Science.gov

Sample records for chemistry derived materials

  1. Nanostructured energetic materials derived from sol-gel chemistry

    SciTech Connect

    Simpson, R L; Tillotson, T M; Hrubesh, L W; Gash, A E

    2000-03-15

    Initiation and detonation properties are dramatically affected by an energetic material's microstructural properties. Sol-gel chemistry allows intimacy of mixing to be controlled and dramatically improved over existing methodologies. One material goal is to create very high power energetic materials which also have high energy densities. Using sol-gel chemistry we have made a nanostructured composite energetic material. Here a solid skeleton of fuel, based on resorcinol-formaldehyde, has nanocrystalline ammonium perchlorate, the oxidizer, trapped within its pores. At optimum stoichiometry it has approximately the energy density of HMX. Transmission electron microscopy indicated no ammonium perchlorate crystallites larger than 20 nm while near-edge soft x-ray absorption microscopy showed that nitrogen was uniformly distributed, at least on the scale of less than 80 nm. Small-angle neutron scattering studies were conducted on the material. Those results were consistent with historical ones for this class of nanostructured materials. The average skeletal primary particle size was on the order of 2.7 nm, while the nanocomposite showed the growth of small 1 nm size crystals of ammonium perchlorate with some clustering to form particles greater than 10 nm.

  2. Photoelectrochemical Hydrogen Production Using New Combinatorial Chemistry Derived Materials

    SciTech Connect

    Jaramillo, Thomas F.; Baeck, Sung-Hyeon; Kleiman-Shwarsctein, Alan; Stucky, Galen D.; McFarland, Eric W.

    2004-10-25

    Solar photoelectrochemical water-splitting has long been viewed as one of the “holy grails” of chemistry because of its potential impact as a clean, renewable method of fuel production. Several known photocatalytic semiconductors can be used; however, the fundamental mechanisms of the process remain poorly understood and no known material has the required properties for cost effective hydrogen production. In order to investigate morphological and compositional variations in metal oxides as they relate to opto-electrochemical properties, we have employed a combinatorial methodology using automated, high-throughput, electrochemical synthesis and screening together with conventional solid-state methods. This report discusses a number of novel, high-throughput instruments developed during this project for the expeditious discovery of improved materials for photoelectrochemical hydrogen production. Also described within this report are results from a variety of materials (primarily tungsten oxide, zinc oxide, molybdenum oxide, copper oxide and titanium dioxide) whose properties were modified and improved by either layering, inter-mixing, or doping with one or more transition metals. Furthermore, the morphologies of certain materials were also modified through the use of structure directing agents (SDA) during synthesis to create mesostructures (features 2-50 nm) that increased surface area and improved rates of hydrogen production.

  3. Synthesis of pentafluorosulfanylpyrazole and pentafluorosulfanyl-1,2,3-triazole and their derivatives as energetic materials by click chemistry.

    PubMed

    Ye, Chengfeng; Gard, Gary L; Winter, Rolf W; Syvret, Robert G; Twamley, Brendan; Shreeve, Jean'ne M

    2007-09-13

    1-Pentafluorosulfanyl acetylene and its derivatives react with azide or diazomethane giving rise to an SF5-substituted 1,2,3-triazole or pyrazole. The SF5 group increases density remarkably and as a result enhances the detonation performance of the energetic materials relative to the CF3 group.

  4. Boron-nitrogen doped carbon scaffolding: organic chemistry, self-assembly and materials applications of borazine and its derivatives.

    PubMed

    Bonifazi, Davide; Fasano, Francesco; Lorenzo-Garcia, M Mercedes; Marinelli, Davide; Oubaha, Hamid; Tasseroul, Jonathan

    2015-10-25

    Discovered by Stock and Pohland in 1926, borazine is the isoelectronic and isostructural inorganic analogue of benzene, where the C[double bond, length as m-dash]C bonds are substituted by B-N bonds. The strong polarity of such heteroatomic bonds widens the HOMO-LUMO gap of the molecule, imparting strong UV-emitting/absorption and electrical insulating properties. These properties make borazine and its derivatives valuable molecular scaffolds to be inserted as doping units in graphitic-based carbon materials to tailor their optoelectronic characteristics, and specifically their semiconducting properties. By guiding the reader through the most significant examples in the field, in this feature paper we describe the past and recent developments in the organic synthesis and functionalisation of borazine and its derivatives. These boosted the production of a large variety of tailored derivatives, broadening their use in optoelectronics, H2 storage and supramolecular functional architectures, to name a few.

  5. Plasma chemistry for inorganic materials

    NASA Technical Reports Server (NTRS)

    Matsumoto, O.

    1980-01-01

    Practical application of plasma chemistry to the development of inorganic materials using both low temperature and warm plasmas are summarized. Topics cover: the surface nitrification and oxidation of metals; chemical vapor deposition; formation of minute oxide particles; the composition of oxides from chloride vapor; the composition of carbides and nitrides; freezing high temperature phases by plasma arc welding and plasma jet; use of plasma in the development of a substitute for petroleum; the production of silicon for use in solar cell batteries; and insulating the inner surface of nuclear fusion reactor walls.

  6. Symposium on high temperature and materials chemistry

    SciTech Connect

    Not Available

    1989-10-01

    This volume contains the written proceedings of the Symposium on High Temperature and Materials Chemistry held in Berkeley, California on October 24--25, 1989. The Symposium was sponsored by the Materials and Chemical Sciences Division of Lawrence Berkeley Laboratory and by the College of Chemistry of the University of California at Berkeley to discuss directions, trends, and accomplishments in the field of high temperature and materials chemistry. Its purpose was to provide a snapshot of high temperature and materials chemistry and, in so doing, to define status and directions.

  7. The Chemistry of Modern Dental Filling Materials.

    ERIC Educational Resources Information Center

    Nicholson, John W.; Anstice, H. Mary

    1999-01-01

    Discusses materials used by dentists to restore teeth after decay has been removed. Shows how dental-material science is an interdisciplinary field in which chemistry plays a major part. Reviews the many developments polymer chemistry has contributed to the field of dental fillings. (CCM)

  8. Chemistry and Materials Science Strategic Plan

    SciTech Connect

    Rhodie, K B; Mailhiot, C; Eaglesham, D; Hartmann-Siantar, C L; Turpin, L S; Allen, P G

    2004-04-21

    Lawrence Livermore National Laboratory's mission is as clear today as it was in 1952 when the Laboratory was founded--to ensure our country's national security and the safety and reliability of its nuclear deterrent. As a laboratory pursuing applied science in the national interest, we strive to accomplish our mission through excellence in science and technology. We do this while developing and implementing sound and robust business practices in an environment that emphasizes security and ensures our safety and the safety of the community around us. Our mission as a directorate derives directly from the Laboratory's charter. When I accepted the assignment of Associate Director for Chemistry and Materials Science (CMS), I talked to you about the need for strategic balance and excellence in all our endeavors. We also discussed how to take the directorate to the next level. The long-range CMS strategic plan presented here was developed with this purpose in mind. It also aligns with the Lab's institutional long-range science and technology plan and its 10-year facilities and infrastructure site plan. The plan is aimed at ensuring that we fulfill our directorate's two governing principles: (1) delivering on our commitments to Laboratory programs and sponsors, and (2) anticipating change and capitalizing on opportunities through innovation in science and technology. This will require us to attain a new level of creativity, agility, and flexibility as we move forward. Moreover, a new level of engagement in partnerships with other directorates across the Laboratory as well as with universities and other national labs will also be required. The group of managers and staff that I chartered to build a strategic plan identified four organizing themes that define our directorate's work and unite our staff with a set of common goals. The plan presented here explains how we will proceed in each of these four theme areas: (1) Materials properties and performance under extreme

  9. 10 years of click chemistry: synthesis and applications of ferrocene-derived triazoles.

    PubMed

    Ganesh, Venkataraman; Sudhir, V Sai; Kundu, Taraknath; Chandrasekaran, Srinivasan

    2011-10-01

    Click chemistry has played a significant role as a rapid and versatile strategy for conjugating two molecular fragments under very mild reaction conditions. Introduction of ferrocene-derived triazole systems using click chemistry has attracted enormous interest in various fields due to its potential applications in electrochemical techniques for detection and sensing. The present discussion focuses on the synthesis of ferrocene-triazole and the importance of using a CuAAC reaction for such conjugation. Applications of ferrocene-based click reactions in conjugate chemistry, asymmetric catalysis, medicinal chemistry, host-guest interactions, and materials chemistry have been highlighted.

  10. Chemistry and materials science research report

    SciTech Connect

    Not Available

    1990-05-31

    The research reported here in summary form was conducted under the auspices of Weapons-Supporting Research (WSR) and Institutional Research and Development (IR D). The period covered is the first half of FY90. The results reported here are for work in progress; thus, they may be preliminary, fragmentary, or incomplete. Research in the following areas are briefly described: energetic materials, tritium, high-Tc superconductors, interfaces, adhesion, bonding, fundamental aspects of metal processing, plutonium, synchrotron-radiation-based materials science, photocatalysis on doped aerogels, laser-induced chemistry, laser-produced molecular plasmas, chemistry of defects, dta equipment development, electronic structure study of the thermodynamic and mechanical properties of Al-Li Alloys, and the structure-property link in sub-nanometer materials.

  11. Calcifying tissue regeneration via biomimetic materials chemistry

    PubMed Central

    Green, David W.; Goto, Tazuko K.; Kim, Kye-Seong; Jung, Han-Sung

    2014-01-01

    Materials chemistry is making a fundamental impact in regenerative sciences providing many platforms for tissue development. However, there is a surprising paucity of replacements that accurately mimic the structure and function of the structural fabric of tissues or promote faithful tissue reconstruction. Methodologies in biomimetic materials chemistry have shown promise in replicating morphologies, architectures and functional building blocks of acellular mineralized tissues dentine, enamel and bone or that can be used to fully regenerate them with integrated cell populations. Biomimetic materials chemistry encompasses the two processes of crystal formation and mineralization of crystals into inorganic formations on organic templates. This review will revisit the successes of biomimetics materials chemistry in regenerative medicine, including coccolithophore simulants able to promote in vivo bone formation. In-depth knowledge of biomineralization throughout evolution informs the biomimetic materials chemist of the most effective techniques for regenerative framework construction exemplified via exploitation of liquid crystals (LCs) and complex self-organizing media. Therefore, a new innovative direction would be to create chemical environments that perform reaction–diffusion exchanges as the basis for building complex biomimetic inorganic structures. This has evolved widely in biology, as have LCs, serving as self-organizing templates in pattern formation of structural biomaterials. For instance, a study is highlighted in which artificially fabricated chiral LCs, made from bacteriophages are transformed into a faithful copy of enamel. While chemical-based strategies are highly promising at creating new biomimetic structures there are limits to the degree of complexity that can be generated. Thus, there may be good reason to implement living or artificial cells in ‘morphosynthesis’ of complex inorganic constructs. In the future, cellular construction is

  12. Calcifying tissue regeneration via biomimetic materials chemistry.

    PubMed

    Green, David W; Goto, Tazuko K; Kim, Kye-Seong; Jung, Han-Sung

    2014-12-01

    Materials chemistry is making a fundamental impact in regenerative sciences providing many platforms for tissue development. However, there is a surprising paucity of replacements that accurately mimic the structure and function of the structural fabric of tissues or promote faithful tissue reconstruction. Methodologies in biomimetic materials chemistry have shown promise in replicating morphologies, architectures and functional building blocks of acellular mineralized tissues dentine, enamel and bone or that can be used to fully regenerate them with integrated cell populations. Biomimetic materials chemistry encompasses the two processes of crystal formation and mineralization of crystals into inorganic formations on organic templates. This review will revisit the successes of biomimetics materials chemistry in regenerative medicine, including coccolithophore simulants able to promote in vivo bone formation. In-depth knowledge of biomineralization throughout evolution informs the biomimetic materials chemist of the most effective techniques for regenerative framework construction exemplified via exploitation of liquid crystals (LCs) and complex self-organizing media. Therefore, a new innovative direction would be to create chemical environments that perform reaction-diffusion exchanges as the basis for building complex biomimetic inorganic structures. This has evolved widely in biology, as have LCs, serving as self-organizing templates in pattern formation of structural biomaterials. For instance, a study is highlighted in which artificially fabricated chiral LCs, made from bacteriophages are transformed into a faithful copy of enamel. While chemical-based strategies are highly promising at creating new biomimetic structures there are limits to the degree of complexity that can be generated. Thus, there may be good reason to implement living or artificial cells in 'morphosynthesis' of complex inorganic constructs. In the future, cellular construction is probably

  13. Chemistry and Materials Science research report

    SciTech Connect

    Not Available

    1991-03-01

    The research reported here in summary form was conducted during the second half of FY90 under the auspices of Weapons-Supporting Research (WSR) and Institutional Research and Development (IR D). The results reported here are for work in progress; as such, they may be preliminary, fragmentary, or incomplete. Areas covered are as follows: Synchrotron-Radiation-Based Materials Science; Fundamental Aspects of Metal Processing; Energetic Materials; Tritium; High-Transition-Temperature Superconductivity; Plutonium; Interfaces, Adhesion, and Bonding; Photocatalysis on Doped Aerogel; Structural Transformation and Precursor Phenomena in Advanced Materials: Theory and Experiments; Laser-Induced Chemistry; Molecular Plasmas; Chemistry of Defects; The Use of Short Pulses with Energetic Materials; NMR Investigations of Crosslinking in Melamine Formaldehyde Aerogels; Surface Magnetism in Ultrathin Films of Fe/Cu(001); Damage Initiation and Accumulation during Fatigue in Metal-Matrix Composites; Reactivity of the V{double bond}O Bond; The Structure-Property Link in Subnanometer Materials; and Thermodynamic and Mechanical Properties of Al-Li alloys.

  14. Shock-induced chemistry in organic materials

    SciTech Connect

    Dattelbaum, Dana M; Sheffield, Steve; Engelke, Ray; Manner, Virginia; Chellappa, Raja; Yoo, Choong - Shik

    2011-01-20

    The combined 'extreme' environments of high pressure, temperature, and strain rates, encountered under shock loading, offer enormous potential for the discovery of new paradigms in chemical reactivity not possible under more benign conditions. All organic materials are expected to react under these conditions, yet we currently understand very little about the first bond-breaking steps behind the shock front, such as in the shock initiation of explosives, or shock-induced reactivity of other relevant materials. Here, I will present recent experimental results of shock-induced chemistry in a variety of organic materials under sustained shock conditions. A comparison between the reactivity of different structures is given, and a perspective on the kinetics of reaction completion under shock drives.

  15. Chemistry and Processing of Nanostructured Materials

    SciTech Connect

    Fox, G A; Baumann, T F; Hope-Weeks, L J; Vance, A L

    2002-01-18

    Nanostructured materials can be formed through the sol-gel polymerization of inorganic or organic monomer systems. For example, a two step polymerization of tetramethoxysilane (TMOS) was developed such that silica aerogels with densities as low as 3 kg/m{sup 3} ({approx} two times the density of air) could be achieved. Organic aerogels based upon resorcinol-formaldehyde and melamine-formaldehyde can also be prepared using the sol-gel process. Materials of this type have received significant attention at LLNL due to their ultrafine cell sizes, continuous porosity, high surface area and low mass density. For both types of aerogels, sol-gel polymerization depends upon the transformation of these monomers into nanometer-sized clusters followed by cross-linking into a 3-dimensional gel network. While sol-gel chemistry provides the opportunity to synthesize new material compositions, it suffers from the inability to separate the process of cluster formation from gelation. This limitation results in structural deficiencies in the gel that impact the physical properties of the aerogel, xerogel or nanocomposite. In order to control the properties of the resultant gel, one should be able to regulate the formation of the clusters and their subsequent cross-linking. Towards this goal, we are utilizing dendrimer chemistry to separate the cluster formation from the gelation so that new nanostructured materials can be produced. Dendrimers are three-dimensional, highly branched macromolecules that are prepared in such a way that their size, shape and surface functionality are readily controlled. The dendrimers will be used as pre-formed clusters of known size that can be cross-linked to form an ordered gel network.

  16. Hazardous Materials Chemistry for the Non-Chemist. Second Edition.

    ERIC Educational Resources Information Center

    Wray, Thomas K.; Enholm, Eric J.

    This book provides a basic introduction for the student to hazardous materials chemistry. Coverage of chemistry, rather than non-chemical hazards, is particularly stressed on a level which the layman can understand. Basic terminology is emphasized at all levels, as are simple chemistry symbols, in order to provide the student with an introductory…

  17. Quantum chemistry study of dielectric materials deposition

    NASA Astrophysics Data System (ADS)

    Widjaja, Yuniarto

    The drive to continually decrease the device dimensions of integrated circuits in the microelectronics industry requires that deposited films approach subnanometer thicknesses. Hence, a fundamental understanding of the physics and chemistry of film deposition is important to obtain better control of the properties of the deposited film. We use ab initio quantum chemistry calculations to explore chemical reactions at the atomic level. Important thermodynamic and kinetic parameters are then obtained, which can then be used as inputs in constructing first-principles based reactor models. Studies of new systems for which data are not available can be conducted as well. In this dissertation, we use quantum chemistry simulations to study the deposition of gate dielectrics for metal-oxide-semiconductor (MOS) devices. The focus of this study is on heterogeneous reactions between gaseous precursors and solid surfaces. Adsorbate-surface interactions introduce additional degrees of complexity compared to the corresponding gas-phase or solid-state reactions. The applicability and accuracy of cluster approximations to represent solid surfaces are first investigated. The majority of our results are obtained using B3LYP density functional theory (DFT). The structures of reactants, products, and transition states are obtained, followed by calculations of thermochemical and kinetic properties. Whenever experimental data are available, qualitative and/or quantitative comparisons are drawn. Atomistic mechanisms and the energetics of several reactions leading to the deposition of SiO2, Si3N4, and potential new high-kappa materials such as ZrO2, HfO2, and Al 2O3 have been explored in this dissertation. Competing reaction pathways are explored for each of the deposition reactions studied. For example, the potential energy surface (PES) for ZrO2 ALD shows that the reactions proceed through a trapping-mediated mechanism, which results in a competition between desorption and decomposition

  18. Quantum Dots: An Experiment for Physical or Materials Chemistry

    ERIC Educational Resources Information Center

    Winkler, L. D.; Arceo, J. F.; Hughes, W. C.; DeGraff, B. A.; Augustine, B. H.

    2005-01-01

    An experiment is conducted for obtaining quantum dots for physical or materials chemistry. This experiment serves to both reinforce the basic concept of quantum confinement and providing a useful bridge between the molecular and solid-state world.

  19. Chemistry of vaporization of refractory materials

    NASA Technical Reports Server (NTRS)

    Gilles, P. W.

    1975-01-01

    A discussion is given of the principles of physical chemistry important in vaporization studies, notably the concepts of equilibrium, phase behavior, thermodynamics, solid solution, and kinetics. The important factors influencing equilibrium vaporization phenomena are discussed and illustrated. A proper course of a vaporization study consisting of 9 stages is proposed. The important experimental techniques of Knudsen effusion, Langmuir vaporization and mass spectrometry are discussed. The principles, the factors, the course of a study and the experimental techniques and procedures are illustrated by recent work on the Ti-O system.

  20. Derivation of plutonium-239 materials disposition categories

    SciTech Connect

    Brough, W.G.

    1995-04-27

    At this time, the Office of Fissile Materials Disposition within the DOE, is assessing alternatives for the disposition of excess fissile materials. To facilitate the assessment, the Plutonium-Bearing Materials Feed Report for the DOE Fissile Materials Disposition Program Alternatives report was written. The development of the material categories and the derivation of the inventory quantities associated with those categories is documented in this report.

  1. Novel self-healing materials chemistries for targeted applications

    NASA Astrophysics Data System (ADS)

    Wilson, Gerald O.

    Self-healing materials of the type developed by White and co-workers [1] were designed to autonomically heal themselves when damaged, thereby extending the lifetime of various applications in which such material systems are employed. The system was based on urea-formaldehyde microcapsules containing dicyclopentadiene (DCPD) and Grubbs' catalyst particles embedded together in an epoxy matrix. When a crack propagates through the material, it ruptures the microcapsules, releasing DCPD into the crack plane, where it comes in contact and reacts with the catalyst to initiate a ring opening metathesis polymerization (ROMP), bonding the crack and restoring structural continuity. The present work builds on this concept in several ways. Firstly, it expands the scope and versatility of the ROMP self-healing chemistry by incorporation into epoxy vinyl ester matrices. Major technical challenges in this application include protection of the catalyst from deactivation by aggressive curing agents, and optimization of the concentration of healing agents in the matrix. Secondly, new ruthenium catalysts are evaluated for application in ROMP-based self-healing materials. The use of alternative derivatives of Grubbs' catalyst gave rise to self-healing systems with improved healing efficiencies and thermal properties. Evaluation of the stability of these new catalysts to primary amine curing agents used in the curing of common epoxy matrices also led to the discovery and characterization of new ruthenium catalysts which exhibited ROMP initiation kinetics superior to those of first and second generation Grubbs' catalysts. Finally, free radical polymerization was evaluated for application in the development of bio-compatible self-healing materials. [1] White, S. R.; Sottos, N. R.; Geubelle, P. R.; Moore, J. S.; Kessler, M. R.; Sriram, S. R.; Brown, E. N.; Viswanathan, S. Nature 2001, 409, 794.

  2. Chemistry-Materials Laboratory Project Book, 1979-80.

    ERIC Educational Resources Information Center

    Connecticut State Dept. of Education, Hartford. Bureau of Vocational-Technical Schools.

    This Chemistry-Materials Laboratory Project Book, assembled through a survey of science instructors in vocational-technical schools in Connecticut, is intended to meet a variety of needs. It can serve as an idea book, with the instructor taking from it as needed and adding or substituting material related to class interests; as a guide book for…

  3. Aerogel Derived Nanostructured Thermoelectric Materials

    SciTech Connect

    Wendell E Rhine, PI; Dong, Wenting; Greg Caggiano, PM

    2010-10-08

    America’s dependence on foreign sources for fuel represents a economic and security threat for the country. These non renewable resources are depleting, and the effects of pollutants from fuels such as oil are reaching a problematic that affects the global community. Solar concentration power (SCP) production systems offer the opportunity to harness one of the United States’ most under utilized natural resources; sunlight. While commercialization of this technology is increasing, in order to become a significant source of electricity production in the United States the costs of deploying and operating SCP plants must be further reduced. Parabolic Trough SCP technologies are close to meeting energy production cost levels that would raise interest in the technology and help accelerate its adoption as a method to produce a significant portion of the Country’s electric power needs. During this program, Aspen Aerogels will develop a transparent aerogel insulation that can replace the costly vacuum insulation systems that are currently used in parabolic trough designs. During the Phase I program, Aspen Aerogels will optimize the optical and thermal properties of aerogel to meet the needs of this application. These properties will be tested, and the results will be used to model the performance of a parabolic trough HCE system which uses this novel material in place of vacuum. During the Phase II program, Aspen Aerogels will scale up this technology. Together with industry partners, Aspen Aerogels will build and test a prototype Heat Collection Element that is insulated with the novel transparent aerogel material. This new device will find use in parabolic trough SCP applications.

  4. Chemistry of electronic ceramic materials. Proceedings of the International Conference on the Chemistry of Electronic Ceramic Materials

    NASA Technical Reports Server (NTRS)

    Davies, P. K.; Roth, R. S.

    1991-01-01

    The conference was held at Jackson Hole, Wyoming from August 17 to 22, 1990, and in an attempt to maximize the development of this rapidly moving, multidisciplinary field, this conference brought together major national and international researchers to bridge the gap between those primarily interested in the pure chemistry of inorganic solids and those interested in the physical and electronic properties of ceramics. With the many major discoveries that have occurred over the last decade, one of the goals of this meeting was to evaluate the current understanding of the chemistry of electronic ceramic materials, and to assess the state of a field that has become one of the most important areas of advanced materials research. The topics covered include: crystal chemistry; dielectric ceramics; low temperature synthesis and characterization; solid state synthesis and characterization; surface chemistry; superconductors; theory and modeling.

  5. 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

  6. Teaching General Chemistry: A Materials Science Companion.

    ERIC Educational Resources Information Center

    Ellis, Arthur B.; And Others

    Many teachers and other educators have expressed a concern regarding the lack of student interest in many of the traditional science courses. To help rectify this problem a collaborative effort among educators and others concerned has led to the development of instructional materials that are more relevant to the lives of students. This document…

  7. Mussel-Inspired Materials: Self-Healing through Coordination Chemistry.

    PubMed

    Krogsgaard, Marie; Nue, Vicki; Birkedal, Henrik

    2016-01-18

    Improved understanding of the underwater attachment strategy of the blue mussels and other marine organisms has inspired researchers to find new routes to advanced materials. Mussels use polyphenols, such as the catechol-containing amino acid 3,4-dihydroxyphenylalanine (DOPA), to attach to surfaces. Catechols and their analogues can undergo both oxidative covalent cross-linking under alkaline conditions and take part in coordination chemistry. The former has resulted in the widespread use of polydopamine and related materials. The latter is emerging as a tool to make self-healing materials due to the reversible nature of coordination bonds. We review how mussel-inspired materials have been made with a focus on the less developed use of metal coordination and illustrate how this chemistry can be widely to make self-healing materials.

  8. Expandable-graphite-derived graphene for next-generation battery chemistries

    NASA Astrophysics Data System (ADS)

    Zu, Chenxi; Li, Longjun; Qie, Long; Manthiram, Arumugam

    2015-06-01

    Lithium-sulfur and lithium-air batteries offer theoretical energy densities an order of magnitude higher than that of current lithium-ion batteries and are considered as promising candidates as the next-generation battery chemistries. For an efficient use of these new battery chemistries, careful selection of suitable electrode materials/structures is critical. Graphene, a unique two-dimensional nanomaterial, with its superior electronic conductivity, mechanical strength, and flexibility has been successfully applied in battery studies. Graphene, even with imperfect layers, will be of great interest to battery industrial applications if the manufacturing cost is reduced. Herein, we demonstrate the application of low-cost graphene sponge/sheets derived from expandable graphite in both lithium-sulfur and hybrid lithium-air batteries, respectively, as a cathode conductive matrix to accommodate the soluble polysulfides and as a catalyst for the oxygen reduction reaction. High utilization of active materials and good cycling stability are realized in lithium-sulfur and hybrid lithium-air batteries by employing this low-cost material, demonstrating its promise for use in next-generation battery chemistries.

  9. The Chemistry of Ultra-Radiopure Materials

    SciTech Connect

    Miley, Harry S.; Aalseth, Craig E.; Day, Anthony R.; Farmer, Orville T.; Fast, Jim E.; Hoppe, Eric W.; Hossbach, Todd W.; Litke, Kevin E.; McIntyre, Justin I.; Miller, Erin A.; Seifert, Allen; Warren, Glen A.

    2007-11-15

    Ultra-pure materials are needed for the construction of the next generation of ultra-low level radiation detectors. These detectors are used for environmental research as well as rare nuclear decay experiments, e.g. probing the effective mass and character of the neutrino. Unfortunately, radioactive isotopes are found in most construction materials, either primordial isotopes, activation/spallation products from cosmic-ray exposure, or surface deposition of dust or radon progeny. Copper is an ideal candidate material for these applications. High-purity copper is commercially available and, when even greater radiopurity is needed, additional electrochemical purification can be combined with the final construction step, resulting in “electroformed” copper of extreme purity. Copper also offers desirable thermal, mechanical, and electrical properties. To bridge the gap between commercially-available high purity copper and the most stringent requirements of next-generation low-background experiments, a method of additional chemical purification is being developed based on well-known copper electrochemistry. This method is complemented with the co-development of surface cleaning techniques and more sensitive assay for both surface and bulk contamination. Developments in the electroplating of copper, surface cleaning, assay of U and Th in the bulk copper, and residual surface contamination will be discussed relative to goals of less than 1 microBq/kg Th.

  10. Sponge derived bromotyrosines: structural diversity through natural combinatorial chemistry.

    PubMed

    Niemann, Hendrik; Marmann, Andreas; Lin, Wenhan; Proksch, Peter

    2015-01-01

    Sponge derived bromotyrosines are a multifaceted class of marine bioactive compounds that are important for the chemical defense of sponges but also for drug discovery programs as well as for technical applications in the field of antifouling constituents. These compounds, which are mainly accumulated by Verongid sponges, exhibit a diverse range of bioactivities including antibiotic, cytotoxic and antifouling effects. In spite of the simple biogenetic building blocks, which consist only of brominated tyrosine and tyramine units, an impressive diversity of different compounds is obtained through different linkages between these precursors and through structural modifications of the side chains and/or aromatic rings resembling strategies that are known from combinatorial chemistry. As examples for bioactive, structurally divergent bromotyrosines psammaplin A, Aplysina alkaloids featuring aerothionin, aeroplysinin-1 and the dienone, and the bastadins, including the synthetically derived hemibastadin congeners, have been selected for this review. Whereas all of these natural products are believed to be involved in the chemical defense of sponges, some of them may also be of particular relevance to drug discovery due to their interaction with specific molecular targets in eukaryotic cells. These targets involve important enzymes and receptors, such as histone deacetylases (HDAC) and DNA methyltransferases (DNMT), which are inhibited by psammaplin A, as well as ryanodine receptors that are targeted by bastadine type compounds. The hemibastadins such as the synthetically derived dibromohemibastadin are of particular interest due to their antifouling activity. For the latter, a phenoloxidase which catalyzes the bioglue formation needed for firm attachment of fouling organisms to a given substrate was identified as a molecular target. The Aplysina alkaloids finally provide a vivid example for dynamic wound induced bioconversions of natural products that generate highly

  11. Design Guidelines for Digital Learning Material for Food Chemistry Education.

    ERIC Educational Resources Information Center

    Diederen, Julia; Gruppen, Harry; Voragen, Alphons G. J.; Hartog, Rob; Mulder, Martin; Biemans, Harm

    This paper describes the first stage of a 4-year research project on the design, development and use of Web-based digital learning material for food chemistry education. The paper discusses design guidelines, based on principles that were selected from theories on learning and instruction, and illustrates in detail how these guidelines were used…

  12. Chemistry with Inexpensive Materials: Spray Bottles and Plastic Bags.

    ERIC Educational Resources Information Center

    Zoltewicz, Susan

    1993-01-01

    Presents eight chemistry activities that are interesting and involve simple, easily available materials. Topics include mystery writing, valentine hearts, flame tests, evaporation race, buoyancy versus mass, determination of relative masses of gases, mole sample container, and cold and hot packs. (DDR)

  13. Materials, Chemistry, and Simulation for Future Energy Technology.

    PubMed

    Aguey-Zinsou, Kondo-Francois; Wang, Da-Wei; Su, Dang-Sheng

    2015-09-01

    Special Issue: The Future of Energy. The science and engineering of clean energy now is becoming a multidisciplinary area, typically when new materials, chemistry, or mechanisms are met. "Trial and error" is the past. Exploration of new concepts for future clean energy can be accomplished through computer-aided materials design and reaction simulation, thanks to innovations in information technologies. This special issue, a fruit of the Energy Future Conference organized by UNSW Australia, has compiled some excellent examples of such approaches.

  14. Chemistry and Materials Science, 1990--1991. [Second annual report

    SciTech Connect

    Sugihara, T.T.; Bruner, J.M.; McElroy, L.A.

    1991-12-31

    This 2-year (FY 1990-91) contains 49 technical articles in ten sections: research sampler, metals and alloys, energetic materials, chemistry and physics of advanced materials, bonding and reactions at surfaces and interfaces, superconductivity, energy R and D, waste processing and management, characterization and analysis, and facilities and instrumentation. Two more sections list department personnel, their publications etc., consultants, and summary of department budgets. The articles are processed separately for the data base. (DLC)

  15. Bioinspired Interfaces with Superwettability: From Materials to Chemistry.

    PubMed

    Su, Bin; Tian, Ye; Jiang, Lei

    2016-02-17

    Superwettability is a special case of the wetting phenomenon among liquids, gases, and solids. The superhydrophobic/superhydrophilic effect discovered initially has undergone a century of development based on materials science and biomimetics. With the rapid development of research on anti-wetting materials, superoleophobic/superoleophilic surfaces have been fabricated to repel organic liquids besides water. Further studies of underwater superoleophobic/superoleophilic/superaerophobic/superaerophilic materials provide an alternative way to fabricate anti-wetting surfaces rather than lowering the surface energy. Owing to a series of efforts on the studying of extreme wettabilities, a mature superwettability system gradually evolved and has since become a vibrant area of active research, covering topics of superhydrophobicity/superhydrophilicity, superoleophobicity/superoleophilicity in gas or under liquid, superaerophobicity/superaerophilicity under liquid, and combinations of these states. The kinetic study of the superwettability system includes statics and dynamics, while the studied material structures range from traditional two-dimensional materials to three-dimensional, one-dimensional, and zero-dimensional materials. Furthermore, the wetting liquids range from water to oil, aqueous solutions, and ionic liquids, as well as liquid crystals and other types of liquids. The wetting conditions extend over a wide range of temperatures, pressures, and other external fields. With the development of this series of research, many new theories and functional interfacial materials have been fabricated, including self-cleaning textiles, oil/water separation systems, and water collection systems, and some of these have already been applied in industry. Moreover, the study of superwettability has also introduced many new phenomena and principles to the field of interfacial chemistry that display its vast potential in both materials and chemistry. The present Perspective aims

  16. Bioinspired Interfaces with Superwettability: From Materials to Chemistry.

    PubMed

    Su, Bin; Tian, Ye; Jiang, Lei

    2016-02-17

    Superwettability is a special case of the wetting phenomenon among liquids, gases, and solids. The superhydrophobic/superhydrophilic effect discovered initially has undergone a century of development based on materials science and biomimetics. With the rapid development of research on anti-wetting materials, superoleophobic/superoleophilic surfaces have been fabricated to repel organic liquids besides water. Further studies of underwater superoleophobic/superoleophilic/superaerophobic/superaerophilic materials provide an alternative way to fabricate anti-wetting surfaces rather than lowering the surface energy. Owing to a series of efforts on the studying of extreme wettabilities, a mature superwettability system gradually evolved and has since become a vibrant area of active research, covering topics of superhydrophobicity/superhydrophilicity, superoleophobicity/superoleophilicity in gas or under liquid, superaerophobicity/superaerophilicity under liquid, and combinations of these states. The kinetic study of the superwettability system includes statics and dynamics, while the studied material structures range from traditional two-dimensional materials to three-dimensional, one-dimensional, and zero-dimensional materials. Furthermore, the wetting liquids range from water to oil, aqueous solutions, and ionic liquids, as well as liquid crystals and other types of liquids. The wetting conditions extend over a wide range of temperatures, pressures, and other external fields. With the development of this series of research, many new theories and functional interfacial materials have been fabricated, including self-cleaning textiles, oil/water separation systems, and water collection systems, and some of these have already been applied in industry. Moreover, the study of superwettability has also introduced many new phenomena and principles to the field of interfacial chemistry that display its vast potential in both materials and chemistry. The present Perspective aims

  17. New norbornyl derivatives as woody fragrant materials.

    PubMed

    Muratore, Agnès; Duñach, Elisabet; Clinet, Jean-Claude; Plessis, Caroline

    2008-06-01

    The optimization of a Diels-Alder reaction to prepare a novel ketone bearing a 2,3-dimethylnorbornyl group is presented together with the structure elucidation of the isomers. Employing this new ketone as starting material, derivatives with new woody odor notes as well as attempts to obtain ambery-musky odorants are reported.

  18. Lignin-Derived Advanced Carbon Materials.

    PubMed

    Chatterjee, Sabornie; Saito, Tomonori

    2015-12-01

    Lignin is a highly abundant source of renewable carbon that can be considered as a valuable sustainable source of biobased materials. By applying specific pretreatments and manufacturing methods, lignin can be converted into a variety of value-added carbon materials. However, the physical and chemical heterogeneities of lignin complicate its use as a feedstock. Herein lignin manufacturing process, the effects of pretreatments and manufacturing methods on the properties of product lignin, and structure-property relationships in various applications of lignin-derived carbon materials, such as carbon fibers, carbon mats, activated carbons, carbon films, and templated carbon, are discussed.

  19. Lignin-Derived Advanced Carbon Materials

    SciTech Connect

    Chatterjee, Sabornie; Saito, Tomonori

    2015-11-16

    Lignin is a highly abundant source of renewable carbon that can be considered as a valuable sustainable source of biobased materials. By applying specific pretreatments and manufacturing methods, it has been found that lignin can be converted into a variety of value-added carbon materials. However, the physical and chemical heterogeneities of lignin complicate its use as a feedstock. Herein, we discuss the lignin manufacturing process, the effects of pretreatments and manufacturing methods on the properties of product lignin, and structure–property relationships in various applications of lignin-derived carbon materials, such as carbon fibers, carbon mats, activated carbons, carbon films, and templated carbon.

  20. Bioactive benzofuran derivatives: moracins A-Z in medicinal chemistry.

    PubMed

    Naik, Ravi; Harmalkar, Dipesh S; Xu, Xuezhen; Jang, Kyusic; Lee, Kyeong

    2015-01-27

    Benzofuran heterocycles are fundamental structural units in a variety of biologically active natural products as well as synthetic materials. Over the time, benzofuran derivatives have attracted many researchers due to the broad scope of their biological activity, which include anticancer, antimicrobial, immunomodulatory, antioxidant and anti-inflammatory properties. Egonol, homoegonol and moracin families are biologically active natural products containing benzofuran heterocycle as basic structural units. This paper focuses on the moracin family (moracin A to Z). Morus, a genus of flowering plants in the family Moraceae, comprises 10-16 species of deciduous trees commonly known as mulberries. The root bark, stem bark and leaves of Morus alba, M. lhou, Morus macroura are the main sources for arylbenzofuran derivatives including the moracins. A large volume of research has been carried out on moracins and their derivatives, which has shown the pharmacological importance of this benzofuran heterocyclic nucleus. In this mini-review, we attempt to highlight the importance of moracins, as they have been a major source for drug development. Herein, we also summarize the current state of the art concerning the synthesis and medicinal use of moracins A-Z.

  1. Indoor Chemistry: Materials, Ventilation Systems, and Occupant Activities

    SciTech Connect

    Morrison, G.C.; Corsi, R.L.; Destaillats, H.; Nazaroff, W.W.; Wells, J.R.

    2006-05-01

    Chemical processes taking place in indoor environments can significantly alter the nature and concentrations of pollutants. Exposure to secondary contaminants generated in these reactions needs to be evaluated in association with many aspects of buildings to minimize their impact on occupant health and well-being. Focusing on indoor ozone chemistry, we describe alternatives for improving indoor air quality by controlling chemical changes related to building materials, ventilation systems, and occupant activities.

  2. Chemistry and Materials Science 2004 Annual Report, Preview Edition

    SciTech Connect

    Shang, S; Diaz de la Rubia, T; Rennie, G

    2005-05-16

    Thriving from change is a constant element at LLNL. Through our commitment to scientific accomplishments, we have met the challenges posed by our evolving missions in 2004. It is the scientific breakthroughs that substantiate our strategic directions. Investments based on our strategic directions are bearing fruit, as illustrated in this preview of the 2004 Annual Report. We describe how our science is built around a strategic plan with four organizing themes: {sm_bullet} Materials properties and performance under extreme conditions {sm_bullet} Chemistry under extreme conditions and chemical engineering in support of national-security programs {sm_bullet} Science supporting national objectives at the intersection of chemistry, materials science, and biology {sm_bullet} Applied nuclear science for human health and national security We are particularly pleased with achievements within the 'intersection of chemistry, materials science, and biology,' an emerging area of science that may reshape the landscape of our national-security mission. CMS continues to have an unambiguous role both as a technology leader and as a partner for all of the four theme areas. We look forward to expanding the frontiers of science and continuing our partnership with the worldwide scientific community, as we firmly respond to the changing environment with agility and flexibility.

  3. Materials Chemistry and Performance of Silicone-Based Replicating Compounds.

    SciTech Connect

    Brumbach, Michael T.; Mirabal, Alex James; Kalan, Michael; Trujillo, Ana B; Hale, Kevin

    2014-11-01

    Replicating compounds are used to cast reproductions of surface features on a variety of materials. Replicas allow for quantitative measurements and recordkeeping on parts that may otherwise be difficult to measure or maintain. In this study, the chemistry and replicating capability of several replicating compounds was investigated. Additionally, the residue remaining on material surfaces upon removal of replicas was quantified. Cleaning practices were tested for several different replicating compounds. For all replicating compounds investigated, a thin silicone residue was left by the replica. For some compounds, additional inorganic species could be identified in the residue. Simple solvent cleaning could remove some residue.

  4. Materials, Chemistry, and Simulation for Future Energy Technology.

    PubMed

    Aguey-Zinsou, Kondo-Francois; Wang, Da-Wei; Su, Dang-Sheng

    2015-09-01

    Special Issue: The Future of Energy. The science and engineering of clean energy now is becoming a multidisciplinary area, typically when new materials, chemistry, or mechanisms are met. "Trial and error" is the past. Exploration of new concepts for future clean energy can be accomplished through computer-aided materials design and reaction simulation, thanks to innovations in information technologies. This special issue, a fruit of the Energy Future Conference organized by UNSW Australia, has compiled some excellent examples of such approaches. PMID:26331374

  5. Tooth-derived bone graft material

    PubMed Central

    Kim, Young-Kyun; Lee, Junho; Kim, Kyung-Wook; Murata, Masaru; Akazawa, Toshiyuki; Mitsugi, Masaharu

    2013-01-01

    With successful extraction of growth factors and bone morphogenic proteins (BMPs) from mammalian teeth, many researchers have supported development of a bone substitute using tooth-derived substances. Some studies have also expanded the potential use of teeth as a carrier for growth factors and stem cells. A broad overview of the published findings with regard to tooth-derived regenerative tissue engineering technique is outlined. Considering more than 100 published papers, our team has developed the protocols and techniques for processing of bone graft material using extracted teeth. Based on current studies and studies that will be needed in the future, we can anticipate development of scaffolds, homogenous and xenogenous tooth bone grafts, and dental restorative materials using extracted teeth. PMID:24471027

  6. Coordination chemistry and applications of versatile 4,5-diazafluorene derivatives.

    PubMed

    Annibale, Vincent T; Song, Datong

    2016-01-01

    This perspective review will examine the coordination chemistry and applications of metal complexes of 4,5-diazafluorene derivatives. The versatile derivatives of 4,5-diazafluorene can serve multiple roles, and display a number of coordination modes. The ambidentate derivatives with multiple coordination sites can allow for the syntheses of coordination polymers, multimetallic, and macrocyclic complexes. In addition, certain 4,5-diazafluorene derivatives can serve as spectator ligands to support reactivity at the metal centre, or as reactive actor ligands engaging in atypical reactivity patterns. The applications of metal complexes of 4,5-diazafluorene derivatives in catalysis, photochemistry and photophysics, as well as in bioinorganic chemistry are also surveyed.

  7. 77 FR 14022 - Guidance for Industry on Chemistry, Manufacturing, and Controls Information-Fermentation-Derived...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-08

    ... INFORMATION: I. Background In the Federal Register of March 14, 2011 (76 FR 13629), FDA published the notice... HUMAN SERVICES Food and Drug Administration Guidance for Industry on Chemistry, Manufacturing, and... entitled ``Chemistry, Manufacturing, and Controls (CMC) Information-- Fermentation-Derived...

  8. Coordination chemistry and biological activity of 5'-OH modified quinoline-B12 derivatives.

    PubMed

    Zelenka, Karel; Brandl, Helmut; Spingler, Bernhard; Zelder, Felix

    2011-10-14

    The consequences of structural modifications at the 5'-OH ribofuranotide moiety of quinoline modified B12 derivatives are discussed in regard of the coordination chemistry, the electrochemical properties and the biological behaviour of the compound.

  9. Lignin-Derived Advanced Carbon Materials

    DOE PAGES

    Chatterjee, Sabornie; Saito, Tomonori

    2015-11-16

    Lignin is a highly abundant source of renewable carbon that can be considered as a valuable sustainable source of biobased materials. By applying specific pretreatments and manufacturing methods, it has been found that lignin can be converted into a variety of value-added carbon materials. However, the physical and chemical heterogeneities of lignin complicate its use as a feedstock. Herein, we discuss the lignin manufacturing process, the effects of pretreatments and manufacturing methods on the properties of product lignin, and structure–property relationships in various applications of lignin-derived carbon materials, such as carbon fibers, carbon mats, activated carbons, carbon films, and templatedmore » carbon.« less

  10. Vehicle exhaust treatment using electrical discharge and materials chemistry

    SciTech Connect

    Tonkyn, R.G.; Balmer, M.L.; Barlow, S.E.; Orlando, T.M.; Goulette, D.; Hoard, J.

    1997-12-31

    Current 3-way catalytic converters have proven quite effective at removing NO{sub x} from the exhaust of spark ignition vehicles operating near stoichiometric air-to-fuel ratios. However, diesel engines typically operate at very high air-to-fuel ratios. Under such lean burn conditions current catalytic converters are ineffective for NO{sub x} removal. As a result, considerable effort has been made to develop a viable lean NO{sub x} catalyst. Although some materials have been shown to reduce NO{sub x} under lean burn conditions, none exhibit the necessary activity and stability at the high temperatures and humidities found in typical engine exhaust,. As a result, alternative technologies are being explored in an effort to solve the so-called lean NO{sub x} problem. Packed-bed barrier discharge systems are well suited to take advantage of plasma-surface interactions due to the large number of contaminant surface collisions in the bed. The close proximity of the active surface to transient species produced by the plasma may lead to favorable chemistry at considerably lower temperatures than required by thermal catalysts. The authors present data in this paper illustrating that the identity and surface properties of the packing material can alter the discharge-driven chemistry in synthetic leanburn exhaust mixtures. Results using non-porous glass beads as the packing material suggest the limits of NO{sub x} reduction using purely gas phase discharge chemistry. By comparison, encouraging results are reported for several alternative packing materials.

  11. Forensic Chemistry

    NASA Astrophysics Data System (ADS)

    Bell, Suzanne

    2009-07-01

    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.

  12. Materials Science and Materials Chemistry for Large Scale Electrochemical Energy Storage: From Transportation to Electrical Grid

    SciTech Connect

    Liu, Jun; Zhang, Jiguang; Yang, Zhenguo; Lemmon, John P.; Imhoff, Carl H.; Graff, Gordon L.; Li, Liyu; Hu, Jian Z.; Wang, Chong M.; Xiao, Jie; Xia, Guanguang; Viswanathan, Vilayanur V.; Baskaran, Suresh; Sprenkle, Vincent L.; Li, Xiaolin; Shao, Yuyan; Schwenzer, Birgit

    2013-02-15

    Large-scale electrical energy storage has become more important than ever for reducing fossil energy consumption in transportation and for the widespread deployment of intermittent renewable energy in electric grid. However, significant challenges exist for its applications. Here, the status and challenges are reviewed from the perspective of materials science and materials chemistry in electrochemical energy storage technologies, such as Li-ion batteries, sodium (sulfur and metal halide) batteries, Pb-acid battery, redox flow batteries, and supercapacitors. Perspectives and approaches are introduced for emerging battery designs and new chemistry combinations to reduce the cost of energy storage devices.

  13. Student Use of Web-Based Tutorial Materials and Understanding of Chemistry Concepts

    ERIC Educational Resources Information Center

    Donovan, William; Nakhleh, Mary

    2007-01-01

    This article reports the findings of Phase II of our study of student use of web-based tutorial materials for general chemistry and student understanding of chemistry concepts. We have found that students who use the web site valued the aspects of visualization of chemistry concepts and availability of materials online. In our analysis of student…

  14. Chemistry and Materials Science Directorate 2005 Annual Report

    SciTech Connect

    Diaz De La Rubia, T; Fluss, M J; Rath, K; Rennie, G; Shang, S; Kitrinos, G

    2006-08-08

    In 1952, we began laboratory operations in the barracks building of the Naval Air Station with approximately 50 employees. Today, the Chemistry and Materials Science (CMS) Directorate is a major organization at the Lawrence Livermore National Laboratory with more than 500 employees who continue to contribute to our evolving national security mission. For more than half a century, the mission of the Laboratory revolved primarily around nuclear deterrence and associated defense technologies. Today, Livermore supports a broad-based national security mission, and our specialized capabilities increasingly support emerging missions in human health and energy security. In the future, CMS will play a significantly expanded role in science and technology at the intersection of national security, energy and environment, and health. Our world-class workforce will provide the science and technology base for radically innovative materials to our programs and sponsors. Our 2005 Annual Report describes how our successes and breakthroughs follow a path set forward by our strategic plan and four organizing research themes, each with key scientific accomplishments by our staff and collaborators. Organized into two major sections-research themes and dynamic teams, this report focuses on achievements arising from earlier investments that address future challenges. The research presented in this annual report gives substantive examples of how we are proceeding in each of these four theme areas and how they are aligned with our national security mission. Research Themes: (1) Materials Properties and Performance under Extreme Conditions--We are developing ultrahard nanocrystalline metals, exploring the properties of nanotubes when exposed to very high temperatures, and engineering stronger materials to meet future needs for materials that can withstand extreme conditions. (2) Chemistry under Extreme Conditions and Chemical Engineering to Support National-Security Programs--Our recent

  15. Engineering half-Heusler thermoelectric materials using Zintl chemistry

    NASA Astrophysics Data System (ADS)

    Zeier, Wolfgang G.; Schmitt, Jennifer; Hautier, Geoffroy; Aydemir, Umut; Gibbs, Zachary M.; Felser, Claudia; Snyder, G. Jeffrey

    2016-06-01

    Half-Heusler compounds based on XNiSn and XCoSb (X = Ti, Zr or Hf) have rapidly become important thermoelectric materials for converting waste heat into electricity. In this Review, we provide an overview on the electronic properties of half-Heusler compounds in an attempt to understand their basic structural chemistry and physical properties, and to guide their further development. Half-Heusler compounds can exhibit semiconducting transport behaviour even though they are described as ‘intermetallic’ compounds. Therefore, it is most useful to consider these systems as rigid-band semiconductors within the framework of Zintl (or valence-precise) compounds. These considerations aid our understanding of their properties, such as the bandgap and low hole mobility because of interstitial Ni defects in XNiSn. Understanding the structural and bonding characteristics, including the presence of defects, will help to develop different strategies to improve and design better half-Heusler thermoelectric materials.

  16. Methane as raw material in synthetic chemistry: the final frontier.

    PubMed

    Caballero, Ana; Pérez, Pedro J

    2013-12-01

    In spite of its large availability in natural or shale gas deposits, the use of methane in the chemical industry as feedstock from a synthetic point of view yet constitutes a challenge in modern chemistry. Only the production of the so-called syngas, a mixture of CO and H2 derived from the complete cleavage of the methane molecule, operates at the industrial level. The relevance of methane in the current industry, mainly toward methanol production, is described in this Tutorial. The methanol economy has been already proposed as an alternative to current fuel sources. Methanol synthesis directly from methane would imply the activation of the latter. Toward this end, the different methodologies reported to activate methane with transition metal complexes as well as the few examples of the catalytic functionalization of methane are presented.

  17. Direct Energy Conversion: Chemistry, Physics, Materials Science and Thermoelectrics.

    NASA Astrophysics Data System (ADS)

    Kanatzidis, Mercouri

    2006-03-01

    Interest in all-solid-state thermal to electrical conversion has been steadily increasing in recent years and this has been coinciding with an increasing recognition of rising energy demands in the future. Thus there is now renewed awareness of the need to find new energy sources and make conservation efforts more efficient. In this context thermoelectric materials seem poised to have an impact. Research is needed to understand at the fundamental level the scientific issues that are crucial in designing and discovering new highly efficient thermoelectrics. The progress in the field of thermoelectrics has been significant both at the concept level and at the materials discovery level thanks to a convergence of chemistry, physics and materials science efforts. I will describe how each of these disciplines impact each other to produce synergies that propel advances in this area. I will present recent progress in novel nanostructured chalcogenide materials that stimulate new experimentation and hold considerable promise for higher efficiencies in heat to electricity conversion.

  18. 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.

  19. Controlled Chemistry Helium High Temperature Materials Test Loop

    SciTech Connect

    Richard N. WRight

    2005-08-01

    A system to test aging and environmental effects in flowing helium with impurity content representative of the Next Generation Nuclear Plant (NGNP) has been designed and assembled. The system will be used to expose microstructure analysis coupons and mechanical test specimens for up to 5,000 hours in helium containing potentially oxidizing or carburizing impurities controlled to parts per million levels. Impurity levels in the flowing helium are controlled through a feedback mechanism based on gas chromatography measurements of the gas chemistry at the inlet and exit from a high temperature retort containing the test materials. Initial testing will focus on determining the nature and extent of combined aging and environmental effects on microstructure and elevated temperature mechanical properties of alloys proposed for structural applications in the NGNP, including Inconel 617 and Haynes 230.

  20. Monitoring the chemistry and materials of the Magma binary-cycle generating plant

    SciTech Connect

    Shannon, D.W.; Elmore, R.P.; Pierce, D.D.

    1981-10-01

    This monitoring program includes studies of the following areas: chemistry of the geothermal brine, chemistry of the cooling water, corrosion of materials in both water systems, scale formation, suspended solids in th brine, and methods and instruments to monitor corrosion and chemistry. (MHR)

  1. The Development of Innovative Chemistry Learning Material for Bilingual Senior High School Students in Indonesia

    ERIC Educational Resources Information Center

    Situmorang, Manihar; Sitorus, Marham; Hutabarat, Wesly; Situmorang, Zakarias

    2015-01-01

    The development of innovative chemistry learning material for bilingual Senior High School (SHS) students in Indonesia is explained. The study is aimed to obtain an innovative chemistry learning material based on national curriculum in Indonesia to be used as a learning media in the teaching and learning activities. The learning material is…

  2. Chemistry and Materials Science Department annual report, 1988--1989

    SciTech Connect

    Borg, R.J.; Sugihara, T.T.; Cherniak, J.C.; Corey, C.W.

    1989-12-31

    This is the first annual report of the Chemistry & Materials Science (C&MS) Department. The principal purpose of this report is to provide a concise summary of our scientific and technical accomplishments for fiscal years 1988 and 1989. The report is also tended to become part of the archival record of the Department`s activities. We plan to publish future editions annually. The activities of the Department can be divided into three broad categories. First, C&MS staff are assigned by the matrix system to work directly in a program. These programmatic assignments typically involve short deadlines and critical time schedules. A second category is longer-term research and development in technologies important to Laboratory programs. The focus and direction of this technology-base work are generally determined by programmatic needs. Finally, the Department manages its own research program, mostly long-range in outlook and basic in orientation. These three categories are not mutually exclusive but form a continuum of technical activities. Representative examples of all three are included in this report. The principal subject matter of this report has been divided into six sections: Innovations in Analysis and Characterization, Advanced Materials, Metallurgical Science and Technology, Surfaces and Interfaces, Energetic Materials and Chemical Synthesis, and Energy-Related Research and Development.

  3. Chemistry {ampersand} Materials Science progress report summary of selected research and development topics, FY97

    SciTech Connect

    Newkirk, L.

    1997-12-01

    This report contains summaries of research performed in the Chemistry and Materials Science division. Topics include Metals and Ceramics, High Explosives, Organic Synthesis, Instrument Development, and other topics.

  4. Explosive Chemistry: Simulating the Chemistry of Energetic Materials at Extreme Conditions

    SciTech Connect

    Reed, E J; Manaa, M R; Fried, L E

    2003-11-18

    In the brief instant of a high-explosive detonation, the shock wave produces a pressure 500,000 times that of the Earth's atmosphere, the detonation wave travels as fast as 10 kilometers per second, and internal temperatures soar up to 5,500 Kelvin. As the shock propagates through the energetic material, the rapid heating coupled with compression that results in almost 30% volume reduction, initiate complex chemical reactions. A dense, highly reactive supercritical fluid is established behind the propagating detonation front. Energy release from the exothermic chemical reactions serve in turn to drive and sustain the detonation process until complete reactivity is reached. Several experimental results suggest the existence of strong correlations between the applied mechanical stress and shocks, the local heterogeneity and defects (dislocations, vacancies, cracks, impurities, etc.), and the onset of chemical reactions. The reaction chemistry of energetic materials at high pressure and temperature is, therefore, of considerable importance in understanding processes that these materials experience under impact and detonation conditions. Chemical decomposition models are critical ingredients in order to predict, among other things, the measured times to explosion and the conditions for ignition of hot spots, localized regions of highly concentrated energy associated with defects. To date, chemical kinetic rates of condense-phase energetic materials at detonation conditions are virtually non-existent, and basic questions such as: (a) which bond in a given energetic molecule breaks first, and (b) what type of chemical reactions (unimolecular versus bimolecular, etc.) that dominate early in the decomposition process, are still largely unknown.

  5. Exploring the Random Phase Approximately for materials chemistry and physics

    SciTech Connect

    Ruzsinsky, Adrienn

    2015-03-23

    This proposal focuses on improved accuracy for the delicate energy differences of interest in materials chemistry with the fully nonlocal random phase approximation (RPA) in a density functional context. Could RPA or RPA-like approaches become standard methods of first-principles electronic-structure calculation for atoms, molecules, solids, surfaces, and nano-structures? Direct RPA includes the full exact exchange energy and a nonlocal correlation energy from the occupied and unoccupied Kohn-Sham orbitals and orbital energies, with an approximate but universal description of long-range van der Waals attraction. RPA also improves upon simple pair-wise interaction potentials or vdW density functional theory. This improvement is essential to capture accurate energy differences in metals and different phases of semiconductors. The applications in this proposal are challenges for the simpler approximations of Kohn-Sham density functional theory, which are part of the current “standard model” for quantum chemistry and condensed matter physics. Within this project we already applied RPA on different structural phase transitions on semiconductors, metals and molecules. Although RPA predicts accurate structural parameters, RPA has proven not equally accurate in all kinds of structural phase transitions. Therefore a correction to RPA can be necessary in many cases. We are currently implementing and testing a nonempirical, spatially nonlocal, frequency-dependent model for the exchange-correlation kernel in the adiabatic-connection fluctuation-dissipation context. This kernel predicts a nearly-exact correlation energy for the electron gas of uniform density. If RPA or RPA-like approaches prove to be reliably accurate, then expected increases in computer power may make them standard in the electronic-structure calculations of the future.

  6. An Introductory Organic Chemistry Review Homework Exercise: Deriving Potential Mechanisms for Glucose Ring Opening in Mutarotation

    ERIC Educational Resources Information Center

    Murdock, Margaret; Holman, R. W.; Slade, Tyler; Clark, Shelley L. D.; Rodnick, Kenneth J.

    2014-01-01

    A unique homework assignment has been designed as a review exercise to be implemented near the end of the one-year undergraduate organic chemistry sequence. Within the framework of the exercise, students derive potential mechanisms for glucose ring opening in the aqueous mutarotation process. In this endeavor, 21 general review principles are…

  7. The exceptionally rich coordination chemistry generated by Schiff-base ligands derived from o-vanillin.

    PubMed

    Andruh, Marius

    2015-10-14

    Ortho-vanillin became very popular in coordination chemistry because of its Schiff bases, which generate a rich variety of complexes, ranging from oligonuclear species to coordination polymers. Some of these organic molecules are particularly useful in metallosupramolecular chemistry for assembling homo- and heterometallic helicates. The Schiff bases obtained using aminoalcohols open the door to the synthesis of homo- and heterometallic clusters with various nuclearities and surprising topologies of the metal centers. Several relevant structural types are reviewed. The heterobinuclear 3d-3d' and 3d-4f complexes are valuable building-blocks for the synthesis of heterotrimetallic systems. Beyond the richness of this chemistry, the complexes obtained from o-vanillin-based Schiff ligands show interesting properties: magnetism, luminescence, chirality, catalysis, cytotoxicity, and ferroelectricity. This paper reviews recent data that illustrate a very fertile and dynamic research field in coordination chemistry and materials science.

  8. Surface Chemistry of a Microcoated Energetic Material, Pentaerythritoltetranitrate (PETN)

    SciTech Connect

    Worley, C.M.; Vannet, M.D.; Ball, G.L.; Moddeman, W.E.

    1987-01-01

    A microcoating technique was used to apply a polymer to an energetic explosive material. The explosive was pentaerythritoltetranitrate (PETN), and the coating was a copolymer consisting of vinylchloride/trifluorochloroethylene in a 1.5/1.0 molecular ratio. X-ray photoelectron spectroscopy (XPS) and ion scattering spectroscopy (ISS) were used to study the surface and interfacial chemistry of PETN powders and pellets made from compressed powders having either 0.5 or 20 wt% coating. Two simple models were used to discuss the nature of the copolymer film on the PETN. Model I shows the copolymer completely coating PETN; Model II depicts the copolymer as only partially covering PETN. Model II was applicable in explaining the 0.5 and 20 wt% microcoating of powders, as well as the 0.5 wt% coated pellets. However, the pellets with 20 wt% coating showed the copolymer to completely coat PETN (Model I), suggesting copolymer redistribution during pelletization. XPS and ISS results showed the copolymer film to be thin. An XPS expression modified to accommodate ISS data was developed for the calculation of the average copolymer thickness of PETN. The thicknesses were determined to be 10 {angstrom} and 6 {angstrom} for 0.5 wt% coated PETN powders and pellets, respectively. Bonding between the copolymer and PETN was concluded to be mechanical.

  9. The interfacial chemistry of organic materials on commercial glass surfaces

    NASA Astrophysics Data System (ADS)

    Banerjee, Joy

    The hydrolytic stability of glass is dependent on its composition. Glasses are exposed to water during their processing and in many applications; therefore, their surface or interface with other materials must withstand hydrolytic attack. Multi-component silicate glasses are widely used but have been the least studied. In coatings-based applications, these glasses come in contact with organosilanes and organic molecules where the adsorption may be affected by surface water. For example, the influence of glass composition on the wet strength of a glass/polymer composite material is unclear, but it is presumed to be driven by the hydrolytic stability of the interfacial chemistry. Organosilanes are critical for increasing the performance of composite materials in humid environments but the precise manner by which the improvement occurs has not been verified. The current school of thought is that the application of silane coatings on a multi-component glass surface transforms the chemically heterogeneous surface into a homogenous and hydrolytically stable surface. In this study, multi-component silicate glass surfaces were silanized by both aqueous and non-aqueous methods. The effect of glass composition and surface hydration on silane coverage was quantified by X-ray Photoelectron Spectroscopy (XPS) analysis. The monolayer-level adsorption results showed that the low-sodium content glasses had greater coverage than a high-sodium content glass in dry conditions in contrast to an equivalent coverage in wet conditions. The hydrolytically-stable coverage on multi-component silicate glass surfaces by both silanization methods was found to be sub-monolayer. A thin film model in conjunction with XPS and Infrared Spectroscopy was used to probe the interfacial region of a fiberglass insulation material containing a sodium-rich multi-component silicate glass and an acrylate resin binder. Upon the application of the aqueous binder, the leaching of sodium from the glass promoted

  10. Applied Biology and Chemistry. Course Materials: Chemistry 111, 112, 113, 114. Seattle Tech Prep Applied Academics Project.

    ERIC Educational Resources Information Center

    South Seattle Community Coll., Washington.

    This publication contains materials for four courses in Applied Biology/Chemistry in the Applied Academics program at South Seattle Community College. It begins with the article, "Community College Applied Academics: The State of the Art?" (George B. Neff), which describes the characteristics, model, courses, and coordination activity that make up…

  11. Ferritin Diversity: Mechanistic Studies, Disease Implications, and Materials Chemistry

    NASA Astrophysics Data System (ADS)

    Hilton, Robert J.

    2011-07-01

    The study of ferritin includes a rich history of discoveries and scientific progress. Initially, the composition of ferritin was determined. Soon, it was shown that ferritin is a spherical, hollow protein. Eventually, over several decades of research, the structure and some function of this interesting protein was elucidated. However, the ferritin field was not completely satisfied. Today, for example, researchers are interested in refining the details of ferritin function, in discovering the role of ferritin in a variety of diseases, and in using ferritin for materials chemistry applications. The work presented in this dissertation highlights the progress that we have made in each of these three areas: (1) Mechanistic studies: The buffer used during horse spleen ferritin iron loading significantly influences the mineralization process and the quantity of iron deposited in ferritin. The ferrihydrite core of ferritin is crystalline and ordered when iron is loaded into ferritin in the presence of imidazole buffer. On the other hand, when iron is loaded into ferritin in the presence of MOPS buffer, the ferrihydrite core is less crystalline and less ordered, and a smaller amount of total iron is loaded in ferritin. We also show that iron can be released from the ferritin core in a non-reductive manner. The rate of Fe3+ release from horse spleen ferritin was measured using the Fe3+-specific chelator desferoxamine. We show that iron release occurs by three kinetic events. (2) Disease studies: In order to better understand iron disruption during disease states, we performed in vitro assays that mimicked chronic kidney disease. We tested the hypothesis that elevated levels of serum phosphate interrupted normal iron binding by transferrin and ferritin. Results show that phosphate competes for iron, forming an iron(III)-phosphate complex that is inaccessible to either transferrin or ferritin. Ferritin samples separated from the iron(III)-phosphate complex shows that as the

  12. Synthesis and properties of novel water-soluble fullerene-glycine derivatives as new materials for cancer therapy.

    PubMed

    Jiang, Guichang; Yin, Fen; Duan, Jihua; Li, Guangtao

    2015-01-01

    Novel water-soluble fullerene-glycine derivatives were synthesized by means of simple organic chemistry. They are completely soluble in water, yielding a clear brown solution. The products were characterized by fourier transform infrared (FTIR), ultraviolet-visible spectroscopy (UV-Vis), (1)H NMR, (13)C NMR, thermogravimetric analyses (TGA), and scanning electron microscopy (SEM). The assembly behavior of water-soluble fullerene-glycine derivatives was investigated by SEM. The results show that the fullerene-glycine derivatives create morphology that is sphere-like. The cytotoxicity to cancer cell lines of the fullerene-glycine derivatives was evaluated by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) and flow cytometry. The results show that fullerene-glycine derivatives exhibit mortality and apoptosis of the cells which increased with the increase of fullerene-glycine derivative concentration. The cytotoxicity mechanism of fullerene-glycine derivatives was investigated for the first time. Novel water-soluble fullerene-glycine derivatives were synthesized by means of simple organic chemistry. The products were characterized by FTIR, UV-Vis, (1)H NMR, (13)C NMR, TGA, and SEM. The bioactivities of fullerene-glycine derivative materials have been tested, and the results show that compared with the fullerene complex, the fullerene-glycine derivative materials exhibit mortality and apoptosis of the cells which increased with the increase of fullerene-glycine derivative concentration. SEM images showed the macrostructure of fullerene-glycine derivative materials was spheres.

  13. Based on a True Story: Using Movies as Source Material for General Chemistry Reports

    ERIC Educational Resources Information Center

    Griep, Mark A.; Mikasen, Marjorie L.

    2005-01-01

    The story to improve student enthusiasm for writing reports about the chemistry behind events reported in the news and movies were chosen as the source material. The use of movies in the chemical classroom helps an instructor move the subject of chemistry from abstract, general themes to the personal and subjective arena of human interactions.

  14. Bend It, Stretch It, Hammer It, Break It: Materials Chemistry Applied

    ERIC Educational Resources Information Center

    Neff, Grace A.; Retsek, Jennifer; Berber-Jimenez, Lola; Barber, Nicole; Coles, Monica; Fintikakis, Christina; Huigens, Brent

    2010-01-01

    Making chemistry both accessible and interesting to middle and high school students can be difficult. Convincing middle and high school teachers that they will learn something new and applicable from a professional development workshop in chemistry can be equally challenging. This paper describes the use of material science as a means to enhance…

  15. Synthesis of Porphyrin, Chlorin and Phthalocyanine Derivatives by Azide-Alkyne Click Chemistry.

    PubMed

    Acherar, Samir; Colombeau, Ludovic; Frochot, Céline; Vanderesse, Régis

    2015-01-01

    The aim of this review is to provide a summary of the use of copper-catalyzed azide-alkyne cycloaddition (CuAAC) in the synthesis of porphyrin, chlorin and phthalocyanine derivatives for different types of therapeutic applications. The click reaction is a powerful and versatile tool for scientists working on the synthesis of various symmetrically and asymmetrically substituted tetrapyrrolic derivatives. For example, click chemistry is widely used for the elaboration of photosensitizer conjugates for photodynamic therapy applications. Other biological applications are also described. PMID:26179994

  16. Peptidyl Materials Formed Through Click Chemistry Enhanced Coiled-Coil Interactions

    NASA Astrophysics Data System (ADS)

    Koehler, Kenneth

    2014-03-01

    Biologically derived materials offer a level of sophistication synthetically fabricated materials have only attempted to mimic. This level of complexity may be found in materials such as peptides. Implementing new theory and modeling, peptides with the propensity to form coiled-coil (CC) bundles were designed and synthesized. Through the use of this de novo approach, modeling allowed prediction of the feasibility to include non-natural amino acids conducive to click chemistry into the peptide. Amino acids showcasing thiol or alkyne functionalities were considered owing to the ability of these moieties to participate in the thiol-ene and copper click reactions respectively. Once synthesized, the peptides decorated with these clickable motifs were placed in solution and allowed to self-assemble into CC's. CD spectroscopy and DLS experiments confirmed the formation and assembly of CC's. Click reactions were then incited to link the CC assemblies together and form a network with predictable dimensionality and pore size between CC bundles. To incite network formation, click reactions between CC side chain residues and suitably functionalized crosslinkers were implemented. The linking of coiled-coils and material formation were assessed using DLS and TEM.

  17. A Descriptive Analysis of the Chemical Bond Approach, the Chemical Education Material Study, and a Representative Traditional Chemistry Course.

    ERIC Educational Resources Information Center

    Crilly, Alice Roth

    This study compared three one-year courses in high school chemistry. One of these, entitled Modern Chemistry, represents the "traditional" precollegiate chemistry course. The others are the Chemical Bond Approach (CBA) and the Chemical Education Material Study (CHEM Study). These are the two major revisions in high school chemistry which emerged…

  18. Habitability and Biosignature Preservation in Impact-Derived Materials

    NASA Astrophysics Data System (ADS)

    Sapers, H. M.; Pontefract, A.; Osinski, G. R.; Cannon, K. M.; Mustard, J. F.

    2016-05-01

    Meteorite impacts create environments conducive to microbial colonization. Biosignatures in impact-derived materials have been characterized on Earth. Impact environments comprise candidates for biosignature detection and preservation on Mars.

  19. Chemistry and materials science progress report, FY 1994

    SciTech Connect

    1995-07-01

    Research is reported in the areas of surface science, fundamentals of the physics and processing of metals, energetic materials, transactinide materials and properties and other indirectly related areas of weapons research.

  20. Overview on the history of organofluorine chemistry from the viewpoint of material industry

    PubMed Central

    Okazoe, Takashi

    2009-01-01

    Fluorine (from “le fluor”, meaning “to flow”) is a second row element of Group 17 in the periodic table. When bound to carbon it forms the strongest bond in organic chemistry to give organofluorine compounds. The scientific field treating them, organofluorine chemistry, started before elemental fluorine itself was isolated. Applying the fruits in academia, industrial organofluorine chemistry has developed over 80 years via dramatic changes during World War II. Nowadays, it provides various materials essential for our society. Recently, it utilizes elemental fluorine itself as a reagent for the introduction of fluorine atoms to organic molecules in leading-edge industries. This paper overviews the historical development of organofluorine chemistry especially from the viewpoint of material industry. PMID:19838009

  1. 2012 CHEMISTRY & PHYSICS OF GRAPHITIC CARBON MATERIALS GORDON RESEARCH CONFERENCE, JUNE 17-22, 2012

    SciTech Connect

    Fertig, Herbert

    2012-06-22

    This conference will highlight the urgency for research on graphitic carbon materials and gather scientists in physics, chemistry, and engineering to tackle the challenges in this field. The conference will focus on scalable synthesis, characterization, novel physical and electronic properties, structure-properties relationship studies, and new applications of the carbon materials. Contributors

  2. Investigating the Factors That Influence Chemistry Teachers' Use of Curriculum Materials: The Case of China

    ERIC Educational Resources Information Center

    Chen, B.; Wei, B.

    2015-01-01

    This paper aimed to explore the factors that influenced teachers' adaptations of the curriculum materials of the new senior secondary chemistry curriculum, a standards-based science curriculum, in China. This study was based on the premise that the interaction of the teacher with curriculum materials in a given social context determined what…

  3. Examining Chemistry Teachers' Use of Curriculum Materials: In View of Teachers' Pedagogical Content Knowledge

    ERIC Educational Resources Information Center

    Chen, Bo; Wei, Bing

    2015-01-01

    This paper aimed to explore how pedagogical content knowledge (PCK) of teachers influenced their adaptations of the curriculum materials of the new senior secondary chemistry curriculum, a standards-based science curriculum, in China. This study was based on the premise that the interaction of the teacher with the curriculum materials determines…

  4. Improving the Effectiveness of Organic Chemistry Experiments through Multimedia Teaching Materials for Junior High School Students

    ERIC Educational Resources Information Center

    Lou, Shi-Jer; Lin, Hui-Chen; Shih, Ru-Chu; Tseng, Kuo-Hung

    2012-01-01

    The purpose of the study aimed to explore the effects of three different forms of the multimedia teaching materials on the achievements and attitudes of junior high school students in a chemistry laboratory context. The three forms of the multimedia teaching materials, static pictures, video, and animation, were employed to teach chemistry…

  5. Pluripotent stem cell derived hepatocytes: using materials to define cellular differentiation and tissue engineering

    PubMed Central

    Lucendo-Villarin, B.; Rashidi, H.; Cameron, K.

    2016-01-01

    Pluripotent stem cell derived liver cells (hepatocytes) represent a promising alternative to primary tissue for biological and clinical applications. To date, most hepatocyte maintenance and differentiation systems have relied upon the use of animal derived components. This serves as a significant barrier to large scale production and application of stem cell derived hepatocytes. Recently, the use of defined biologics has overcome those limitations in two-dimensional monolayer culture. In order to improve the cell phenotype further, three-dimensional culture systems have been employed to better mimic the in vivo situation, drawing upon materials chemistry, engineering and biology. In this review we discuss efforts in the field, to differentiate pluripotent stem cells towards hepatocytes under defined conditions. PMID:27746914

  6. Evolution in medicinal chemistry of ursolic acid derivatives as anticancer agents.

    PubMed

    Chen, Haijun; Gao, Yu; Wang, Ailan; Zhou, Xiaobin; Zheng, Yunquan; Zhou, Jia

    2015-03-01

    Currently, there is a renewed interest in common dietaries and plant-based traditional medicines for the prevention and treatment of cancer. In the search for potential anticancer agents from natural sources, ursolic acid (UA), a pentacyclic triterpenoid widely found in various medicinal herbs and fruits, exhibits powerful biological effects including its attractive anticancer activity against various types of cancer cells. However, the limited solubility, rapid metabolism and poor bioavailability of UA restricted its further clinical applications. In the past decade, with substantial progress toward the development of new chemical entities for the treatment of cancer, numerous UA derivatives have been designed and prepared to overcome its disadvantages. Despite extensive effort, discovery of effective UA derivatives has so far met with only limited success. This review summarizes the current status of the structural diversity and evolution in medicinal chemistry of UA analogues and provides a detailed discussion of future direction for further research in the chemical modifications of UA.

  7. Functional Augmentation of Naturally-Derived Materials for Tissue Regeneration

    PubMed Central

    Allen, Ashley B.; Priddy, Lauren B.; Li, Mon-Tzu. A.; Guldberg, Robert E.

    2015-01-01

    Tissue engineering strategies have utilized a wide spectrum of synthetic and naturally-derived scaffold materials. Synthetic scaffolds are better defined and offer the ability to precisely and reproducibly control their properties, while naturally-derived scaffolds typically have inherent biological and structural properties that may facilitate tissue growth and remodeling. More recently, efforts to design optimized biomaterial scaffolds have blurred the line between these two approaches. Naturally-derived scaffolds can be engineered through the manipulation of intrinsic properties of the pre-existing backbone (e.g., structural properties), as well as the addition of controllable functional components (e.g., biological properties). Chemical and physical processing techniques used to modify structural properties of synthetic scaffolds have been tailored and applied to naturally-derived materials. Such strategies include manipulation of mechanical properties, degradation, and porosity. Furthermore, bio-functional augmentation of natural scaffolds via incorporation of exogenous cells, proteins, peptides, or genes has been shown to enhance functional regeneration over endogenous response to the material itself. Moving forward, the regenerative mode of action of naturally-derived materials requires additional investigation. Elucidating such mechanisms will allow for the determination of critical design parameters to further enhance efficacy and capitalize on the full potential of naturally-derived scaffolds. PMID:25422160

  8. Cu(II) coordination chemistry of patellamide derivatives: possible biological functions of cyclic pseudopeptides.

    PubMed

    Comba, Peter; Dovalil, Nina; Gahan, Lawrence R; Haberhauer, Gebhard; Hanson, Graeme R; Noble, Christopher J; Seibold, Björn; Vadivelu, Prabha

    2012-02-27

    Two synthetic derivatives of the naturally occurring cyclic pseudooctapeptides patellamide  A-F and ascidiacyclamide, that is, H(4)pat(2), H(4)pat(3), as well as their Cu(II) complexes are described. These cyclic peptide derivatives differ from the naturally occurring macrocycles by the variation of the incorporated heterocyclic donor groups and the configuration of the amino acids connecting the heterocycles. The exchange of the oxazoline and thiazole groups by dimethylimidazoles or methyloxazoles leads to more rigid macrocycles, and the changes in the configuration of the side chains leads to significant differences in the folding of the cyclic peptides. These variations allow a detailed study of the various possible structural changes on the chemistry of the Cu(II) complexes formed. The coordination of Cu(II) with these macrocyclic species was monitored by high-resolution electrospray mass spectrometry (ESI-MS), spectrophotometric (UV/Vis) and circular dichroic (CD) titrations, and electron paramagnetic resonance (EPR) spectroscopy. Density functional theory (DFT) calculations and molecular mechanics (MM) simulations have been used to model the structures of the Cu(II) complexes and provide a detailed understanding of their geometric preferences and conformational flexibility. This is related to the Cu(II) coordination chemistry and the reactivity of the dinuclear Cu(II) complexes towards CO(2) fixation. The variation observed between the natural and various synthetic peptide systems enables conclusions about structure-reactivity correlations, and our results also provide information on why nature might have chosen oxazolines and thiazoles as incorporated heterocycles.

  9. Chemistry and Materials Science progress report, first half FY 1992

    SciTech Connect

    Not Available

    1992-07-01

    This report contains sections on: Fundamentals of the physics and processing of metals; interfaces, adhesion, and bonding; energetic materials; plutonium research; synchrotron radiation-based materials science; atomistic approach to the interaction of surfaces with the environment: actinide studies; properties of carbon fibers; buried layer formation using ion implantation; active coherent control of chemical reaction dynamics; inorganic and organic aerogels; synthesis and characterization of melamine-formaldehyde aerogels; structural transformation and precursor phenomena in advanced materials; magnetic ultrathin films, surfaces, and overlayers; ductile-phase toughening of refractory-metal intermetallics; particle-solid interactions; electronic structure evolution of metal clusters; and nanoscale lithography induced chemically or physically by modified scanned probe microscopy.

  10. Chemistry and Materials Science progress report, FY 1994. Revision 2

    SciTech Connect

    1996-01-01

    Thrust areas of the weapons-supporting research include surface science, fundamentals of the physics and processing of metals, energetic materials, etc. The laboratory directed R and D include director`s initiatives, individual projects, and transactinium science studies.

  11. Research on the development of green chemistry technology assessment techniques: a material reutilization case

    PubMed Central

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

    2015-01-01

    Objectives This study presents a methodology that enables a quantitative assessment of green chemistry technologies. Methods The study carries out a quantitative evaluation of a particular case of material reutilization by calculating the level of “greenness” i.e., the level of compliance with the principles of green chemistry that was achieved by implementing a green chemistry technology. Results The results indicate that the greenness level was enhanced by 42% compared to the pre-improvement level, thus demonstrating the economic feasibility of green chemistry. Conclusions The assessment technique established in this study will serve as a useful reference for setting the direction of industry-level and government-level technological R&D and for evaluating newly developed technologies, which can greatly contribute toward gaining a competitive advantage in the global market. PMID:26206363

  12. Preparation of Lanthanide-Polymer Composite Material via Click Chemistry.

    PubMed

    Chen, Bin; Wen, Guian; Wu, Jiajie; Feng, Jiachun

    2015-10-01

    Covalently attaching lanthanide complexes to the polymer backbone can effectively reduce the clustering of lanthanides and thus become an important strategy to fully unleash their potential. In this Communication, a metal-free click reaction is used for the first time to link a lanthanide complex to the polymer matrix. A diene-bearing copolymer with anthracenylmethyl methacrylate as a monomer and a dienophile-bearing lanthanide complex with 5-maleimido-1,10-phenanthroline as the second ligand are synthesized and coupled together through a Diels-Alder cycloaddition (DA). A comparative investigation demonstrates that the composite material prepared by DA click reaction shows the highest quantum yields in the same lanthanide concentration as compared to materials prepared by widely used "directly doping" and "in situ coordinating lanthanide ions with macromolecular ligand" approaches. This work suggests that the "metal-free" DA click reaction can be a promising tool in the synthesis of high efficient lanthanide functionalized polymeric materials.

  13. Through the looking glass of a chemistry video game: Evaluating the effects of different MLEs presenting identical content material

    NASA Astrophysics Data System (ADS)

    Hillman, Dustin S.

    The primary goal of this study is to evaluate the effects of different media-based learning environments (MLEs) that present identical chemistry content material. This is done with four different MLEs that utilize some or all components of a chemistry-based media-based prototype video game. Examination of general chemistry student volunteers purposefully randomized to one of four different MLEs did not provide evidence that the higher the level of interactivity resulted in a more effective MLE for the chemistry content. Data suggested that the cognitive load to play the chemistry-based video game may impaired the chemistry content being presented and recalled by the students while the students watching the movie of the chemistry-based video game were able to recall the chemistry content more efficiently. Further studies in this area need to address the overall cognitive load of the different MLEs to potentially better determine what the most effective MLE may be for this chemistry content.

  14. Chemistry and Materials Science. Progress report, first half, FY 1993

    SciTech Connect

    Not Available

    1993-07-01

    Thrust areas of the weapons-supporting research are growth, structure, and reactivity of surfaces and thin films; uranium research; physics and processing of metals; energetic materials; etc. The laboratory-directed R and D include director`s initiatives and individual projects, and transactinium institute studies.

  15. Diverse roles of hydrogen in rhenium carbonyl chemistry: hydrides, dihydrogen complexes, and a formyl derivative.

    PubMed

    Li, Nan; Xie, Yaoming; King, R Bruce; Schaefer, Henry F

    2010-11-01

    Rhenium carbonyl hydride chemistry dates back to the 1959 synthesis of HRe(CO)₅ by Hieber and Braun. The binuclear H₂Re₂(CO)₈ was subsequently synthesized as a stable compound with a central Re₂(μ-H)₂ unit analogous to the B₂(μ-H)₂ unit in diborane. The complete series of HRe(CO)(n) (n = 5, 4, 3) and H₂Re₂(CO)(n) (n = 9, 8, 7, 6) derivatives have now been investigated by density functional theory. In contrast to the corresponding manganese derivatives, all of the triplet rhenium structures are found to lie at relatively high energies compared with the corresponding singlet structures consistent with the higher ligand field splitting of rhenium relative to manganese. The lowest energy HRe(CO)₅ structure is the expected octahedral structure. Low-energy structures for HRe(CO)(n) (n = 4, 3) are singlet structures derived from the octahedral HRe(CO)₅ structure by removal of one or two carbonyl groups. For H₂Re₂(CO)₉ a structure HRe₂(CO)₉(μ-H), with one terminal and one bridging hydrogen atom, lies within 3 kcal/mol of the structure Re₂(CO)₉(η²-H₂), similar to that of Re₂(CO)₁₀. For H₂Re₂(CO)(n) (n = 8, 7, 6) the only low-energy structures are doubly bridged singlet Re₂(μ-H)₂(CO)(n) structures. Higher energy dihydrogen complex structures are also found.

  16. Biologically-Derived Photonic Materials for Thermal Protection Systems

    NASA Technical Reports Server (NTRS)

    Johnson, Sylvia M.; Squire, Thomas H.; Lawson, John W.; Gusman, Michael; Lau, K.-H.; Sanjurjo, Angel

    2014-01-01

    Space vehicles entering a planetary atmosphere at high velocity can be subject to substantial radiative heating from the shock layer in addition to the convective heating caused by the flow of hot gas past the vehicle surface. The radiative component can be very high but of a short duration. Approaches to combat this effect include investigation of various materials to reflect the radiation. Photonic materials can be used to reflect radiation. The wavelengths reflected depend on the length scale of the ordered microstructure. Fabricating photonic structures, such as layers, can be time consuming and expensive. We have used a biologically-derived material as the template for forming a high temperature photonic material that could be incorporated into a heatshield thermal protection material.

  17. Reversible Hydrogen Storage Materials – Structure, Chemistry, and Electronic Structure

    SciTech Connect

    Robertson, Ian M.; Johnson, Duane D.

    2014-06-21

    To understand the processes involved in the uptake and release of hydrogen from candidate light-weight metal hydride storage systems, a combination of materials characterization techniques and first principle calculation methods have been employed. In addition to conventional microstructural characterization in the transmission electron microscope, which provides projected information about the through thickness microstructure, electron tomography methods were employed to determine the three-dimensional spatial distribution of catalyst species for select systems both before and after dehydrogenation. Catalyst species identification as well as compositional analysis of the storage material before and after hydrogen charging and discharging was performed using a combination of energy dispersive spectroscopy, EDS, and electron energy loss spectroscopy, EELS. The characterization effort was coupled with first-principles, electronic-structure and thermodynamic techniques to predict and assess meta-stable and stable phases, reaction pathways, and thermodynamic and kinetic barriers. Systems studied included:NaAlH4, CaH2/CaB6 and Ca(BH4)2, MgH2/MgB2, Ni-Catalyzed Magnesium Hydride, TiH2-Catalyzed Magnesium Hydride, LiBH4, Aluminum-based systems and Aluminum

  18. Teachers Implementing Context-Based Teaching Materials: A Framework for Case-Analysis in Chemistry

    ERIC Educational Resources Information Center

    Vos, Martin A. J.; Taconis, Ruurd; Jochems, Wim M. G.; Pilot, Albert

    2010-01-01

    We present a framework for analysing the interplay between context-based teaching material and teachers, and for evaluating the adequacy of the resulting implementation of context-based pedagogy in chemistry classroom practice. The development of the framework is described, including an account of its theoretical foundations. The framework needs…

  19. Oils and fats as renewable raw materials in chemistry.

    PubMed

    Biermann, Ursula; Bornscheuer, Uwe; Meier, Michael A R; Metzger, Jürgen O; Schäfer, Hans J

    2011-04-18

    Oils and fats of vegetable and animal origin have been the most important renewable feedstock of the chemical industry in the past and in the present. A tremendous geographical and feedstock shift of oleochemical production has taken place from North America and Europe to southeast Asia and from tallow to palm oil. It will be important to introduce and to cultivate more and new oil plants containing fatty acids with interesting and desired properties for chemical utilization while simultaneously increasing the agricultural biodiversity. The problem of the industrial utilization of food plant oils has become more urgent with the development of the global biodiesel production. The remarkable advances made during the last decade in organic synthesis, catalysis, and biotechnology using plant oils and the basic oleochemicals derived from them will be reported, including, for example, ω-functionalization of fatty acids containing internal double bonds, application of the olefin metathesis reaction, and de novo synthesis of fatty acids from abundantly available renewable carbon sources.

  20. The Chemistry and Perception of Fluorescent White Textile Materials

    NASA Astrophysics Data System (ADS)

    Xu, Changhai

    Cationic bleach activators (CBA) are precursors to perhydroxyl compounds that, when activated, have higher oxidation potential and potentially improved bleaching performance compared to common oxidizing agents such as hydrogen peroxide. CBAs were first reported in 1997 by Proctor & Gamble Co., and have been further developed at North Carolina State University. To date, an effective low temperature bleaching system has not been developed that offers sufficient economic improvement over existing bleaching systems. The primary purpose of this research was to develop new methods and understand key variables required for achieving enhanced whiteness of textile materials using bleach activators with or without the presence of fluorescence. A new optimized low temperature bleaching system using novel lactam-based bleach activators was developed and the effect of UV content of light sources on the whiteness of fluorescent white textile materials was evaluated. A novel class of bleach activators was synthesized by introducing benzoylcaprolactam group into a stilbene system shown as follows:* While solubility, purification and hydrolytic stability of the compounds were problematic, a new approach to low pH (pH 7-9) and low temperature (50-70°C) bleaching was found using a butyrolactam-based cationic bleach activator, N-[4-(triethylammonio methyl)benzoyl]-butyrolactam chloride (TBBC), using a central composite design (CCD) of experiment. The CCD bleaching experiments showed that cationic bleach activators are less effective with high concentrations of hydrogen peroxide in high alkaline solutions. Also a 2FI model predicted the optimized bleaching performance on 100% cotton at near neutral pH and temperatures around 50°C, in which the dosage of TBBC is the most important factor affecting the bleaching performance. This prediction was validated experimentally during bleaching of bamboo and cotton fibers. In addition, this study confirmed the hypothesis that cationic bleach

  1. Dense velocity reconstruction from tomographic PTV with material derivatives

    NASA Astrophysics Data System (ADS)

    Schneiders, Jan F. G.; Scarano, Fulvio

    2016-09-01

    A method is proposed to reconstruct the instantaneous velocity field from time-resolved volumetric particle tracking velocimetry (PTV, e.g., 3D-PTV, tomographic PTV and Shake-the-Box), employing both the instantaneous velocity and the velocity material derivative of the sparse tracer particles. The constraint to the measured temporal derivative of the PTV particle tracks improves the consistency of the reconstructed velocity field. The method is christened as pouring time into space, as it leverages temporal information to increase the spatial resolution of volumetric PTV measurements. This approach becomes relevant in cases where the spatial resolution is limited by the seeding concentration. The method solves an optimization problem to find the vorticity and velocity fields that minimize a cost function, which includes next to instantaneous velocity, also the velocity material derivative. The velocity and its material derivative are related through the vorticity transport equation, and the cost function is minimized using the limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) algorithm. The procedure is assessed numerically with a simulated PTV experiment in a turbulent boundary layer from a direct numerical simulation (DNS). The experimental validation considers a tomographic particle image velocimetry (PIV) experiment in a similar turbulent boundary layer and the additional case of a jet flow. The proposed technique (`vortex-in-cell plus', VIC+) is compared to tomographic PIV analysis (3D iterative cross-correlation), PTV interpolation methods (linear and adaptive Gaussian windowing) and to vortex-in-cell (VIC) interpolation without the material derivative. A visible increase in resolved details in the turbulent structures is obtained with the VIC+ approach, both in numerical simulations and experiments. This results in a more accurate determination of the turbulent stresses distribution in turbulent boundary layer investigations. Data from a jet

  2. Chemistry and Materials Science Directorate Annual Report 2003

    SciTech Connect

    Diaz de la Rubia, T; Shang, S P; Kitrinos, G A; Fluss, M; Westbrook, C; Rennie, G

    2004-04-21

    Evolving challenges and solid accomplishments define the year 2003 for us. Our scientific breakthroughs validate our strategic directions and reaffirm our critical role in fulfilling the Laboratory's missions. Our growth continues in new research projects and significant new programmatic support. Our mission is clear: to enable the Laboratory to accomplish its primary mission through excellence in the chemical and materials sciences. The directorate's common theme and determination has remained constant: Deliver on our commitments, while anticipating and capitalizing on opportunities through innovation in science and technology. In this, the 2003 Annual Report, we describe how our science is built around a strategic plan with four organizing themes, each with key scientific accomplishments by our staff and collaborators. Our strategic plan is synergistic with the Laboratory's Long-Range Science and Technology Plan, which identifies six areas of institutional research and development strategy. This 2003 CMS Annual Report is organized into two major sections: research themes and dynamic teams. The research-theme section addresses challenges, achievements, and new frontiers within each of the four research themes. The dynamic-teams section illustrates the directorate's organizational structure of divisions, centers, and institutes that supports a team environment across disciplinary and institutional boundaries. The research presented gives substantive examples of how we are proceeding in each of these four theme areas and how they are aligned with the institutional strategy. Our organizational structure offers an environment of collaborative problem-solving opportunities, an environment that attracts and retains the best and the brightest from across the Laboratory and around the world.

  3. New Psychoactive Substances: Chemistry, Pharmacology, Metabolism, and Detectability of Amphetamine Derivatives With Modified Ring Systems.

    PubMed

    Welter-Luedeke, Jessica; Maurer, Hans H

    2016-02-01

    In recent years, new amphetamine derivatives with modified ring systems were sold and consumed as new drugs of abuse. They belong together with other new drugs of abuse classes to the so-called new psychoactive substances (NPS). The chemistry, pharmacology, toxicology, metabolism, and toxicokinetics are shortly discussed of camfetamine, 3 methylphenyl-amphetamines (2-MA, 3-MA, and 4-MA), 2-methiopropamine (2-MPA), and 5-(2-aminopropyl)benzofuran (5-APB), 6-(2-aminopropyl)benzofuran (6-APB, so-called "benzofury") and their N-methyl derivatives 5-MAPB and 6-MAPB. Only a rough assessment of the pharmacology and toxicology NPS can be performed in most cases using published data of analogs, trip reports, and described clinical cases. Accordingly, they all act more or less as central nervous stimulants mainly by increasing the concentration of the neurotransmitters noradrenaline, dopamine, and serotonin (5-HT) by inducing their release and reuptake inhibition. Thus, the acute toxicity is associated with the sympathomimetic effects, such as mydriasis, hyperthermia, hypertension, tachycardia, insomnia, and anxiety. With the exception of 5- and 6-APB, these NPS were extensively metabolized by N-demethylation and/or aromatic hydroxylation catalyzed by various cytochrome P450 isoenzymes followed by partial glucuronidation and/or sulfation. For urinalysis, the unchanged drugs and/or the nor-metabolites are the main targets. PMID:26327309

  4. Vegetable oil derived solvent, and catalyst free "click chemistry" thermoplastic polytriazoles.

    PubMed

    Floros, Michael C; Leão, Alcides Lopes; Narine, Suresh S

    2014-01-01

    Azide-alkyne Huisgen "click" chemistry provides new synthetic routes for making thermoplastic polytriazole polymers-without solvent or catalyst. This method was used to polymerize three diester dialkyne monomers with a lipid derived 18 carbon diazide to produce a series of polymers (labelled C18C18, C18C9, and C18C4 based on monomer chain lengths) free of residual solvent and catalyst. Three diester dialkyne monomers were synthesized with ester chain lengths of 4, 9, and 18 carbons from renewable sources. Significant differences in thermal and mechanical properties were observed between C18C9 and the two other polymers. C18C9 presented a lower melting temperature, higher elongation at break, and reduced Young's modulus compared to C18C4 and C18C18. This was due to the "odd-even" effect induced by the number of carbon atoms in the monomers which resulted in orientation of the ester linkages of C18C9 in the same direction, thereby reducing hydrogen bonding. The thermoplastic polytriazoles presented are novel polymers derived from vegetable oil with favourable mechanical and thermal properties suitable for a large range of applications where no residual solvent or catalyst can be tolerated. Their added potential biocompatibility and biodegradability make them ideal for applications in the medical and pharmaceutical industries.

  5. Characteristics of and sorption to biochars derived from waste material

    NASA Astrophysics Data System (ADS)

    Sun, Huichao; Kah, Melanie; Sigmund, Gabriel; Hofmann, Thilo

    2015-04-01

    Biochars can exhibit a high sorption potential towards heavy metals and organic contaminants in various environmental matrices (e.g., water, soil). They have therefore been proposed for environmental remediation purposes to sequester contaminants. To date, most studies have focused on the physicochemical and sorption properties of mineral phases poor biochars, which are typically produced from plant residues. Only little knowledge is available for biochars derived from human and animal waste material, which are typically characterized by high mineral contents (e.g., sewage sludge, manure). Using human and animal waste as source material to produce biochars would support the development of attractive combined strategies for waste management and remediation. The potential impact of mineral phases on the physicochemical and sorption properties of biochars requires further studies so that the potential as sorbent material can be evaluated. With this purpose, different source material biochars were produced at 200°C, 350°C and 500°C, to yield a series of biochars representing a range of mineral content. The derived biochars from wood shavings (<1% ash), sewage sludge (50-70% ash) and pig manure (30-60% ash), as well as a commercial biochar derived from grain husks (40% ash), were extensively characterized (e.g., element composition, surface area, porosity, Fourier transform infrared spectroscopy). The contents of potentially toxic elements (i.e., heavy metals and polycyclic aromatic hydrocarbons) of all materials were within the guidelines values proposed by the International Biochar Initiative, indicating their suitability for environmental application. Single point sorption coefficients for the model sorbate pyrene were measured to investigate the effect of mineral content, feedstock, pyrolysis temperature, particle size fractions and acid demineralization on sorption behavior. Overall, sorption of pyrene was strong for all materials (4 < Log Kd < 6.5 L

  6. Airborne Observations of Urban-Derived Water Vapor and Potential Impacts on Chemistry and Clouds

    NASA Astrophysics Data System (ADS)

    Salmon, O. E.; Shepson, P. B.; Grundman, R. M., II; Stirm, B. H.; Ren, X.; Dickerson, R. R.; Fuentes, J. D.

    2015-12-01

    Atmospheric conditions typical of wintertime, such as lower boundary layer heights and reduced turbulent mixing, provide a unique environment for anthropogenic pollutants to accumulate and react. Wintertime enhancements in water vapor (H2O) have been observed in urban areas, and are thought to result from fossil fuel combustion and urban heat island-induced evaporation. The contribution of urban-derived water vapor to the atmosphere has the potential to locally influence atmospheric chemistry and weather for the urban area and surrounding region due to interactions between H2O and other chemical species, aerosols, and clouds. Airborne observations of urban-derived H2O, carbon dioxide (CO2), methane, nitrogen dioxide (NO2), ozone, and aerosols were conducted from Purdue University's Airborne Laboratory for Atmospheric Research (ALAR) and the University of Maryland's (UMD) Twin Cessna research aircraft during the winter of 2015. Measurements were conducted as part of the collaborative airborne campaign, Wintertime INvestigation of Transport, Emissions, and Reactivity (WINTER), which investigated seasonal trends in anthropogenic emissions and reactivity in the Northeastern United States. ALAR and the UMD aircraft participated in mass balance experiments around Washington D.C.-Baltimore to determine total city emission rates of H2O and other greenhouse gases. Average enhancements in H2O mixing ratio of 0.048%, and up to 0.13%, were observed downwind of the urban centers on ten research flights. In some cases, downwind H2O concentrations clearly track CO2 and NO2 enhancements, suggesting a strong combustion signal. Analysis of Purdue and UMD data collected during the WINTER campaign shows an average urban-derived H2O contribution of 5.3%, and as much as 13%, to the local boundary layer from ten research flights flown in February and March of 2015. In this paper, we discuss the potential chemical and physical implications of these results.

  7. New trends in chemistry and materials science in extremely tight space

    DOE PAGES

    Song, Yang; Manaa, M. Riad

    2012-01-26

    Pressure plays a critical role in regulating the structures and properties of materials. Since Percy Bridgeman was recognized by the 1946 Nobel Prize in Physics for his contribution in high-pressure physics, high-pressure research has remained an interdisciplinary scientific frontier with many extraordinary breakthroughs. Over the past decade or so, in particular, high-pressure chemistry and materials research has undergone major advances with the discovery of numerous exotic structures and properties. Furthermore, brand new classes of inorganic materials of unusual stoichiometries and crystal structures, which have a wide range of optical, mechanical, electronic and magnetic properties, have been produced at high pressures.

  8. Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences

    PubMed Central

    Qian, Guang-Rui; Niu, Haiyang; Hu, Chao-Hao; Oganov, Artem R.; Zeng, Qingfeng; Zhou, Huai-Ying

    2016-01-01

    Nitrogen hydrides, e.g., ammonia (NH3), hydrazine (N2H4) and hydrazoic acid (HN3), are compounds of great fundamental and applied importance. Their high-pressure behavior is important because of their abundance in giant planets and because of the hopes of discovering high-energy-density materials. Here, we have performed a systematic investigation on the structural stability of N-H system in a pressure range up to 800 GPa through evolutionary structure prediction. Surprisingly, we found that high pressure stabilizes a series of previously unreported compounds with peculiar structural and electronic properties, such as the N4H, N3H, N2H and NH phases composed of nitrogen backbones, the N9H4 phase containing two-dimensional metallic nitrogen planes and novel N8H, NH2, N3H7, NH4 and NH5 molecular phases. Another surprise is that NH3 becomes thermodynamically unstable above ~460 GPa. We found that high-pressure chemistry of hydronitrogens is much more diverse than hydrocarbon chemistry at normal conditions, leading to expectations that N-H-O and N-H-O-S systems under pressure are likely to possess richer chemistry than the known organic chemistry. This, in turn, opens a possibility of nitrogen-based life at high pressure. The predicted phase diagram of the N-H system also provides a reference for synthesis of high-energy-density materials. PMID:27193059

  9. Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences.

    PubMed

    Qian, Guang-Rui; Niu, Haiyang; Hu, Chao-Hao; Oganov, Artem R; Zeng, Qingfeng; Zhou, Huai-Ying

    2016-01-01

    Nitrogen hydrides, e.g., ammonia (NH3), hydrazine (N2H4) and hydrazoic acid (HN3), are compounds of great fundamental and applied importance. Their high-pressure behavior is important because of their abundance in giant planets and because of the hopes of discovering high-energy-density materials. Here, we have performed a systematic investigation on the structural stability of N-H system in a pressure range up to 800 GPa through evolutionary structure prediction. Surprisingly, we found that high pressure stabilizes a series of previously unreported compounds with peculiar structural and electronic properties, such as the N4H, N3H, N2H and NH phases composed of nitrogen backbones, the N9H4 phase containing two-dimensional metallic nitrogen planes and novel N8H, NH2, N3H7, NH4 and NH5 molecular phases. Another surprise is that NH3 becomes thermodynamically unstable above ~460 GPa. We found that high-pressure chemistry of hydronitrogens is much more diverse than hydrocarbon chemistry at normal conditions, leading to expectations that N-H-O and N-H-O-S systems under pressure are likely to possess richer chemistry than the known organic chemistry. This, in turn, opens a possibility of nitrogen-based life at high pressure. The predicted phase diagram of the N-H system also provides a reference for synthesis of high-energy-density materials. PMID:27193059

  10. Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences

    NASA Astrophysics Data System (ADS)

    Qian, Guang-Rui; Niu, Haiyang; Hu, Chao-Hao; Oganov, Artem R.; Zeng, Qingfeng; Zhou, Huai-Ying

    2016-05-01

    Nitrogen hydrides, e.g., ammonia (NH3), hydrazine (N2H4) and hydrazoic acid (HN3), are compounds of great fundamental and applied importance. Their high-pressure behavior is important because of their abundance in giant planets and because of the hopes of discovering high-energy-density materials. Here, we have performed a systematic investigation on the structural stability of N-H system in a pressure range up to 800 GPa through evolutionary structure prediction. Surprisingly, we found that high pressure stabilizes a series of previously unreported compounds with peculiar structural and electronic properties, such as the N4H, N3H, N2H and NH phases composed of nitrogen backbones, the N9H4 phase containing two-dimensional metallic nitrogen planes and novel N8H, NH2, N3H7, NH4 and NH5 molecular phases. Another surprise is that NH3 becomes thermodynamically unstable above ~460 GPa. We found that high-pressure chemistry of hydronitrogens is much more diverse than hydrocarbon chemistry at normal conditions, leading to expectations that N-H-O and N-H-O-S systems under pressure are likely to possess richer chemistry than the known organic chemistry. This, in turn, opens a possibility of nitrogen-based life at high pressure. The predicted phase diagram of the N-H system also provides a reference for synthesis of high-energy-density materials.

  11. Graphene and graphene-based nanomaterials: the promising materials for bright future of electroanalytical chemistry.

    PubMed

    Chen, Xiao-mei; Wu, Geng-huang; Jiang, Ya-qi; Wang, Yi-ru; Chen, Xi

    2011-11-21

    Similar to its popular older cousins of fullerene and carbon nanotubes (CNTs), the latest form of nanocarbon, graphene, is inspiring intensive research efforts in its own right. As an atomically thin layer of sp(2)-hybridized carbon, graphene possesses spectacular electronic, optical, magnetic, thermal and mechanical properties, which make it an exciting material in a variety of important applications. In this review, we present the current advances in the field of graphene electroanalytical chemistry, including the modern methods of graphene production, and graphene functionalization. Electrochemical (bio) sensing developments using graphene and graphene-based materials are summarized in more detail, and we also speculate on their future and discuss potential progress for their applications in electroanalytical chemistry.

  12. Sludge-Derived Biochar for Arsenic(III) Immobilization: Effects of Solution Chemistry on Sorption Behavior.

    PubMed

    Zhang, Weihua; Zheng, Juan; Zheng, Pingping; Tsang, Daniel C W; Qiu, Rongliang

    2015-07-01

    Recycling sewage sludge by pyrolysis has attracted increasing attention for pollutant removal from wastewater and soils. This study scrutinized As(III) sorption behavior on sludge-derived biochar (SDBC) under different pyrolysis conditions and solution chemistry. The SDBC pyrolyzed at a higher temperature showed a lower As(III) sorption capacity and increasingly nonlinear isotherm due to loss of surface sites and deoxygenation-dehydrogenation. The Langmuir sorption capacity on SDBC (3.08-6.04 mg g) was comparable to other waste-derived sorbents, with the highest As(III) sorption on SDBC pyrolyzed at 400°C for 2 h. The As(III) sorption kinetics best fit with the pseudo-second-order equation, thus suggesting the significance of the availability of surface sites and initial concentration. Sorption of As(III) was faster than that of Cr(VI) but slower than that of Pb(II), which was attributed to their differences in molar volume (correlated to diffusion coefficients) and sorption mechanisms. The X-ray photoelectron spectra revealed an increase of oxide oxygen (O) with a decrease of sorbed water, indicative of ligand exchange with hydroxyl groups on SDBC surfaces. The As(III) sorption was not pH dependent in acidic-neutral range (pH < 8) due to the buffering capacity and surface characteristics of the SDBC; however, sorption was promoted by increasing pH in the alkaline range (pH > 8) because of As(III) speciation in solution. An increasing ionic strength (0.001-0.1 mol L) facilitated As(III) sorption, indicating the predominance of ligand exchange over electrostatic interactions, while high concentrations (0.1 mol L) of competing anions (fluoride, sulfate, carbonate, and phosphate) inhibited As(III) sorption. These results suggest that SDBC is applicable for As(III) immobilization in most environmentally relevant conditions. PMID:26437093

  13. The Abiotic Chemistry of Thiolated Acetate Derivatives and the Origin of Life.

    PubMed

    Chandru, Kuhan; Gilbert, Alexis; Butch, Christopher; Aono, Masashi; Cleaves, H James

    2016-07-21

    Thioesters and thioacetic acid (TAA) have been invoked as key reagents for the origin of life as activated forms of acetate analogous to acetyl-CoA. These species could have served as high-energy group-transfer reagents and allowed carbon insertions to form higher molecular weight compounds such as pyruvate. The apparent antiquity of the Wood-Ljungdahl CO2 fixation pathway and its presence in organisms which inhabit hydrothermal (HT) environments has also led to suggestions that there may be a connection between the abiotic chemistry of compounds similar to TAA and the origins of metabolism. These compounds' apparent chemical simplicity has made their prebiotic availability assumed, however, although the kinetic behavior and thermochemical properties of TAA and analogous esters have been preliminarily explored in other contexts, the geochemical relevance of these compounds merits further evaluation. Therefore, the chemical behavior of the simplest thiolated acetic acid derivatives, TAA and methylthioacetate (MTA) were explored here. Using laboratory measurements, literature data, and thermochemical models, we examine the plausibility of the accumulation of these compounds in various geological settings. Due to the high free energy change of their hydrolysis and corresponding low equilibrium constants, it is unlikely that these species could have accumulated abiotically to any significant extant.

  14. The Abiotic Chemistry of Thiolated Acetate Derivatives and the Origin of Life

    PubMed Central

    Chandru, Kuhan; Gilbert, Alexis; Butch, Christopher; Aono, Masashi; Cleaves, H. James

    2016-01-01

    Thioesters and thioacetic acid (TAA) have been invoked as key reagents for the origin of life as activated forms of acetate analogous to acetyl-CoA. These species could have served as high-energy group-transfer reagents and allowed carbon insertions to form higher molecular weight compounds such as pyruvate. The apparent antiquity of the Wood-Ljungdahl CO2 fixation pathway and its presence in organisms which inhabit hydrothermal (HT) environments has also led to suggestions that there may be a connection between the abiotic chemistry of compounds similar to TAA and the origins of metabolism. These compounds’ apparent chemical simplicity has made their prebiotic availability assumed, however, although the kinetic behavior and thermochemical properties of TAA and analogous esters have been preliminarily explored in other contexts, the geochemical relevance of these compounds merits further evaluation. Therefore, the chemical behavior of the simplest thiolated acetic acid derivatives, TAA and methylthioacetate (MTA) were explored here. Using laboratory measurements, literature data, and thermochemical models, we examine the plausibility of the accumulation of these compounds in various geological settings. Due to the high free energy change of their hydrolysis and corresponding low equilibrium constants, it is unlikely that these species could have accumulated abiotically to any significant extant. PMID:27443234

  15. The Abiotic Chemistry of Thiolated Acetate Derivatives and the Origin of Life

    NASA Astrophysics Data System (ADS)

    Chandru, Kuhan; Gilbert, Alexis; Butch, Christopher; Aono, Masashi; Cleaves, H. James

    2016-07-01

    Thioesters and thioacetic acid (TAA) have been invoked as key reagents for the origin of life as activated forms of acetate analogous to acetyl-CoA. These species could have served as high-energy group-transfer reagents and allowed carbon insertions to form higher molecular weight compounds such as pyruvate. The apparent antiquity of the Wood-Ljungdahl CO2 fixation pathway and its presence in organisms which inhabit hydrothermal (HT) environments has also led to suggestions that there may be a connection between the abiotic chemistry of compounds similar to TAA and the origins of metabolism. These compounds’ apparent chemical simplicity has made their prebiotic availability assumed, however, although the kinetic behavior and thermochemical properties of TAA and analogous esters have been preliminarily explored in other contexts, the geochemical relevance of these compounds merits further evaluation. Therefore, the chemical behavior of the simplest thiolated acetic acid derivatives, TAA and methylthioacetate (MTA) were explored here. Using laboratory measurements, literature data, and thermochemical models, we examine the plausibility of the accumulation of these compounds in various geological settings. Due to the high free energy change of their hydrolysis and corresponding low equilibrium constants, it is unlikely that these species could have accumulated abiotically to any significant extant.

  16. The Abiotic Chemistry of Thiolated Acetate Derivatives and the Origin of Life.

    PubMed

    Chandru, Kuhan; Gilbert, Alexis; Butch, Christopher; Aono, Masashi; Cleaves, H James

    2016-01-01

    Thioesters and thioacetic acid (TAA) have been invoked as key reagents for the origin of life as activated forms of acetate analogous to acetyl-CoA. These species could have served as high-energy group-transfer reagents and allowed carbon insertions to form higher molecular weight compounds such as pyruvate. The apparent antiquity of the Wood-Ljungdahl CO2 fixation pathway and its presence in organisms which inhabit hydrothermal (HT) environments has also led to suggestions that there may be a connection between the abiotic chemistry of compounds similar to TAA and the origins of metabolism. These compounds' apparent chemical simplicity has made their prebiotic availability assumed, however, although the kinetic behavior and thermochemical properties of TAA and analogous esters have been preliminarily explored in other contexts, the geochemical relevance of these compounds merits further evaluation. Therefore, the chemical behavior of the simplest thiolated acetic acid derivatives, TAA and methylthioacetate (MTA) were explored here. Using laboratory measurements, literature data, and thermochemical models, we examine the plausibility of the accumulation of these compounds in various geological settings. Due to the high free energy change of their hydrolysis and corresponding low equilibrium constants, it is unlikely that these species could have accumulated abiotically to any significant extant. PMID:27443234

  17. Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.

    PubMed

    Meylemans, Heather A; Harvey, Benjamin G; Reams, Josiah T; Guenthner, Andrew J; Cambrea, Lee R; Groshens, Thomas J; Baldwin, Lawrence C; Garrison, Michael D; Mabry, Joseph M

    2013-03-11

    A series of renewable bis(cyanate) esters have been prepared from bisphenols synthesized by condensation of 2-methoxy-4-methylphenol (creosol) with formaldehyde, acetaldehyde, and propionaldehyde. The cyanate esters have been fully characterized by infrared spectroscopy, (1)H and (13)C NMR spectroscopy, and single crystal X-ray diffraction. These compounds melt from 88 to 143 °C, while cured resins have glass transition temperatures from 219 to 248 °C, water uptake (96 h, 85 °C immersion) in the range of 2.05-3.21%, and wet glass transition temperatures from 174 to 193 °C. These properties suggest that creosol-derived cyanate esters may be useful for a wide variety of military and commercial applications. The cure chemistry of the cyanate esters has been studied with FTIR spectroscopy and differential scanning calorimetry. The results show that cyanate esters with more sterically demanding bridging groups cure more slowly, but also more completely than those with a bridging methylene group. In addition to the structural differences, the purity of the cyanate esters has a significant effect on both the cure chemistry and final Tg of the materials. In some cases, post-cure of the resins at 350 °C resulted in significant decomposition and off-gassing, but cure protocols that terminated at 250-300 °C generated void-free resin pucks without degradation. Thermogravimetric analysis revealed that cured resins were stable up to 400 °C and then rapidly degraded. TGA/FTIR and mass spectrometry results showed that the resins decomposed to phenols, isocyanic acid, and secondary decomposition products, including CO2. Char yields of cured resins under N2 ranged from 27 to 35%, while char yields in air ranged from 8 to 11%. These data suggest that resins of this type may potentially be recycled to parent phenols, creosol, and other alkylated creosols by pyrolysis in the presence of excess water vapor. The ability to synthesize these high temperature resins from a phenol

  18. Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.

    PubMed

    Meylemans, Heather A; Harvey, Benjamin G; Reams, Josiah T; Guenthner, Andrew J; Cambrea, Lee R; Groshens, Thomas J; Baldwin, Lawrence C; Garrison, Michael D; Mabry, Joseph M

    2013-03-11

    A series of renewable bis(cyanate) esters have been prepared from bisphenols synthesized by condensation of 2-methoxy-4-methylphenol (creosol) with formaldehyde, acetaldehyde, and propionaldehyde. The cyanate esters have been fully characterized by infrared spectroscopy, (1)H and (13)C NMR spectroscopy, and single crystal X-ray diffraction. These compounds melt from 88 to 143 °C, while cured resins have glass transition temperatures from 219 to 248 °C, water uptake (96 h, 85 °C immersion) in the range of 2.05-3.21%, and wet glass transition temperatures from 174 to 193 °C. These properties suggest that creosol-derived cyanate esters may be useful for a wide variety of military and commercial applications. The cure chemistry of the cyanate esters has been studied with FTIR spectroscopy and differential scanning calorimetry. The results show that cyanate esters with more sterically demanding bridging groups cure more slowly, but also more completely than those with a bridging methylene group. In addition to the structural differences, the purity of the cyanate esters has a significant effect on both the cure chemistry and final Tg of the materials. In some cases, post-cure of the resins at 350 °C resulted in significant decomposition and off-gassing, but cure protocols that terminated at 250-300 °C generated void-free resin pucks without degradation. Thermogravimetric analysis revealed that cured resins were stable up to 400 °C and then rapidly degraded. TGA/FTIR and mass spectrometry results showed that the resins decomposed to phenols, isocyanic acid, and secondary decomposition products, including CO2. Char yields of cured resins under N2 ranged from 27 to 35%, while char yields in air ranged from 8 to 11%. These data suggest that resins of this type may potentially be recycled to parent phenols, creosol, and other alkylated creosols by pyrolysis in the presence of excess water vapor. The ability to synthesize these high temperature resins from a phenol

  19. Investigation of the redox chemistry of anthraquinone derivatives using density functional theory.

    PubMed

    Bachman, Jonathan E; Curtiss, Larry A; Assary, Rajeev S

    2014-09-25

    Application of density functional calculations to compute electrochemical properties such as redox windows, effect of substitution by electron donating and electron withdrawing groups on redox windows, and solvation free energies for ∼50 anthraquinone (AQ) derivatives are presented because of their potential as anolytes in all-organic redox flow batteries. Computations suggest that lithium ions can increase (by ∼0.4 V) the reduction potential of anthraquinone due to the lithium ion pairing by forming a Lewis base-Lewis acid complex. To design new redox active species, the substitution by electron donating groups is essential to improve the reduction window of AQ with adequate oxidative stability. For instance, a complete methylation of AQ can improve its reduction window by ∼0.4 V. The quantum chemical studies of the ∼50 AQ derivatives are used to derive a relationship that connects the computed LUMO energy and the reduction potential that can be applied as a descriptor for screening thousands of AQ derivatives. Our computations also suggest that incorporating oxy-methyl dioxolane substituents in the AQ framework can increase its interaction with nonaqueous solvent and improve its solubility. Thermochemical calculations for likely bond breaking decomposition reactions of unsubstituted AQ anions suggest that the dianions are relatively stable in the solution. These studies provide an ideal platform to perform further combined experimental and theoretical studies to understand the electrochemical reversibility and solubility of new quinone molecules as energy storage materials.

  20. Nonlinear optical transmission of cyanobacteria-derived optical materials

    NASA Astrophysics Data System (ADS)

    Zhao, Edward H.; Watanabe, Fumiya; Zhao, Wei

    2015-08-01

    Cyanobacteria-derived optical materials for optical limiting applications have been studied in this work. Six samples have been prepared from cyanobacteria including cyanobacteria suspension in water, extracts in water, methanol, and N,N-dimethylformamide, and pyrolyzed cyanobacteria (PCYB) dispersed in dsDNA (sodium salt from salmon testes) solution and sodium dodecyl sulfate solution, respectively. The extracts contain phycocyanin, chlorophyll a, and carotenoids as measured by optical absorption spectroscopy, while the PCYB is a nanostructural composite composed of multi-walled carbon nanotubes, carbon nanoringes, and multilayer graphenes, as revealed by transmission electron microscopy. The optical limiting responses of the samples have been measured at 532 and 756 nm. The PCYB in dsDNA solution has the best limiting performance out of all the cyanobacteria-derived samples. It outperforms carbon black suspension standard at 532 nm and is a broadband limiter, which makes it attractive for optical limiting applications.

  1. Wood-Derived Materials for Green Electronics, Biological Devices, and Energy Applications.

    PubMed

    Zhu, Hongli; Luo, Wei; Ciesielski, Peter N; Fang, Zhiqiang; Zhu, J Y; Henriksson, Gunnar; Himmel, Michael E; Hu, Liangbing

    2016-08-24

    goal of this study is to review the fundamental structures and chemistries of wood and wood-derived materials, which are essential for a wide range of existing and new enabling technologies. The scope of the review covers multiscale materials and assemblies of cellulose, hemicellulose, and lignin as well as other biomaterials derived from wood, in regard to their major emerging applications. Structure-properties-application relationships will be investigated in detail. Understanding the fundamental properties of these structures is crucial for designing and manufacturing products for emerging applications. Today, a more holistic understanding of the interplay between the structure, chemistry, and performance of wood and wood-derived materials is advancing historical applications of these materials. This new level of understanding also enables a myriad of new and exciting applications, which motivate this review. There are excellent reviews already on the classical topic of woody materials, and some recent reviews also cover new understanding of these materials as well as potential applications. This review will focus on the uniqueness of woody materials for three critical applications: green electronics, biological devices, and energy storage and bioenergy. PMID:27459699

  2. Wood-Derived Materials for Green Electronics, Biological Devices, and Energy Applications.

    PubMed

    Zhu, Hongli; Luo, Wei; Ciesielski, Peter N; Fang, Zhiqiang; Zhu, J Y; Henriksson, Gunnar; Himmel, Michael E; Hu, Liangbing

    2016-08-24

    goal of this study is to review the fundamental structures and chemistries of wood and wood-derived materials, which are essential for a wide range of existing and new enabling technologies. The scope of the review covers multiscale materials and assemblies of cellulose, hemicellulose, and lignin as well as other biomaterials derived from wood, in regard to their major emerging applications. Structure-properties-application relationships will be investigated in detail. Understanding the fundamental properties of these structures is crucial for designing and manufacturing products for emerging applications. Today, a more holistic understanding of the interplay between the structure, chemistry, and performance of wood and wood-derived materials is advancing historical applications of these materials. This new level of understanding also enables a myriad of new and exciting applications, which motivate this review. There are excellent reviews already on the classical topic of woody materials, and some recent reviews also cover new understanding of these materials as well as potential applications. This review will focus on the uniqueness of woody materials for three critical applications: green electronics, biological devices, and energy storage and bioenergy.

  3. Holographic recording materials development. [using stilbene, indigo, and thioindigo derivatives

    NASA Technical Reports Server (NTRS)

    1975-01-01

    The area of organic cis-trans photoisomerization systems for holographic memory applications was examined. Photochemical studies were made of stilbene, indigo, and thioindigo derivatives in solution and in a variety of polymer matrix materials, to optimize the photorefractive behavior of the chemical system as a whole. Lithium niobate was used to study the writing and reading efficiencies of thick phase holograms. Both phase-wave holograms and Fourier-transform holograms were employed, and a number of reconstruction techniques are discussed. The possibility of using cis-trans photoisomerization of appropriate organic chemicals as the basis for a holographic recording system is confirmed.

  4. Computational Materials Science and Chemistry: Accelerating Discovery and Innovation through Simulation-Based Engineering and Science

    SciTech Connect

    Crabtree, George; Glotzer, Sharon; McCurdy, Bill; Roberto, Jim

    2010-07-26

    This report is based on a SC Workshop on Computational Materials Science and Chemistry for Innovation on July 26-27, 2010, to assess the potential of state-of-the-art computer simulations to accelerate understanding and discovery in materials science and chemistry, with a focus on potential impacts in energy technologies and innovation. The urgent demand for new energy technologies has greatly exceeded the capabilities of today's materials and chemical processes. To convert sunlight to fuel, efficiently store energy, or enable a new generation of energy production and utilization technologies requires the development of new materials and processes of unprecedented functionality and performance. New materials and processes are critical pacing elements for progress in advanced energy systems and virtually all industrial technologies. Over the past two decades, the United States has developed and deployed the world's most powerful collection of tools for the synthesis, processing, characterization, and simulation and modeling of materials and chemical systems at the nanoscale, dimensions of a few atoms to a few hundred atoms across. These tools, which include world-leading x-ray and neutron sources, nanoscale science facilities, and high-performance computers, provide an unprecedented view of the atomic-scale structure and dynamics of materials and the molecular-scale basis of chemical processes. For the first time in history, we are able to synthesize, characterize, and model materials and chemical behavior at the length scale where this behavior is controlled. This ability is transformational for the discovery process and, as a result, confers a significant competitive advantage. Perhaps the most spectacular increase in capability has been demonstrated in high performance computing. Over the past decade, computational power has increased by a factor of a million due to advances in hardware and software. This rate of improvement, which shows no sign of abating, has

  5. Adsorption of SO2 on sewage sludge-derived materials.

    PubMed

    Bashkova, S; Bagreev, A; Locke, D C; Bandosz, T J

    2001-08-01

    Sewage sludge-derived materials carbonized at temperatures between 400 and 950 degrees C were used for adsorption of sulfur dioxide from dry and moist air. The materials were characterized using sorption of nitrogen and thermal analysis. The sulfur dioxide capacity was measured according to a laboratory-developed breakthrough test. It was found that the capacity of the adsorbents increases with increasing temperature of carbonization. It is likely that during carbonization at high temperatures such catalytic metals as calcium become active. They play a significant role in the SO2 removal process by neutralization of sulfuric acid formed as a result of oxidation of sulfur dioxide in wet conditions. Besides sulfuric acid, various sulfur-containing salts are formed. It was shown that, after their removal using waterwashing,the SO2 capacitysignificantly decreased.

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

    PubMed

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

    2014-10-01

    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. Inhibition of bacterial and leukocyte adhesion under shear stress conditions by material surface chemistry.

    PubMed

    Patel, Jasmine D; Ebert, Michael; Stokes, Ken; Ward, Robert; Anderson, James M

    2003-01-01

    Biomaterial-centered infections, initiated by bacterial adhesion, persist due to a compromised host immune response. Altering implant materials with surface modifying endgroups (SMEs) may enhance their biocompatibility by reducing bacterial and inflammatory cell adhesion. A rotating disc model, which generates shear stress within physiological ranges, was used to characterize adhesion of leukocytes and Staphylococcus epidermidis on polycarbonate-urethanes and polyetherurethanes modified with SMEs (polyethylene oxide, fluorocarbon and dimethylsiloxane) under dynamic flow conditions. Bacterial adhesion in the absence of serum was found to be mediated by shear stress and surface chemistry, with reduced adhesion exhibited on materials modified with polydimethylsiloxane and polyethylene oxide SMEs. In contrast, bacterial adhesion was enhanced on materials modified with fluorocarbon SMEs. In the presence of serum, bacterial adhesion was primarily neither material nor shear dependent. However, bacterial adhesion in serum was significantly reduced to < or = 10% compared to adhesion in serum-free media. Leukocyte adhesion in serum exhibited a shear dependency with increased adhesion occurring in regions exposed to lower shear-stress levels of < or = 7 dyne/cm2. Additionally, polydimethylsiloxane and polyethylene oxide SMEs reduced leukocyte adhesion on polyether-urethanes. In conclusion, these results suggest that surface chemistry and shear stress can mediate bacterial and cellular adhesion. Furthermore, materials modified with polyethylene oxide SMEs are capable of inhibiting bacterial adhesion, consequently minimizing the probability of biomaterial-centered infections.

  8. Phage as a Genetically Modifiable Supramacromolecule in Chemistry, Materials and Medicine

    PubMed Central

    Cao, Binrui; Yang, Mingying; Mao, Chuanbin

    2016-01-01

    CONSPECTUS Filamentous bacteriophage (phage) is a genetically modifiable supramacromolecule. It can be pictured as a semiflexible nanofiber (~900 nm long and ~8 nm wide) made of a DNA core and a protein shell with the former genetically encoding the latter. Although phage bioengineering and phage display techniques were developed before the 1990s, these techniques have not been widely used for chemistry, materials, and biomedical research from the perspective of supramolecular chemistry until recently. Powered by our expertise in displaying a foreign peptide on its surface through engineering phage DNA, we have employed phage to identify target-specific peptides, construct novel organic–inorganic nanohybrids, develop biomaterials for disease treatment, and generate bioanalytical methods for disease diagnosis. Compared with conventional biomimetic chemistry, phage-based supramolecular chemistry represents a new frontier in chemistry, materials science, and medicine. In this Account, we introduce our recent successful efforts in phage-based supramolecular chemistry, by integrating the unique nanofiber-like phage structure and powerful peptide display techniques into the fields of chemistry, materials science, and medicine: (1) successfully synthesized and assembled silica, hydroxyapatite, and gold nanoparticles using phage templates to form novel functional materials; (2) chemically introduced azo units onto the phage to form photoresponsive functional azo-phage nanofibers via a diazotization reaction between aromatic amino groups and the tyrosine residues genetically displayed on phage surfaces; (3) assembled phage into 2D films for studying the effects of both biochemical (the peptide sequences displayed on the phages) and biophysical (the topographies of the phage films) cues on the proliferation and differentiation of mesenchymal stem cells (MSCs) and induced pluripotent stem cells (iPSCs) and identified peptides and topographies that can induce their

  9. Process for stabilizing the viscosity characteristics of coal derived materials and the stabilized materials obtained thereby

    DOEpatents

    Bronfenbrenner, James C.; Foster, Edward P.; Tewari, Krishna

    1985-01-01

    A process is disclosed for stabilizing the viscosity of coal derived materials such as an SRC product by adding up to 5.0% by weight of a light volatile phenolic viscosity repressor. The viscosity will remain stabilized for a period of time of up to 4 months.

  10. Applications of Click Chemistry Reactions to the Synthesis of Functional Materials

    NASA Astrophysics Data System (ADS)

    Accurso, Adrian A.

    This body of work focuses on the production of functional materials using the most reliable carbon-hetoratom bond-forming processes available, which are widely termed "click chemistry" reactions in the literature. This focus on function is enabled by a basis in synthetic chemistry, and where appropriate, brings in techniques from the related fields of materials science and biology to address current needs in those areas. Chapter 1 concerns the in situ production of azide and alkyne-based click chemistry adhesive polymers. Screening of a library of multivalent azides and alkynes was accomplished on a custom-built highthroughput instrument and followed up on a lap-shear testing apparatus. The conductivity of composites made of the adhesive was also explored according to standard methods. The second and third chapters explore the synthesis and function of a family of related [3.3.1]-bicyclononane dichlorides, which we have termed "WCL" electrophiles, and their potential applications for surface functionalization, the synthesis of polycations, and candidate membrane disruptive compounds. The rates of consumption of dichlorides and hydrolysis of model compounds were also explored using NMR, GC-MS, and HPLC-based methods.

  11. Combinatorial computational chemistry approach for materials design: applications in deNOx catalysis, Fischer-Tropsch synthesis, lanthanoid complex, and lithium ion secondary battery.

    PubMed

    Koyama, Michihisa; Tsuboi, Hideyuki; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A; Miyamoto, Akira

    2007-02-01

    Computational chemistry can provide fundamental knowledge regarding various aspects of materials. While its impact in scientific research is greatly increasing, its contributions to industrially important issues are far from satisfactory. In order to realize industrial innovation by computational chemistry, a new concept "combinatorial computational chemistry" has been proposed by introducing the concept of combinatorial chemistry to computational chemistry. This combinatorial computational chemistry approach enables theoretical high-throughput screening for materials design. In this manuscript, we review the successful applications of combinatorial computational chemistry to deNO(x) catalysts, Fischer-Tropsch catalysts, lanthanoid complex catalysts, and cathodes of the lithium ion secondary battery.

  12. Evolution of Chemistry and Its Effects on the Corrosion of Engineered Barrier Materials

    SciTech Connect

    Dunn, Darrell; Pan, Yi-Ming; He, Xihua; Yang, Lietai; Pabalan, Roberto

    2007-07-01

    The evolution of environmental conditions within the emplacement drifts of a potential high-level waste repository at Yucca Mountain, Nevada, may be influenced by several factors, including the temperature and relative humidity within the emplacement drifts and the composition of seepage water. The performance of the waste package and the drip shield may be affected by the evolution of the environmental conditions within the emplacement drifts. In this study, tests evaluated the evolution of environmental conditions on the waste package surfaces and in the surrounding host rock. The tests were designed to (i) simulate the conditions expected within the emplacement drifts; (ii) measure the changes in near-field chemistry; and (iii) determine environmental influence on the performance of the engineered barrier materials. Results of tests conducted in this study indicate the composition of salt deposits was consistent with the initial dilute water chemistry. Salts and possibly concentrated calcium chloride brines may be more aggressive than either neutral or alkaline brines. (authors)

  13. Chemistry {ampersand} Materials Science program report, Weapons Resarch and Development and Laboratory Directed Research and Development FY96

    SciTech Connect

    Chase, L.

    1997-03-01

    This report is the annual progress report for the Chemistry Materials Science Program: Weapons Research and Development and Laboratory Directed Research and Development. Twenty-one projects are described separately by their principal investigators.

  14. Engineering single-molecule, nanoscale, and microscale bio-functional materials via click chemistry

    NASA Astrophysics Data System (ADS)

    Daniele, Michael Angelo-Anthony

    To expand the design envelope and supplement the materials library available to biomaterials scientists, the copper(I)-catalyzed azide-alkyne cycloaddition (CuCAAC) was explored as a route to design, synthesize and characterize bio-functional small-molecules, nanoparticles, and microfibers. In each engineered system, the use of click chemistry provided facile, bio-orthogonal control for materials synthesis; moreover, the results provided a methodology and more complete, fundamental understanding of the use of click chemistry as a tool for the synergy of biotechnology, polymer and materials science. Fluorophores with well-defined photophysical characteristics (ranging from UV to NIR fluorescence) were used as building blocks for small-molecule, fluorescent biosensors. Fluorophores were paired to exhibit fluorescence resonant energy transfer (FRET) and used to probe the metabolic activity of carbazole 1,9a-dioxygenase (CARDO). The FRET pair exhibited a significant variation in PL response with exposure to the lysate of Pseudomonas resinovorans CA10, an organism which can degrade variants of both the donor and acceptor fluorophores. Nanoparticle systems were modified via CuCAAC chemistry to carry affinity tags for CARDO and were subsequently utilized for affinity based bioseparation of CARDO from crude cell lysate. The enzymes were baited with an azide-modified carbazolyl-moiety attached to a poly(propargyl acrylate) nanoparticle. Magnetic nanocluster systems were also modified via CuCAAC chemistry to carry fluorescent imaging tags. The iron-oxide nanoclusters were coated with poly(acrylic acid-co-propargyl acrylate) to provide a clickable surface. Ultimately, alternate Cu-free click chemistries were utilized to produce biohybrid microfibers. The biohybrid microfibers were synthesized under benign photopolymerization conditions inside a microchannel, allowing the encapsulation of viable bacteria. By adjusting pre-polymer solutions and laminar flow rates within the

  15. Synthesis and evaluation of 9-aminoacridines derived from benzyne click chemistry.

    PubMed

    Howell, Lesley A; Howman, Aaron; O'Connell, Maria A; Mueller, Anja; Searcey, Mark

    2009-10-15

    A small set of 9-aminoacridine-3- and 4-carboxamides were synthesized efficiently using the benzyne/azide click chemistry. The products bind to duplex DNA but have different antitumour activity in the HL60 cell line.

  16. Silver/polysaccharide-based nanofibrous materials synthesized from green chemistry approach.

    PubMed

    Martínez-Rodríguez, M A; Garza-Navarro, M A; Moreno-Cortez, I E; Lucio-Porto, R; González-González, V A

    2016-01-20

    In this contribution a novel green chemistry approach for the synthesis of nanofibrous materials based on blends of carboxymethyl-cellulose (CMC)-silver nanoparticles (AgNPs) composite and polyvinyl-alcohol (PVA) is proposed. These nanofibrous materials were obtained from the electrospinning of blends of aqueous solutions of CMC-AgNPs composite and PVA, which were prepared at different CMC/PVA weight ratios in order to electrospin nanofibers applying a constant tension of 15kV. The synthesized materials were characterized by means of transmission electron microscopy, scanning electron microscopy; as well as Fourier-transform infrared, ultraviolet and Raman spectroscopic techniques. Experimental evidence suggests that the diameter of the nanofibers is thinner than any other reported in the literature regarding the electrospinning of CMC. This feature is related to the interactions of AgNPs with carboxyl functional groups of the CMC, which diminish those between the later and acetyl groups of PVA. PMID:26572327

  17. Silver/polysaccharide-based nanofibrous materials synthesized from green chemistry approach.

    PubMed

    Martínez-Rodríguez, M A; Garza-Navarro, M A; Moreno-Cortez, I E; Lucio-Porto, R; González-González, V A

    2016-01-20

    In this contribution a novel green chemistry approach for the synthesis of nanofibrous materials based on blends of carboxymethyl-cellulose (CMC)-silver nanoparticles (AgNPs) composite and polyvinyl-alcohol (PVA) is proposed. These nanofibrous materials were obtained from the electrospinning of blends of aqueous solutions of CMC-AgNPs composite and PVA, which were prepared at different CMC/PVA weight ratios in order to electrospin nanofibers applying a constant tension of 15kV. The synthesized materials were characterized by means of transmission electron microscopy, scanning electron microscopy; as well as Fourier-transform infrared, ultraviolet and Raman spectroscopic techniques. Experimental evidence suggests that the diameter of the nanofibers is thinner than any other reported in the literature regarding the electrospinning of CMC. This feature is related to the interactions of AgNPs with carboxyl functional groups of the CMC, which diminish those between the later and acetyl groups of PVA.

  18. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel…

  19. Chemistry away from local equilibrium: shocking high-energy and energy absorbing materials

    NASA Astrophysics Data System (ADS)

    Strachan, Alejandro

    2015-06-01

    In this presentation I will describe reactive molecular dynamics and coarse grain simulations of shock induced chemistry. MD simulations of the chemical reactions following the shock-induced collapse of cylindrical pores in the high-energy density material RDX provide the first atomistic picture of the shock to deflagration transition in nanoscale hotspots. We find that energy localization during pore collapse leads to ultra-fast, multi-step chemical reactions that occur under non-equilibrium conditions. The formation of exothermic products during the first few picoseconds of the process prevents the hotspot from quenching, and within 30 ps a deflagration wave develops. Quite surprisingly, an artificial hot-spot matching the shock-induced one in size and thermodynamic conditions quenches; providing strong evidence that the dynamic nature of the loading plays a role in determining the criticality of the hotspot. To achieve time and lengths beyond what is possible in MD we developed a mesoscale model that incorporates chemical reactions at a coarse-grained level. We used this model to explore shock propagation on materials that can undergo volume-reducing, endothermic chemical reactions. The simulations show that such chemical reactions can attenuate the shockwave and characterize how the characteristics of the chemistry affect this behavior. We find that the amount of volume collapse and the activation energy are critical to weaken the shock, whereas the endothermicity of the reactions plays only a minor role. As in the reactive MD simulations, we find that the non-equilibrium state following the shock affects the nucleation of chemistry and, thus, the timescales for equilibration between various degrees of freedom affect the response of the material.

  20. Fundamental chemistry and materials science of americium in selected immobilization glasses

    SciTech Connect

    Haire, R.G.; Stump, N.A.

    1996-12-01

    We have pursued some of the fundamental chemistry and materials science of Am in 3 glass matrices, two being high-temperature (850 and 1400 C mp) silicate-based glasses and the third a sol-gel glass. Optical spectroscopy was the principal tool. One aspect of this work was to determine the oxidation state exhibited by Am in these matrices, as well as factors that control or may alter this state. A correlation was noted between the oxidation state of the f-elements in the two high-temperature glasses with their high-temperature oxide chemistries. One exception was Am: although AmO{sub 2} is the stable oxide encountered in air, when this dioxide was incorporated into the high-temperature glasses, only trivalent Am was found in the products. When Am(III) was used to prepare the sol-gel glasses at ambient temperature, and after these products were heated in air to 800 C, only Am(III) was observed. Potential explanations for the unexpected Am behavior is offered in the context of its basic chemistry. Experimental spectra, spectroscopic assignments, etc. are discussed.

  1. Hydrogen storage materials: room-temperature wet-chemistry approach toward mixed-metal borohydrides.

    PubMed

    Jaroń, Tomasz; Orłowski, Piotr A; Wegner, Wojciech; Fijałkowski, Karol J; Leszczyński, Piotr J; Grochala, Wojciech

    2015-01-19

    The poor kinetics of hydrogen evolution and the irreversibility of the hydrogen discharge hamper the use of transition metal borohydrides as hydrogen storage materials, and the drawbacks of current synthetic methods obstruct the exploration of these systems. A wet-chemistry approach, which is based on solvent-mediated metathesis reactions of precursors containing bulky organic cations and weakly coordinating anions, leads to mixed-metal borohydrides that contain only a small amount of "dead mass". The applicability of this method is exemplified by Li[Zn2(BH4)5] and M[Zn(BH4)3] salts (M=Na, K), and its extension to other systems is discussed.

  2. Cytotoxicity of magnetic nanoparticles derived from green chemistry against human cells

    NASA Astrophysics Data System (ADS)

    Hanumandla, Pranitha

    The core-shelled Fe3O4 magnetic nanoparticles (MNPs) have been extensively investigated by the researchers due to their diversified applications. Recently, the study on the toxicity of nanomaterials has been drawn increasing attention to reduce or mitigate the environmental hazards and health risk. The objectives of this thesis are three fold: 1) prepare series functionalized Fe3O4 MNPs and optimize the synthesis variables of; 2) characterize their nanostructures using the state-of-the-art instrumental techniques; and 3) evaluate their cytotoxicity by measurement of nitrogen monoxide (NO) release, reactive oxygen species (ROS) and single oxygen species (SOS) generation. In order to prepare the crystalline Fe3O4 MNPs, a cost-effective and user-friendly wet chemistry (Sol-Gel) method was used. Two Indian medicinal plants were extracted to derive the active chemicals, which were used to functionalize the Fe3O 4 MNPs. The results indicated that the Fe3O4 MNPs were well-indexed with the standard inverse spinel structure (PDF 65-3107, a=8.3905A, α = 90°). The particle's sizes varied from 6-10 nm with the Fe3O 4 MNPs acting as cores and medicinal extracts as shell. The active chemical components extracted from two Hygrophila auriculata/ Chlorophytum borivilianum are fatty acid, Saponins, sterols, carbohydrates and amino acids, which are in agreement with the reported data. Toxicological evaluations of MNPs indicated that the Fe3O4 MNPs functionalized with Hygrophila auriculata/ Chlorophytum borivilianum extract prepared at room temperature were toxic to the cells when compared to the control, and act in a mechanism similar to the actions of hydrogen peroxide (H2O2). These functionalized MNPs, which were prepared at 100 ° C, displayed similar mechanism of action to the anticancer drug (SN-38). It was also found that the MNPs prepared at lower temperatures are less toxic and showed similar mechanism of action as the sodium nitrite (NaNO 2).

  3. Dynamic Covalent Chemistry-based Sensing: Pyrenyl Derivatives of Phenylboronic Acid for Saccharide and Formaldehyde

    NASA Astrophysics Data System (ADS)

    Chang, Xingmao; Fan, Jiayun; Wang, Min; Wang, Zhaolong; Peng, Haonan; He, Gang; Fang, Yu

    2016-08-01

    We synthesized two specially designed pyrenyl (Py) derivatives of phenylboronic acid, PSNB1 and PSNB2, of which PSNB2 self-assemble to form dynamic aggregate in methanol-water mixture (1:99, v/v) via intermolecular H-bonding and pi-pi stacking. Interestingly, the dynamic aggregate shows smart response to presence of fructose (F) as evidenced by fluorescence color change from green to blue. More interestingly, the fluorescence emission of the resulted PSNB2-F changes from blue to green with the addition of formaldehyde (FA). The reason behind is formation of a PSNB2-F dimer via FA cross-linking. Based upon the reactions as found, sensitive and fast sensing of F and FA in water was realized, of which the experimental DLs could be significantly lower than 10 μM for both analytes, and the response times are less than 1 min. It is believed that not only the materials as created may have the potential to find real-life applications but also the strategy as developed can be adopted to develop other dynamic materials.

  4. Dynamic Covalent Chemistry-based Sensing: Pyrenyl Derivatives of Phenylboronic Acid for Saccharide and Formaldehyde

    PubMed Central

    Chang, Xingmao; Fan, Jiayun; Wang, Min; Wang, Zhaolong; Peng, Haonan; He, Gang; Fang, Yu

    2016-01-01

    We synthesized two specially designed pyrenyl (Py) derivatives of phenylboronic acid, PSNB1 and PSNB2, of which PSNB2 self-assemble to form dynamic aggregate in methanol-water mixture (1:99, v/v) via intermolecular H-bonding and pi-pi stacking. Interestingly, the dynamic aggregate shows smart response to presence of fructose (F) as evidenced by fluorescence color change from green to blue. More interestingly, the fluorescence emission of the resulted PSNB2-F changes from blue to green with the addition of formaldehyde (FA). The reason behind is formation of a PSNB2-F dimer via FA cross-linking. Based upon the reactions as found, sensitive and fast sensing of F and FA in water was realized, of which the experimental DLs could be significantly lower than 10 μM for both analytes, and the response times are less than 1 min. It is believed that not only the materials as created may have the potential to find real-life applications but also the strategy as developed can be adopted to develop other dynamic materials. PMID:27498703

  5. Dynamic Covalent Chemistry-based Sensing: Pyrenyl Derivatives of Phenylboronic Acid for Saccharide and Formaldehyde.

    PubMed

    Chang, Xingmao; Fan, Jiayun; Wang, Min; Wang, Zhaolong; Peng, Haonan; He, Gang; Fang, Yu

    2016-01-01

    We synthesized two specially designed pyrenyl (Py) derivatives of phenylboronic acid, PSNB1 and PSNB2, of which PSNB2 self-assemble to form dynamic aggregate in methanol-water mixture (1:99, v/v) via intermolecular H-bonding and pi-pi stacking. Interestingly, the dynamic aggregate shows smart response to presence of fructose (F) as evidenced by fluorescence color change from green to blue. More interestingly, the fluorescence emission of the resulted PSNB2-F changes from blue to green with the addition of formaldehyde (FA). The reason behind is formation of a PSNB2-F dimer via FA cross-linking. Based upon the reactions as found, sensitive and fast sensing of F and FA in water was realized, of which the experimental DLs could be significantly lower than 10 μM for both analytes, and the response times are less than 1 min. It is believed that not only the materials as created may have the potential to find real-life applications but also the strategy as developed can be adopted to develop other dynamic materials. PMID:27498703

  6. The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

    NASA Technical Reports Server (NTRS)

    Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

    1994-01-01

    Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

  7. Earth materials research: Report of a Workshop on Physics and Chemistry of Earth Materials

    NASA Technical Reports Server (NTRS)

    1987-01-01

    The report concludes that an enhanced effort of earth materials research is necessary to advance the understanding of the processes that shape the planet. In support of such an effort, there are new classes of experiments, new levels of analytical sensitivity and precision, and new levels of theory that are now applicable in understanding the physical and chemical properties of geological materials. The application of these capabilities involves the need to upgrade and make greater use of existing facilities as well as the development of new techniques. A concomitant need is for a sample program involving their collection, synthesis, distribution, and analysis.

  8. Assessment of resist outgassing related EUV optics contamination for CAR and non-CAR material chemistries

    NASA Astrophysics Data System (ADS)

    Pollentier, I.; Neira, I.; Gronheid, R.

    2011-04-01

    EUV lithography is expected to be the key lithography option for sub-22nm device manufacturing. In order to meet the required imaging capability, resist performance improvements are being investigated by exploring both chemically amplified resists (CAR) and non-CAR chemistries. Another critical item related to resist chemistry is the EUV irradiation induced outgassing and its risk for optics contamination, especially towards high source power (pre-) productions tools. In this area it is important to characterize for the different chemistries which resist components are critical for EUV induced outgassing and - more important - which can result in non-cleanable mirror contamination. In this paper, we will explore the outgassing and contamination behavior of CAR and non-CAR resist by using Residual Gas Analysis (RGA) for identifying the resist outgassing characteristics, and by Witness Sample (WS) testing to evaluate the tendency for contamination. For CAR resists, it has been found that the PAG cation is a key component contributing to the contamination, but its impact can be changed by changing the resist formulation. In this investigation several model resists have been evaluated in order to understand which chemical components have - or don't have - an impact on the contamination. This has led to a proposal of a definition for a resist family. For non-CAR materials, the investigation has focused to a number of example resists. Most results are related to poly(-olefin sulfones), which have been proven to be good candidate materials for outgassing and contamination learning. The tests have confirmed that aromatic groups present in resist outgassing are playing an important role. As an opposite example of non-CAR material, the inorganic Inpria resist was tested, which revealed that its resist outgassing (water and oxygen) can remove carbon contamination. The combined work on CAR and non-CAR outgassing and contamination has learned significantly on the relationship

  9. Synthesis and lanthanide coordination chemistry of trifluoromethyl derivatives of phosphinoylmethyl pyridine N-oxides

    SciTech Connect

    Pailloux, Sylvie; Shirima, Cornel Edicome; Duesler, Eileen N.; Smith, Karen Ann; Paine, Robert T.; Klaehn, John D.; McIlwain, Michael E; Hay, Benjamin

    2009-01-01

    A synthetic route for the formation of 2-[bis-(2-trifluoromethyl-phenyl)-phosphinoylmethyl]-pyridine N-oxide (1c) and 2-[bis-(3,5-trifluoromethyl-phenyl)-phosphinoylmethyl]-pyridine N-oxide (1d) was developed and the new ligands characterized by spectroscopic methods and single crystal X-ray diffraction analyses. The coordination chemistry of the ligands was examined with early and late lanthanide ions. The molecular structure of one complex, [Yb(1c)(NO3)3(DMF)](DMF)(H2O)0.5, was determined by single crystal X-ray diffraction methods and the ligand found to coordinate in a bidentate fashion. This coordination chemistry is compared against lanthanide coordination chemistry observed for the related ligand, [Ph2P(O)CH2] C5H4NO.

  10. Wet-chemistry processing of powdery raw material for high-tech ceramics

    PubMed Central

    2012-01-01

    The purpose of this study was to develop wet-chemistry approaches for the synthesis of ultradispersed and mesoporous metal oxide powders and powdery composites intended for usage in the production of ceramic materials with desired properties. The focus is on the development of template synthesis of mesoporous metal silicates as well as obtaining nano- and subnanopowders by a modified sol-gel technique and template methods. Families of mesoporous (2 to 300 nm) metal silicates and nano-oxides and subnanopowders (4 to 300 nm) were synthesized by the template method and modified sol-gel technique, respectively. Texture and morphology of the obtained objects have been studied by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, Brunauer-Emmett-Teller analysis, and N2 adsorption-desorption. It was found that morphological parameters of the metal oxide obtained by the modified sol-gel technique depend nonlinearly on the initial molar ratio value of the sol stabilizer and metal in the reaction medium as well as the nature of the stabilizer. It has been shown that the nature of structure-directing components determines the morphology of the silicate obtained by the template method: dispersion and shape of its particles. The developed laboratory technology corresponds to the conception of soft chemistry and may be adapted to the manufacture of ultradispersed materials for catalysis, solar cells, fuel cells, semiconductors, sensors, low-sized electronic devices of new generation, etc. PMID:22221657

  11. Wet-chemistry processing of powdery raw material for high-tech ceramics

    NASA Astrophysics Data System (ADS)

    Trusova, Elena A.; Vokhmintcev, Kirill V.; Zagainov, Igor V.

    2012-01-01

    The purpose of this study was to develop wet-chemistry approaches for the synthesis of ultradispersed and mesoporous metal oxide powders and powdery composites intended for usage in the production of ceramic materials with desired properties. The focus is on the development of template synthesis of mesoporous metal silicates as well as obtaining nano- and subnanopowders by a modified sol-gel technique and template methods. Families of mesoporous (2 to 300 nm) metal silicates and nano-oxides and subnanopowders (4 to 300 nm) were synthesized by the template method and modified sol-gel technique, respectively. Texture and morphology of the obtained objects have been studied by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, Brunauer-Emmett-Teller analysis, and N2 adsorption-desorption. It was found that morphological parameters of the metal oxide obtained by the modified sol-gel technique depend nonlinearly on the initial molar ratio value of the sol stabilizer and metal in the reaction medium as well as the nature of the stabilizer. It has been shown that the nature of structure-directing components determines the morphology of the silicate obtained by the template method: dispersion and shape of its particles. The developed laboratory technology corresponds to the conception of soft chemistry and may be adapted to the manufacture of ultradispersed materials for catalysis, solar cells, fuel cells, semiconductors, sensors, low-sized electronic devices of new generation, etc.

  12. Osteoblast function on nanophase alumina materials: Influence of chemistry, phase, and topography.

    PubMed

    Price, Rachel L; Gutwein, Luke G; Kaledin, Leonid; Tepper, Frederick; Webster, Thomas J

    2003-12-15

    Alumina is a material that has been used in both dental and orthopedic applications. It is with these uses in mind that osteoblast (bone-forming cell) function on alumina of varying particulate size, chemistry, and phase was tested in order to determine what formulation might be the most beneficial for bone regeneration. Specifically, in vitro osteoblast adhesion, proliferation, intracellular alkaline phosphatase activity, and calcium deposition was observed on delta-phase nanospherical, alpha-phase conventional spherical, and boehmite nanofiber alumina. Results showed for the first time increased osteoblast functions on the nanofiber alumina. Specifically, a 16% increase in osteoblast adhesion over nanophase spherical alumina and a 97% increase over conventional spherical alumina were found for nanofiber alumina after 2 h. A 29% increase in cell number after 5 days and up to a 57% greater amount of calcium was found on the surface of the nanofiber alumina compared with other alumina surfaces. Some of the possible explanations for such enhanced osteoblast behavior on nanofiber alumina may be attributed to chemistry, crystalline phase, and topography. Increased osteoblast function on nanofiber alumina suggests that it may be an ideal material for use in orthopedic and dental applications.

  13. Isotopic Fractionation in Primitive Material: Quantifying the Contribution of Interstellar Chemistry

    NASA Technical Reports Server (NTRS)

    Charnley, Steven

    2010-01-01

    Anomalously fractionated isotopic material is found in many primitive Solar System objects, such as meteorites and comets. It is thought, in some cases, to trace interstellar matter that was incorporated into the Solar Nebula without undergoing significant processing. We will present the results of models of the nitrogen, oxygen, and carbon fractionation chemistry in dense molecular clouds, particularly in cores where substantial freeze-out of molecules on to dust has occurred. The range of fractionation ratios expected in different interstellar molecules will be discussed and compared to the ratios measured in molecular clouds, comets and meteoritic material. These models make several predictions that can be tested in the near future by molecular line observations, particularly with ALMA.

  14. Chemistry of green encapsulating molding compounds at interfaces with other materials in electronic devices

    NASA Astrophysics Data System (ADS)

    Scandurra, A.; Zafarana, R.; Tenya, Y.; Pignataro, S.

    2004-07-01

    The interface chemistry between encapsulating epoxy phenolic molding compound (EMC) containing phosphorous based organic flame retardant (the so called "green materials") and copper oxide-hydroxide and aluminum oxide-hydroxide surfaces have been studied in comparison with "conventional" EMC containing bromine and antimony as flame retardant. These green materials are designed to reduce the presence of toxic elements in the electronic packages and, consequently, in the environment. For the study were used a Scanning Acoustic Microscopy for delamination measurements, a dynamometer for the pull strength measurements and an ESCA spectrometer for chemical analysis of the interface. The general behavior of the green compound in terms of delamination, adhesion, and corrosion is found better or at least comparable than that of the conventional EMC.

  15. Computational chemistry modeling and design of photoswitchable alignment materials for optically addressable liquid crystal devices

    NASA Astrophysics Data System (ADS)

    Marshall, K. L.; Sekera, E. R.; Xiao, K.

    2015-09-01

    Photoalignment technology based on optically switchable "command surfaces" has been receiving increasing interest for liquid crystal optics and photonics device applications. Azobenzene compounds in the form of low-molar-mass, watersoluble salts deposited either directly on the substrate surface or after dispersion in a polymer binder have been almost exclusively employed for these applications, and ongoing research in the area follows a largely empirical materials design and development approach. Recent computational chemistry advances now afford unprecedented opportunities to develop predictive capabilities that will lead to new photoswitchable alignment layer materials with low switching energies, enhanced bistability, write/erase fatigue resistance, and high laser-damage thresholds. In the work described here, computational methods based on the density functional theory and time-dependent density functional theory were employed to study the impact of molecular structure on optical switching properties in photoswitchable methacrylate and acrylamide polymers functionalized with azobenzene and spiropyran pendants.

  16. A chemistry and material perspective on lithium redox flow batteries towards high-density electrical energy storage.

    PubMed

    Zhao, Yu; Ding, Yu; Li, Yutao; Peng, Lele; Byon, Hye Ryung; Goodenough, John B; Yu, Guihua

    2015-11-21

    Electrical energy storage system such as secondary batteries is the principle power source for portable electronics, electric vehicles and stationary energy storage. As an emerging battery technology, Li-redox flow batteries inherit the advantageous features of modular design of conventional redox flow batteries and high voltage and energy efficiency of Li-ion batteries, showing great promise as efficient electrical energy storage system in transportation, commercial, and residential applications. The chemistry of lithium redox flow batteries with aqueous or non-aqueous electrolyte enables widened electrochemical potential window thus may provide much greater energy density and efficiency than conventional redox flow batteries based on proton chemistry. This Review summarizes the design rationale, fundamentals and characterization of Li-redox flow batteries from a chemistry and material perspective, with particular emphasis on the new chemistries and materials. The latest advances and associated challenges/opportunities are comprehensively discussed. PMID:26265165

  17. A chemistry and material perspective on lithium redox flow batteries towards high-density electrical energy storage.

    PubMed

    Zhao, Yu; Ding, Yu; Li, Yutao; Peng, Lele; Byon, Hye Ryung; Goodenough, John B; Yu, Guihua

    2015-11-21

    Electrical energy storage system such as secondary batteries is the principle power source for portable electronics, electric vehicles and stationary energy storage. As an emerging battery technology, Li-redox flow batteries inherit the advantageous features of modular design of conventional redox flow batteries and high voltage and energy efficiency of Li-ion batteries, showing great promise as efficient electrical energy storage system in transportation, commercial, and residential applications. The chemistry of lithium redox flow batteries with aqueous or non-aqueous electrolyte enables widened electrochemical potential window thus may provide much greater energy density and efficiency than conventional redox flow batteries based on proton chemistry. This Review summarizes the design rationale, fundamentals and characterization of Li-redox flow batteries from a chemistry and material perspective, with particular emphasis on the new chemistries and materials. The latest advances and associated challenges/opportunities are comprehensively discussed.

  18. The Effectiveness of Substituting Locally Available Materials in Teaching Chemistry in Nigeria: A Case for Science Education in Developing Countries

    ERIC Educational Resources Information Center

    DomNwachukwu, Nkechi S.; DomNwachukwu, Chinaka S.

    2006-01-01

    This article investigates the effectiveness of improvising locally available materials for teaching chemistry in Nigeria, as a case for a culture of improvisation for teaching the sciences in developing countries. The scarcity and cost of imported materials for teaching science has remained a major challenge to teaching sciences in developing…

  19. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and experiments for chemistry. Topics include superheavy elements, polarizing power and chemistry of alkali metals, particulate carbon from combustion, tips for the chemistry laboratory, interesting/colorful experiments, behavior of bismuth (III) iodine, and…

  20. Materials behavior in alternate (hydrogen) water chemistry in the Ringhals-1 boiling water reactor

    SciTech Connect

    Ljungberg, L.G.; Cubicciotti, D.; Trolle, M.

    1986-05-01

    In-plant studies on the intergranular stress corrosion cracking (IGSCC) of sensitized austenitic stainless steel (SS) have been performed at the Swedish Ringhals-1 boiling water reactor (BWR). The studies have covered the present (full-temperature (normal)) water chemistry (PWC) and the alternate (primary) water chemistry (AWC) with hydrogen addition. The test techniques applied were constant extension rate testing (CERT) and electrochemical potential (ECP) measurements. The program was covered by extensive environment monitoring. The results verify earlier laboratory studies which show that sensitized austenitic SS is susceptible to IGSCC in PWC, but not in AWC. Other pressure-bearing BWR construction materials are not adversely affected by AWC. The boundary conditions in Ringhals-1 have been established for an AWC, which is defined as an environment that does not produce IGSCC in sensitized SS. The results are compared with a similar program at Dresden-2, and the points of agreement and discordance in the results are discussed. The relevance of ECP measurements for the control of AWC is discussed.

  1. Creating a Discovery Platform for Confined-Space Chemistry and Materials: Metal-Organic Frameworks.

    SciTech Connect

    Allendorf, Mark D.; Greathouse, Jeffery A.; Simmons, Blake

    2008-09-01

    Metal organic frameworks (MOF) are a recently discovered class of nanoporous, defect-free crystalline materials that enable rational design and exploration of porous materials at the molecular level. MOFs have tunable monolithic pore sizes and cavity environments due to their crystalline nature, yielding properties exceeding those of most other porous materials. These include: the lowest known density (91% free space); highest surface area; tunable photoluminescence; selective molecular adsorption; and methane sorption rivaling gas cylinders. These properties are achieved by coupling inorganic metal complexes such as ZnO4 with tunable organic ligands that serve as struts, allowing facile manipulation of pore size and surface area through reactant selection. MOFs thus provide a discovery platform for generating both new understanding of chemistry in confined spaces and novel sensors and devices based on their unique properties. At the outset of this project in FY06, virtually nothing was known about how to couple MOFs to substrates and the science of MOF properties and how to tune them was in its infancy. An integrated approach was needed to establish the required knowledge base for nanoscale design and develop methodologies integrate MOFs with other materials. This report summarizes the key accomplishments of this project, which include creation of a new class of radiation detection materials based on MOFs, luminescent MOFs for chemical detection, use of MOFs as templates to create nanoparticles of hydrogen storage materials, MOF coatings for stress-based chemical detection using microcantilevers, and "flexible" force fields that account for structural changes in MOFs that occur upon molecular adsorption/desorption. Eight journal articles, twenty presentations at scientific conferences, and two patent applications resulted from the work. The project created a basis for continuing development of MOFs for many Sandia applications and succeeded in securing $2.75 M in

  2. My maize and blue brick road to physical organic chemistry in materials.

    PubMed

    McNeil, Anne J

    2016-01-01

    Similar to Dorothy's journey along the yellow brick road in The Wizard of Oz, this perspective carves out the path I took from my early childhood fascinations with science through my independent career at the University of Michigan (maize and blue). The influential research projects and mentors are highlighted, including some fortuitous experimental results that drew me into the field of supramolecular chemistry, specifically, and organic materials, broadly. My research group's efforts toward designing new sensors based on small molecule gelators are described. In particular, I highlight how our design strategy has evolved as we learn more about molecular gelators. This perspective concludes with some predictions about where molecular gels, as well as my personal and professional life, are headed.

  3. My maize and blue brick road to physical organic chemistry in materials

    PubMed Central

    2016-01-01

    Summary Similar to Dorothy’s journey along the yellow brick road in The Wizard of Oz, this perspective carves out the path I took from my early childhood fascinations with science through my independent career at the University of Michigan (maize and blue). The influential research projects and mentors are highlighted, including some fortuitous experimental results that drew me into the field of supramolecular chemistry, specifically, and organic materials, broadly. My research group’s efforts toward designing new sensors based on small molecule gelators are described. In particular, I highlight how our design strategy has evolved as we learn more about molecular gelators. This perspective concludes with some predictions about where molecular gels, as well as my personal and professional life, are headed. PMID:26977181

  4. A Comprehensive Evaluation of the Performance and Materials Chemistry of a Sililcone-Based Replicating Compound

    SciTech Connect

    Kalan, Michael

    2014-05-01

    The objective of this project was to characterize the performance and chemistry of a siliconebased replicating compound. Some silicone replicating compounds are useful for critical inspection of surface features. Common applications are for examining micro-cracks, surface pitting, scratching, and other surface defects. Materials characterization techniques were used: FTIR, XPS, ToF-SIMS, AFM, and Confocal Microscopy to evaluate the replicating compound. These techniques allowed for the characterization and verification of the resolution capabilities and surface contamination that may be a result of using the compound. FTIR showed the compound is entirely made from silicone constituents. The AFM and Confocal Microscopy results showed the compound does accurately replicate the surface features to the claimed resolution. XPS and ToF-SIMS showed there is a silicone contaminant layer left behind when a cured replica is peeled off a surface. Attempts to clean off the contamination could not completely remove all silicone residues.

  5. Viscoelasticity of living materials: mechanics and chemistry of muscle as an active macromolecular system.

    PubMed

    Qian, Hong

    2008-06-01

    At the molecular and cellular level, mechanics and chemistry are two aspects of the same macromolecular system. We present a bottom-up approach to such systems based on Kramers' diffusion theory of chemical reactions, the theory of polymer dynamics, and the recently developed models for molecular motors. Using muscle as an example, we develop a viscoelastic theory of muscle in terms of an simple equation for single motor protein movement. Both A.V. Hill's contractile component and A.F. Huxley's equation of sliding-filament motion are shown to be special cases of the general viscoelastic theory of the active material. Some disparity between the mechanical and the chemical views of cross-bridges and motor proteins are noted, and a duality between force and energy in discrete states and transitions of macromolecular systems is discussed.

  6. Patterning Self-Assembled Monolayers on Gold: Green Materials Chemistry in the Teaching Laboratory

    ERIC Educational Resources Information Center

    McFarland, Adam D.; Huffman, Lauren M.; Parent, Kathryn, E.; Hutchison, James E.; Thompson, John E.

    2004-01-01

    An experiment demonstrating self-assembled monolayer (SAM) chemistry, organic thin-film patterning and the use of molecular functionality to control macroscopic properties is described. Several important green chemistry principles are introduced.

  7. Development and Assessment of Green, Research-Based Instructional Materials for the General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Cacciatore, Kristen L.

    2010-01-01

    This research entails integrating two novel approaches for enriching student learning in chemistry into the context of the general chemistry laboratory. The first is a pedagogical approach based on research in cognitive science and the second is the green chemistry philosophy. Research has shown that inquiry-based approaches are effective in…

  8. F- and H-Area Seepage Basins Water Treatment System Process Optimization and Alternative Chemistry Ion Exchange/Sorbent Material Screening Clearwell Overflow Study

    SciTech Connect

    Serkiz, S.M.

    2000-08-30

    This study investigated alternative ion exchange/sorbent materials and polishing chemistries designed to remove specific radionuclides not removed during the neutralization/precipitation/clarification process.

  9. 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

  10. Sintered silicon carbide: a new ceramic vessel material for microwave chemistry in single-mode reactors.

    PubMed

    Gutmann, Bernhard; Obermayer, David; Reichart, Benedikt; Prekodravac, Bojana; Irfan, Muhammad; Kremsner, Jennifer M; Kappe, C Oliver

    2010-10-25

    Silicon carbide (SiC) is a strongly microwave absorbing chemically inert ceramic material that can be utilized at extremely high temperatures due to its high melting point and very low thermal expansion coefficient. Microwave irradiation induces a flow of electrons in the semiconducting ceramic that heats the material very efficiently through resistance heating mechanisms. The use of SiC carbide reaction vessels in combination with a single-mode microwave reactor provides an almost complete shielding of the contents inside from the electromagnetic field. Therefore, such experiments do not involve electromagnetic field effects on the chemistry, since the semiconducting ceramic vial effectively prevents microwave irradiation from penetrating the reaction mixture. The involvement of electromagnetic field effects (specific/nonthermal microwave effects) on 21 selected chemical transformations was evaluated by comparing the results obtained in microwave-transparent Pyrex vials with experiments performed in SiC vials at the same reaction temperature. For most of the 21 reactions, the outcome in terms of conversion/purity/product yields using the two different vial types was virtually identical, indicating that the electromagnetic field had no direct influence on the reaction pathway. Due to the high chemical resistance of SiC, reactions involving corrosive reagents can be performed without degradation of the vessel material. Examples include high-temperature fluorine-chlorine exchange reactions using triethylamine trihydrofluoride, and the hydrolysis of nitriles with aqueous potassium hydroxide. The unique combination of high microwave absorptivity, thermal conductivity, and effusivity on the one hand, and excellent temperature, pressure and corrosion resistance on the other hand, makes this material ideal for the fabrication of reaction vessels for use in microwave reactors.

  11. The acute toxicity of coal liquefaction-derived materials.

    PubMed

    McKee, R H; Biles, R W; Kapp, R W; Hinz, J P

    1984-08-01

    The acute toxicity of a series of potential streams from the EDS coal liquefaction process have been assessed in animal bioassays. In general, the materials present minimal acute toxic hazards. However, there was some evidence of ocular and dermal irritation. These results indicate that eye and dermal contact should be minimized, particularly when the process streams contain high concentrations of phenolic materials.

  12. Sol-Gel Synthesis of a Biotemplated Inorganic Photocatalyst: A Simple Experiment for Introducing Undergraduate Students to Materials Chemistry

    ERIC Educational Resources Information Center

    Boffa, Vittorio; Yue, Yuanzheng; He, Wen

    2012-01-01

    As part of a laboratory course, undergraduate students were asked to use baker's yeast cells as biotemplate in preparing TiO[subscript 2] powders and to test the photocatalytic activity of the resulting materials. This laboratory experience, selected because of the important environmental implications of soft chemistry and photocatalysis, provides…

  13. Chemistry and materials science progress report. Weapons-supporting research and laboratory directed research and development: FY 1995

    SciTech Connect

    1996-04-01

    This report covers different materials and chemistry research projects carried out a Lawrence Livermore National Laboratory during 1995 in support of nuclear weapons programs and other programs. There are 16 papers supporting weapons research and 12 papers supporting laboratory directed research.

  14. Effect of Clickers "versus" Online Homework on Students' Long-Term Retention of General Chemistry Course Material

    ERIC Educational Resources Information Center

    Gebru, Misganaw T.; Phelps, Amy J.; Wulfsberg, Gary

    2012-01-01

    This study reports the effects of student response systems (clickers) "versus" online homework on students' long-term retention of General Chemistry I course material. Long-term content retention was measured by a comprehensive yearlong American Chemical Society (ACS) GC97 exam administered seven months after students had completed the General…

  15. Biologic properties of surgical scaffold materials derived from dermal ECM.

    PubMed

    Kulig, Katherine M; Luo, Xiao; Finkelstein, Eric B; Liu, Xiang-Hong; Goldman, Scott M; Sundback, Cathryn A; Vacanti, Joseph P; Neville, Craig M

    2013-07-01

    Surgical scaffold materials manufactured from donor human or animal tissue are increasingly being used to promote soft tissue repair and regeneration. The clinical product consists of the residual extracellular matrix remaining after a rigorous decellularization process. Optimally, the material provides both structural support during the repair period and cell guidance cues for effective incorporation into the regenerating tissue. Surgical scaffold materials are available from several companies and are unique products manufactured by proprietary methodology. A significant need exists for a more thorough understanding of scaffold properties that impact the early steps of host cell recruitment and infiltration. In this study, a panel of in vitro assays was used to make direct comparisons of several similar, commercially-available materials: Alloderm, Medeor Matrix, Permacol, and Strattice. Differences in the materials were detected for both cell signaling and scaffold architecture-dependent cell invasion. Material-conditioned media studies found Medeor Matrix to have the greatest positive effect upon cell proliferation and induction of migration. Strattice provided the greatest chemotaxis signaling and best suppressed apoptotic induction. Among assays measuring structure-dependent properties, Medeor Matrix was superior for cell attachment, followed by Permacol. Only Alloderm and Medeor Matrix supported chemotaxis-driven cell invasion beyond the most superficial zone. Medeor Matrix was the only material in the chorioallantoic membrane assay to support substantial cell invasion. These results indicate that both biologic and structural properties need to be carefully assessed in the considerable ongoing efforts to develop new uses and products in this important class of biomaterials.

  16. The gas phase ion/molecule chemistry of four carbanions generated from vinylene carbonate and its methyl and dimethyl derivatives

    NASA Astrophysics Data System (ADS)

    Robinson, Marin S.; Breitbeil, Fred W.

    1992-09-01

    The gas phase ion/molecule chemistry of four carbanions generated by the reaction of vinylene carbonate, and its methyl and dimethyl derivatives with hydroxide ion has been investigated. From the parent the sole product is the ketenyl anion, HC[triple bond; length as m-dash]C---O-, arising from vinylic proton abstraction and loss of CO2. From the dimethyl derivative, abstraction of an allylic proton from one of the methyl groups followed by loss of CO2 leads exclusively to CH2=CC(O)CH3. Both pathways are observed for the monomethyl derivative, leading to a mixture of the ions CH3C[triple bond; length as m-dash]C---O- and CH2=CCHO. The ketenyl and methyl ketenyl ions do not exchange hydrogen for deuterium with D2O or CH3OD, but they do react with CS2 and COS to form the corresponding thioketenyl anions, HC[triple bond; length as m-dash]C---S- and CH3C=C---S-. The ions CH2=CC(O)CH3 and CH2=CCHO exchange one and three hydrogen atoms for deuterium atoms with D2O respectively, and react with CS2 to form thioketenyl anions by addition and loss of thioformaldehyde. Possible mechanisms for these reactions are discussed.

  17. Method for deriving information regarding stress from a stressed ferromagnetic material

    DOEpatents

    Jiles, D.C.

    1991-04-30

    A nondestructive evaluation technique is disclosed for deriving stress in ferromagnetic materials including deriving anhysteretic and hysteresis magnetization curves for the material in both unstressed and stressed states. The anhysteretic curve is expressed as a Langevin function. The stress is expressed as an equivalent magnetic field dependent on stress and change of magnetostriction with magnetization. By measurement of these bulk magnetic properties, stress can be derived.

  18. Method for deriving information regarding stress from a stressed ferromagnetic material

    DOEpatents

    Jiles, David C.

    1991-04-30

    A non-destructive evaluation technique for deriving stress in ferromagnetic materials including deriving anhysteretic and hysteresis magnetization curves for the material in both unstressed and stressed states. The anhysteretic curve is expressed as a Langevin function. The stress is expressed as an equivalent magnetic field dependent on stress and change of magnetostriction with magnetization. By measurement of these bulk magnetic properties, stress can be derived.

  19. Modification of chitosan derivatives of environmental and biological interest: a green chemistry approach.

    PubMed

    Abdelaal, Magdy Y; Sobahi, Tariq R; Al-Shareef, Hossa F

    2013-04-01

    Chitosan is a non-toxic polyaminosaccharide that is available in a variety of useful forms, and its chemical and biological properties make it a very attractive biomaterial that could be used in a wide variety of medicinal applications. This work focuses on the preparation of different chitosan derivatives by treatment with ethyl cellulose, cellulose triacetate and different carbohydrates in both neutral and slightly acidic media. It also addresses modification with glycidyltrimethyl ammonium chloride, phthalic anhydride and succinic acid derivatives. The obtained derivatives were crosslinked with glutaraldehyde. Thermo-gravimetric (TGA) and FT-IR spectroscopic analyses and electron scanning microscopy (SEM) were used to characterize the obtained products and demonstrate the success of the chitosan-modification process. The obtained products were tested for their ability to uptake transition metal ions from aqueous solutions, and their ion-uptake efficiency was determined with the aid of the ICP-AES technique. The bioactivity of some selected products was tested to study the effect of their concentrations on selected microorganisms. Burkholderia cepaci, Aspergillus niger, and Candida albicans were selected as representative examples of bacteria, yeasts and fungi, respectively. PMID:23376358

  20. Modification of chitosan derivatives of environmental and biological interest: a green chemistry approach.

    PubMed

    Abdelaal, Magdy Y; Sobahi, Tariq R; Al-Shareef, Hossa F

    2013-04-01

    Chitosan is a non-toxic polyaminosaccharide that is available in a variety of useful forms, and its chemical and biological properties make it a very attractive biomaterial that could be used in a wide variety of medicinal applications. This work focuses on the preparation of different chitosan derivatives by treatment with ethyl cellulose, cellulose triacetate and different carbohydrates in both neutral and slightly acidic media. It also addresses modification with glycidyltrimethyl ammonium chloride, phthalic anhydride and succinic acid derivatives. The obtained derivatives were crosslinked with glutaraldehyde. Thermo-gravimetric (TGA) and FT-IR spectroscopic analyses and electron scanning microscopy (SEM) were used to characterize the obtained products and demonstrate the success of the chitosan-modification process. The obtained products were tested for their ability to uptake transition metal ions from aqueous solutions, and their ion-uptake efficiency was determined with the aid of the ICP-AES technique. The bioactivity of some selected products was tested to study the effect of their concentrations on selected microorganisms. Burkholderia cepaci, Aspergillus niger, and Candida albicans were selected as representative examples of bacteria, yeasts and fungi, respectively.

  1. 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.

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

    DOE PAGES

    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 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

  3. Summative Evaluation of Polymers, Composites & Sports Materials: An Introduction to Chemistry and Physics.

    NASA Astrophysics Data System (ADS)

    Hagedorn, Eric

    2008-03-01

    During Fall 2007, 70 pre-science freshman completed a one-credit science course with three goals: 1) enhance and maintain student interest in science majors while completing necessary prerequisite mathematics courses, 2) provide students with a solid content & mathematical foundation for introductory physics and chemistry, and 3) pilot hands-on activities developed for the Materials World Modules program. Eight pre/post quizzes, along with a midterm and final were used to assess student learning. Traditional course evaluations were supplemented with completed SALG (Student Assessment of Learning Gains) instruments. Analysis of these data indicated the following: 1) on 6 out of 7 pre-post quizzes, students showed statistically significant gains with medium or large effect sizes, 2) while students who completed the SALG instrument found all aspects of the course helpful, the hands-on activities were not as helpful as intended, and 3) logistical issues had the most detrimental impact on this course. The evaluation results have led to a number of changes for the Fall 2008 offering of this course.

  4. Immunity induced by a broad class of inorganic crystalline materials is directly controlled by their chemistry

    PubMed Central

    Williams, Gareth R.; Fierens, Kaat; Preston, Stephen G.; Lunn, Daniel; Rysnik, Oliwia; De Prijck, Sofie; Kool, Mirjam; Buckley, Hannah C.; O’Hare, Dermot; Austyn, Jonathan M.

    2014-01-01

    There is currently no paradigm in immunology that enables an accurate prediction of how the immune system will respond to any given agent. Here we show that the immunological responses induced by members of a broad class of inorganic crystalline materials are controlled purely by their physicochemical properties in a highly predictable manner. We show that structurally and chemically homogeneous layered double hydroxides (LDHs) can elicit diverse human dendritic cell responses in vitro. Using a systems vaccinology approach, we find that every measured response can be modeled using a subset of just three physical and chemical properties for all compounds tested. This correlation can be reduced to a simple linear equation that enables the immunological responses stimulated by newly synthesized LDHs to be predicted in advance from these three parameters alone. We also show that mouse antigen–specific antibody responses in vivo and human macrophage responses in vitro are controlled by the same properties, suggesting they may control diverse responses at both individual component and global levels of immunity. This study demonstrates that immunity can be determined purely by chemistry and opens the possibility of rational manipulation of immunity for therapeutic purposes. PMID:24799501

  5. Cadmium isotope fractionation of materials derived from various industrial processes.

    PubMed

    Martinková, Eva; Chrastný, Vladislav; Francová, Michaela; Šípková, Adéla; Čuřík, Jan; Myška, Oldřich; Mižič, Lukáš

    2016-01-25

    Our study represents ϵ(114/110) Cd NIST3108 values of materials resulting from anthropogenic activities such as coal burning, smelting, refining, metal coating, and the glass industry. Additionally, primary sources (ore samples, pigment, coal) processed in the industrial premises were studied. Two sphalerites, galena, coal and pigment samples exhibited ϵ(114/110) CdNIST3108 values of 1.0±0.2, 0.2±0.2, 1.3±0.1, -2.3±0.2 and -0.1±0.3, respectively. In general, all studied industrial processes were accompanied by Cd isotope fractionation. Most of the industrial materials studied were clearly distinguishable from the samples used as a primary source based on ϵ(114/110) Cd NIST3108 values. The heaviest ϵ(114/110) CdNIST3108 value of 58.6±0.9 was found for slag resulting from coal combustion, and the lightest ϵ(114/110) CdNIST3108 value of -23±2.5 was observed for waste material after Pb refinement. It is evident that ϵ(114/110) Cd NIST3108 values depend on technological processes, and in case of incomplete Cd transfer from source to final waste material, every industrial activity creates differences in Cd isotope composition. Our results show that Cd isotope analysis is a promising tool to track the origins of industrial waste products. PMID:26452089

  6. Characterization of surface active materials derived from farm products

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Surface active materials obtained by chemical modification of plant protein isolates (lupin, barley, oat), corn starches (dextrin, normal, high amylose, and waxy) and soybean oil (soybean oil based polysoaps, SOPS) were investigated for their surface and interfacial properties using axisymmetric dro...

  7. Cadmium isotope fractionation of materials derived from various industrial processes.

    PubMed

    Martinková, Eva; Chrastný, Vladislav; Francová, Michaela; Šípková, Adéla; Čuřík, Jan; Myška, Oldřich; Mižič, Lukáš

    2016-01-25

    Our study represents ϵ(114/110) Cd NIST3108 values of materials resulting from anthropogenic activities such as coal burning, smelting, refining, metal coating, and the glass industry. Additionally, primary sources (ore samples, pigment, coal) processed in the industrial premises were studied. Two sphalerites, galena, coal and pigment samples exhibited ϵ(114/110) CdNIST3108 values of 1.0±0.2, 0.2±0.2, 1.3±0.1, -2.3±0.2 and -0.1±0.3, respectively. In general, all studied industrial processes were accompanied by Cd isotope fractionation. Most of the industrial materials studied were clearly distinguishable from the samples used as a primary source based on ϵ(114/110) Cd NIST3108 values. The heaviest ϵ(114/110) CdNIST3108 value of 58.6±0.9 was found for slag resulting from coal combustion, and the lightest ϵ(114/110) CdNIST3108 value of -23±2.5 was observed for waste material after Pb refinement. It is evident that ϵ(114/110) Cd NIST3108 values depend on technological processes, and in case of incomplete Cd transfer from source to final waste material, every industrial activity creates differences in Cd isotope composition. Our results show that Cd isotope analysis is a promising tool to track the origins of industrial waste products.

  8. Impact of Water Chemistry, Pipe Material and Stagnation on the Building Plumbing Microbiome

    PubMed Central

    Ji, Pan; Parks, Jeffrey; Edwards, Marc A.; Pruden, Amy

    2015-01-01

    A unique microbiome establishes in the portion of the potable water distribution system within homes and other buildings (i.e., building plumbing). To examine its composition and the factors that shape it, standardized cold water plumbing rigs were deployed at the treatment plant and in the distribution system of five water utilities across the U.S. Three pipe materials (copper with lead solder, CPVC with brass fittings or copper/lead combined pipe) were compared, with 8 hour flush cycles of 10 minutes to simulate typical daily use patterns. High throughput Illumina sequencing of 16S rRNA gene amplicons was employed to profile and compare the resident bulk water bacteria and archaea. The utility, location of the pipe rig, pipe material and stagnation all had a significant influence on the plumbing microbiome composition, but the utility source water and treatment practices were dominant factors. Examination of 21 water chemistry parameters suggested that the total chlorine concentration, pH, P, SO42- and Mg were associated with the most of the variation in bulk water microbiome composition. Disinfectant type exerted a notably low-magnitude impact on microbiome composition. At two utilities using the same source water, slight differences in treatment approaches were associated with differences in rare taxa in samples. For genera containing opportunistic pathogens, Utility C samples (highest pH of 9–10) had the highest frequency of detection for Legionella spp. and lowest relative abundance of Mycobacterium spp. Data were examined across utilities to identify a true universal core, special core, and peripheral organisms to deepen insight into the physical and chemical factors that shape the building plumbing microbiome. PMID:26495985

  9. Impact of Water Chemistry, Pipe Material and Stagnation on the Building Plumbing Microbiome.

    PubMed

    Ji, Pan; Parks, Jeffrey; Edwards, Marc A; Pruden, Amy

    2015-01-01

    A unique microbiome establishes in the portion of the potable water distribution system within homes and other buildings (i.e., building plumbing). To examine its composition and the factors that shape it, standardized cold water plumbing rigs were deployed at the treatment plant and in the distribution system of five water utilities across the U.S. Three pipe materials (copper with lead solder, CPVC with brass fittings or copper/lead combined pipe) were compared, with 8 hour flush cycles of 10 minutes to simulate typical daily use patterns. High throughput Illumina sequencing of 16S rRNA gene amplicons was employed to profile and compare the resident bulk water bacteria and archaea. The utility, location of the pipe rig, pipe material and stagnation all had a significant influence on the plumbing microbiome composition, but the utility source water and treatment practices were dominant factors. Examination of 21 water chemistry parameters suggested that the total chlorine concentration, pH, P, SO42- and Mg were associated with the most of the variation in bulk water microbiome composition. Disinfectant type exerted a notably low-magnitude impact on microbiome composition. At two utilities using the same source water, slight differences in treatment approaches were associated with differences in rare taxa in samples. For genera containing opportunistic pathogens, Utility C samples (highest pH of 9-10) had the highest frequency of detection for Legionella spp. and lowest relative abundance of Mycobacterium spp. Data were examined across utilities to identify a true universal core, special core, and peripheral organisms to deepen insight into the physical and chemical factors that shape the building plumbing microbiome.

  10. Impact of Water Chemistry, Pipe Material and Stagnation on the Building Plumbing Microbiome.

    PubMed

    Ji, Pan; Parks, Jeffrey; Edwards, Marc A; Pruden, Amy

    2015-01-01

    A unique microbiome establishes in the portion of the potable water distribution system within homes and other buildings (i.e., building plumbing). To examine its composition and the factors that shape it, standardized cold water plumbing rigs were deployed at the treatment plant and in the distribution system of five water utilities across the U.S. Three pipe materials (copper with lead solder, CPVC with brass fittings or copper/lead combined pipe) were compared, with 8 hour flush cycles of 10 minutes to simulate typical daily use patterns. High throughput Illumina sequencing of 16S rRNA gene amplicons was employed to profile and compare the resident bulk water bacteria and archaea. The utility, location of the pipe rig, pipe material and stagnation all had a significant influence on the plumbing microbiome composition, but the utility source water and treatment practices were dominant factors. Examination of 21 water chemistry parameters suggested that the total chlorine concentration, pH, P, SO42- and Mg were associated with the most of the variation in bulk water microbiome composition. Disinfectant type exerted a notably low-magnitude impact on microbiome composition. At two utilities using the same source water, slight differences in treatment approaches were associated with differences in rare taxa in samples. For genera containing opportunistic pathogens, Utility C samples (highest pH of 9-10) had the highest frequency of detection for Legionella spp. and lowest relative abundance of Mycobacterium spp. Data were examined across utilities to identify a true universal core, special core, and peripheral organisms to deepen insight into the physical and chemical factors that shape the building plumbing microbiome. PMID:26495985

  11. Combinatorial chemistry in nematodes: modular assembly of primary metabolism-derived building blocks

    PubMed Central

    2016-01-01

    The nematode Caenorhabditis elegans was the first animal to have its genome fully sequenced and has become an important model organism for biomedical research. However, like many other animal model systems, its metabolome remained largely uncharacterized, until recent investigations demonstrated the importance of small molecule-based signalling cascades for virtually every aspect of nematode biology. These studies have revealed that nematodes are amazingly skilled chemists: using simple building blocks from conserved primary metabolism and a strategy of modular assembly, C. elegans and other nematode species create complex molecular architectures to regulate their development and behaviour. These nematode-derived modular metabolites (NDMMs) are based on the dideoxysugars ascarylose or paratose, which serve as scaffolds for attachment of moieties from lipid, amino acid, carbohydrate, citrate, and nucleoside metabolism. Mutant screens and comparative metabolomics based on NMR spectroscopy and MS have so-far revealed several 100 different ascarylose (“ascarosides”) and a few paratose (“paratosides”) derivatives, many of which represent potent signalling molecules that can be active at femtomolar levels, regulating development, behaviour, body shape, and many other life history traits. NDMM biosynthesis appears to be carefully regulated as assembly of different modules proceeds with very high specificity. Preliminary biosynthetic studies have confirmed the primary metabolism origin of some NDMM building blocks, whereas the mechanisms that underlie their highly specific assembly are not understood. Considering their functions and biosynthetic origin, NDMMs represent a new class of natural products that cannot easily be classified as “primary” or “secondary”. We believe that the identification of new variants of primary metabolism-derived structures that serve important signalling functions in C. elegans and other nematodes provides a strong incentive for

  12. Combinatorial chemistry in nematodes: modular assembly of primary metabolism-derived building blocks.

    PubMed

    von Reuss, Stephan H; Schroeder, Frank C

    2015-07-01

    The nematode Caenorhabditis elegans was the first animal to have its genome fully sequenced and has become an important model organism for biomedical research. However, like many other animal model systems, its metabolome remained largely uncharacterized, until recent investigations demonstrated the importance of small molecule-based signalling cascades for virtually every aspect of nematode biology. These studies have revealed that nematodes are amazingly skilled chemists: using simple building blocks from conserved primary metabolism and a strategy of modular assembly, C. elegans and other nematode species create complex molecular architectures to regulate their development and behaviour. These nematode-derived modular metabolites (NDMMs) are based on the dideoxysugars ascarylose or paratose, which serve as scaffolds for attachment of moieties from lipid, amino acid, carbohydrate, citrate, and nucleoside metabolism. Mutant screens and comparative metabolomics based on NMR spectroscopy and MS have so-far revealed several 100 different ascarylose ("ascarosides") and a few paratose ("paratosides") derivatives, many of which represent potent signalling molecules that can be active at femtomolar levels, regulating development, behaviour, body shape, and many other life history traits. NDMM biosynthesis appears to be carefully regulated as assembly of different modules proceeds with very high specificity. Preliminary biosynthetic studies have confirmed the primary metabolism origin of some NDMM building blocks, whereas the mechanisms that underlie their highly specific assembly are not understood. Considering their functions and biosynthetic origin, NDMMs represent a new class of natural products that cannot easily be classified as "primary" or "secondary". We believe that the identification of new variants of primary metabolism-derived structures that serve important signalling functions in C. elegans and other nematodes provides a strong incentive for a comprehensive

  13. Chemistry and pharmacological action of caffeoylquinic acid derivatives and pharmaceutical utilization of chwinamul (Korean Mountainous vegetable).

    PubMed

    Park, Hee-Juhn

    2010-11-01

    Chwinamul is a mountainous vegetable that refers to several species belonging to the family Compositae. Chwinamul has been used as a side dish or a medicinal herb to treat hypercholesterolemia, diabetes, common cold, atherosclerosis, and cardiovascular disease. Caffeoylquinic acids (CQs) are present in high levels in chwinamul, though caffeoyltartaric acids (CTs) are often occurred in the vegetables of Compositae. Here I review the chemical and pharmaceutical aspects of CQs and CTs. In particular, ¹³C-NMR data and CQ stereochemistry are discussed. CQ derivatives have antioxidative, peroxynitrite-scavenging, hepatoprotective, antiviral, antiobese, and antidiabetic activities.

  14. Synthesis, oxidation chemistry and cytotoxicity studies on ferrocene derivatives of diethylstilbestrol.

    PubMed

    Tan, Yong Leng Kelvin; Pigeon, Pascal; Hillard, Elizabeth A; Top, Siden; Plamont, Marie-Aude; Vessières, Anne; McGlinchey, Michael J; Müller-Bunz, Helge; Jaouen, Gérard

    2009-12-28

    A series of compounds is described in which one of the ethyl groups in diethylstilbestrol has been replaced by a ferrocenyl substituent. Only those derivatives incorporating phenol moieties underwent isomerisation from the Z to the E form, and some of them could be chemically oxidized to a quinone species. The compounds were less cytotoxic against hormone-independent MDA-MB-231 breast cancer cell lines than their corresponding ferrocenyl phenyl or phenol isomers in which the ferrocene and ethyl moieties are linked to the same carbon atom. The biochemical results were evaluated in conjunction with information obtained from electrochemical and chemical oxidation experiments.

  15. Physical properties of materials derived from diamondoid molecules

    NASA Astrophysics Data System (ADS)

    Clay, W. A.; Dahl, J. E. P.; Carlson, R. M. K.; Melosh, N. A.; Shen, Z.-X.

    2015-01-01

    Diamondoids are small hydrocarbon molecules which have the same rigid cage structure as bulk diamond. They can be considered the smallest nanoparticles of diamond. They exhibit a mixture of properties inherited from bulk cubic diamond as well as a number of unique properties related to their size and structure. Diamondoids with different sizes and shapes can be separated and purified, enabling detailed studies of the effects of size and structure on the diamondoids' properties and also allowing the creation of chemically functionalized diamondoids which can be used to create new materials. Most notable among these new materials are self-assembled monolayers of diamondoid-thiols, which exhibit a number of unique electron emission properties.

  16. Impact of human presence on secondary organic aerosols derived from ozone-initiated chemistry in a simulated office environment.

    PubMed

    Fadeyi, Moshood O; Weschler, Charles J; Tham, Kwok W; Wu, Wei Y; Sultan, Zuraimi M

    2013-04-16

    Several studies have documented reductions in indoor ozone levels that occur as a consequence of its reactions with the exposed skin, hair and clothing of human occupants. One would anticipate that consumption of ozone via such reactions would impact co-occurring products derived from ozone's reactions with various indoor pollutants. The present study examines this possibility for secondary organic aerosols (SOA) derived from ozone-initiated chemistry with limonene, a commonly occurring indoor terpene. The experiments were conducted at realistic ozone and limonene concentrations in a 240 m(3) chamber configured to simulate a typical open office environment. During an experiment the chamber was either unoccupied or occupied with 18-20 workers. Ozone and particle levels were continuously monitored using a UV photometric ozone analyzer and a fast mobility particle sizer (FMPS), respectively. Under otherwise identical conditions, when workers were present in the simulated office the ozone concentrations were approximately two-thirds and the SOA mass concentrations were approximately one-half of those measured when the office was unoccupied. This was observed whether new or used filters were present in the air handling system. These results illustrate the importance of accounting for occupancy when estimating human exposure to pollutants in various indoor settings. PMID:23488675

  17. Synthesis and antioxidant property of novel 1,2,3-triazole-linked starch derivatives via 'click chemistry'.

    PubMed

    Tan, Wenqiang; Li, Qing; Li, Wancong; Dong, Fang; Guo, Zhanyong

    2016-01-01

    Based on the copper (I) catalyzed Huisgen azide-alkyne cycloaddition (click chemistry), the novel synthesis of a variety of 1,2,3-triazole-linked starch derivatives was developed, including 6-hydroxymethyltriazole-6-deoxy starch (HMTST), 6-hydroxyethyltriazole-6-deoxy starch (HETST), 6-hydroxypropyltriazole-6-deoxy starch (HPTST), and 6-hydroxybutyltriazole-6-deoxy starch (HBTST). Their antioxidant properties against hydroxyl-radical, DPPH-radical, and superoxide-radical were evaluated in vitro, respectively. The antioxidant activity of the obtained novel amphiprotic starch derivatives via 'click reaction' exhibited remarkable improvement over starch. And the scavenging effect indices of most of the products were higher than 60% at 1.6 mg/mL against hydroxyl-radical and DPPH-radical. Moreover, the scavenging effect of the products against superoxide-radical attained 90% above at 0.1mg/mL. Generally, the antioxidant activity decreased in the order: HBTST>HPTST>HETST>HMTST>starch. Furthermore, the order of their antioxidant activity was consistent with the electron-donating ability of different substituted groups of the 1,2,3-triazoles. The substituted groups with stronger electron supplying capacity provided more electrons to the various radicals, which relatively enhanced the capacity for scavenging free radicals.

  18. Identifying and Dealing with Hazardous Materials and Procedures in the General Chemistry Laboratory.

    ERIC Educational Resources Information Center

    Katz, David A.

    1982-01-01

    A survey of freshman chemistry laboratory manuals identified 15 questionable laboratory procedures, including the use of potentially hazardous chemicals. Alternatives are suggested for each hazard discussed (such as using a substitute solvent for benzene). (SK)

  19. Photochemistry and proton transfer reaction chemistry of selected cinnamic acid derivatives in hydrogen bonded environments

    NASA Astrophysics Data System (ADS)

    Huang, Yong; Russell, David H.

    1998-05-01

    Proton transfer reactions between cinnamic acid derivatives (MH) and ammonia are studied using a time-of-flight mass spectrometer equipped with a supersonic nozzle to entrain neutral species formed by 337 nm laser desorption. The supersonic nozzle is used to form clusters of the type MH(NH3)n where n ranges to numbers greater than 20. Multimeric clusters of MH, e.g. MH2(NH3)n are not detected in this experiment or are of low abundance. Photoexcitation of MH(NH3)n clusters by using 355 nm photons yields ionic species that correspond to direct multiphoton ionization, e.g. MH+[middle dot](NH3)n, and proton transfer reactions, e.g. H+(NH3)n. Analogous product ions are formed by photoexcitation of the methylamine, MH(CH3NH2)n, and ammonia/methanol, MH(NH3)(CH3OH)n, clusters. Detailed analysis of energetics data suggests that proton transfer occurs through neutral excited stare species, and a mechanism analogous to one proposed previously is used to rationalize the data. The energetics of proton transfer via a radical cation form of the cinnarnic acid dimer is also consistent with the data. The relevance of this work to fundamental studies of matrix-assisted laser desorption ionization (MALDI) is discussed. In particular, the role of excited state proton transfer (ESPT) in MALDI is discussed.

  20. Chemistry and structure of coal derived asphaltenes and preasphaltenes. Quarterly progress report, April-June 1980

    SciTech Connect

    Yen, T. F.

    1980-01-01

    It is the objective of this project to isolate the asphaltene and preasphaltene fractions from coal liquids from a number of liquefaction processes. These processes consist of in general: catalytic hydrogenation, staged pyrolysis and solvent refining. These asphaltene fractions may be further separated by both gradient elution through column chromatography, and molecular size distribution through gel permeation chromatography. Those coal-derived asphaltene and preasphaltene fractions will be investigated by various chemical and physical methods for characterization of their structures. After the parameters are obtained, these parameters will be correlated with the refining and conversion variables which control a given type of liquefaction process. The effects of asphaltene in catalysis, ash or metal removal, desulfurization and denitrification will also be correlated. It is anticipated that understanding the role of asphaltenes in liquefaction processes will enable engineers to both improve existing processes, and to make recommendations for operational changes in planned liquefaction units in the United States. The objective of Phase 1 was to complete the isolation and separation of coal liquid fractions and to initiate their characterization. The objective of Phase 2 is to continue the characterization of coal asphaltenes and other coal liquid fractions by use of physical and instrumental methods. The structural parameters obtained will be used to postulate hypothetical average structures for coal liquid fractions. The objective of Phase 3 is to concentrate on the characterization of the preasphaltene (benzene insoluble fraction) of coal liquid fraction by the available physical and chemical methods to obtain a number of structural parameters.

  1. Sawdust Derivative for Environmental Application: Chemistry, Functionalization and Removal of textile dye from aqueous solution.

    PubMed

    Pinto, Thais F; Bezerra, Cícero W B; Silva, Domingos S A; Silva, Edson C DA; Vieira, Adriana P; Airoldi, Claudio; Melo, Júlio C P DE; Silva, Hildo A S; Santana, Sirlane A A

    2016-09-01

    The adsorption of Violet Remazol 5R (VR 5) on wood sawdust modified with succinic anhydride (SSA) as a function of contact time, pH, and initial dye concentrations was investigated using a batch technique under ambient conditions. The SSA obtained was confirmed by IR spectroscopy, thermogravimetry and 13C NMR, and degrees of substitution (DS) were calculated. A study on the effect of the pH on the adsorption of VR 5 showed that the optimum pH was 2.0. The interactions were assayed with respect to the pseudo-first-order and pseudo-second-order kinetic models, and were found to follow closely the pseudo-second-order. The isotherm was adjusted to the Langmuir, the Freundlich and the Temkin sorption models. SSA is a promising material for the removal of dye textile from aqueous solutions, and under conditions studied the removal percentage achieved was 51.7%. PMID:27580360

  2. Humic derivatives as promising hormone-like materials

    NASA Astrophysics Data System (ADS)

    Koroleva, R. P.; Khudaibergenova, E. M.; Kydralieva, K. A.; Jorobekova, Sh. J.

    2009-04-01

    The aim of this research is to prepare novel bio-inoculants derived from coal humic substances (HS) using bio-solubilization technique. This approach can be considered to some extent as model for supply plants with available nutrients throw the mineralisation of organic matter in soils by bacteria and fungi. Screening for the stable and active microorganisms' strains possessing ability to degrade humic substances was performed. The following subjects were examined using different isolation methods: natural microbial population from city soil, wood rot of Ulmis Pamila and biohumus of vermiculture of Eisenia foetida. Approaches for monitoring the humics-solubilizing fungi growth under liquid surface conditions in the presence of HS, proper conditions of bio-solubilization technique were elaborated. Coal humic acids (HA) from oxidized brown coal (Kyrgyz deposits) were isolated and added to a Czapek nutrient broth which was used either in full strength or without nitrogen source. The individual flasks were inoculated with natural microbial populations of corresponding cultivated soil, biohumus and wood rot samples for 12 months. Evaluation of phyto-hormonal activity of the produced HS and their derivatives in respect to higher plants with auxine and gibberellic tests was performed. To characterize structure of the biopreparations obtained, an experimental approach was undertaken that implies application of different complementary techniques for the structural analysis of biopreparations. As those were used: elemental and functional analysis, FTIR and 1H, 13C NMR spectroscopy and size-exclusion chromatography. According to the elemental composition of HS recovered from microbial cultures, a decrease in carbon and a significant increase of nitrogen in HS reisolated from the full strength broth inoculated with wood-decay microorganisms has been found. If biohumus microorganisms were used as inoculum, only minor changes were detected in the elemental composition of HS. A

  3. Bentonite-derived high-temperature structural materials

    NASA Astrophysics Data System (ADS)

    Delixiati, Ailipati

    This thesis provides new information that is relevant to the science and applications of hot-pressed bentonite and hot-pressed organobentonite, which are emerging high-temperature structural materials. The hot pressing involves no binder. The hardness, coefficient of friction, wear resistance and scratch resistance are greater for hot-pressed bentonite than hot-pressed organobentonite. This means that the resistance to strain-induced damage is superior for hot-pressed bentonite. Hot-pressed organobentonite exhibits a degree of lubricity. The modulus is higher for hot-pressed organobentonite than hot-pressed bentonite. The energy dissipation, deformability and degree of reversibility of the deformation are similar for hot-pressed bentonite and hot-pressed organobentonite. The values of the modulus and hardness of hot-pressed bentonite and hot-pressed organobentonite are lower than those of alumina, but are higher than those of polycrystalline graphite. The energy dissipation and deformability of hot-pressed bentonite or hot-pressed organobentonite are higher than those of alumina, but are lower than those of polycrystalline graphite. The values of the coefficient of friction of hot-pressed bentonite and hot-pressed organobentonite are higher than those of Inconel and stainless steel, and are much higher than that of polycrystalline graphite. The wear resistance of hot-pressed bentonite is similar to that of Inconel and stainless steel. The wear resistance of hot-pressed organobentonite is inferior to these, but is superior to that of polycrystalline graphite. The temperature rise upon friction/wear for hot-pressed bentonite and hot-pressed organobentonite is lower than that of Inconel, but is similar to those of stainless steel and is higher than that of polycrystalline graphite. The through-thickness relative dielectric constant is essentially equal (9) for hot-pressed bentonite and hot-pressed organobentonite. Both through-thickness and in-plane resistivities are

  4. Enhancing Women's Undergraduate Experience in Physics and Chemistry Through a PUI/MRSEC Collaboration Emphasizing Materials Research

    NASA Astrophysics Data System (ADS)

    Goldberg, Velda; Malliaras, George; Schember, Helene; Singhota, Nevjinder

    2002-04-01

    This three-year collaboration between a predominately undergraduate women's college (Simmons College) and a NSF-supported Materials Research Science and Engineering Center (the Cornell Center for Materials Research (CCMR)) provides opportunities for physics and chemistry students to participate in materials-related research throughout their undergraduate careers, have access to sophisticated instrumentation, and gain related work experience in industrial settings. As part of the project, undergraduate students are involved in all aspects of a collaborative Simmons/Cornell research program concentrating on degradation processes in electroluminescent materials. This work is particularly interesting because an understanding and control of these processes will ultimately influence the use of these materials in various types of consumer products.

  5. Recent developments regarding the use of thieno[2,3-d]pyrimidin-4-one derivatives in medicinal chemistry, with a focus on their synthesis and anticancer properties.

    PubMed

    Bozorov, Khurshed; Zhao, Jiang-Yu; Elmuradov, Burkhon; Pataer, Apar; Aisa, Haji A

    2015-09-18

    It is generally understood that the antitumor properties of synthetic heterocyclic compounds are among the most powerful properties that can be made use in medicinal chemistry. More specifically, their substantial cytotoxic effects against different types of human tumor cells, in addition to their roles as enzymes or receptors for various kinase inhibitors, make them critically important. In recent years, thieno[2,3-d]pyrimidin-4-one derivatives (TPs), which are analogs of quinazoline alkaloids, have frequently attracted the interest of medicinal chemistry researchers due to their promising anticancer properties. The present study is a review of the latest advances (i.e., since 2006) in TP derivative-related research, with a focus on how such derivatives are synthesized and on their anticancer activities.

  6. Designing green derivatives of β-blocker Metoprolol: a tiered approach for green and sustainable pharmacy and chemistry.

    PubMed

    Rastogi, Tushar; Leder, Christoph; Kümmerer, Klaus

    2014-09-01

    The presences of micro-pollutants (active pharmaceutical ingredients, APIs) are increasingly seen as a challenge of the sustainable management of water resources worldwide due to ineffective effluent treatment and other measures for their input prevention. Therefore, novel approaches are needed like designing greener pharmaceuticals, i.e. better biodegradability in the environment. This study addresses a tiered approach of implementing green and sustainable chemistry principles for theoretically designing better biodegradable and pharmacologically improved pharmaceuticals. Photodegradation process coupled with LC-MS(n) analysis and in silico tools such as quantitative structure-activity relationships (QSAR) analysis and molecular docking proved to be a very significant approach for the preliminary stages of designing chemical structures that would fit into the "benign by design" concept in the direction of green and sustainable pharmacy. Metoprolol (MTL) was used as an example, which itself is not readily biodegradable under conditions found in sewage treatment and the aquatic environment. The study provides the theoretical design of new derivatives of MTL which might have the same or improved pharmacological activity and are more degradable in the environment than MTL. However, the in silico toxicity prediction by QSAR of those photo-TPs indicated few of them might be possibly mutagenic and require further testing. This novel approach of theoretically designing 'green' pharmaceuticals can be considered as a step forward towards the green and sustainable pharmacy field. However, more knowledge and further experience have to be collected on the full scope, opportunities and limitations of this approach. PMID:24997957

  7. Designing green derivatives of β-blocker Metoprolol: a tiered approach for green and sustainable pharmacy and chemistry.

    PubMed

    Rastogi, Tushar; Leder, Christoph; Kümmerer, Klaus

    2014-09-01

    The presences of micro-pollutants (active pharmaceutical ingredients, APIs) are increasingly seen as a challenge of the sustainable management of water resources worldwide due to ineffective effluent treatment and other measures for their input prevention. Therefore, novel approaches are needed like designing greener pharmaceuticals, i.e. better biodegradability in the environment. This study addresses a tiered approach of implementing green and sustainable chemistry principles for theoretically designing better biodegradable and pharmacologically improved pharmaceuticals. Photodegradation process coupled with LC-MS(n) analysis and in silico tools such as quantitative structure-activity relationships (QSAR) analysis and molecular docking proved to be a very significant approach for the preliminary stages of designing chemical structures that would fit into the "benign by design" concept in the direction of green and sustainable pharmacy. Metoprolol (MTL) was used as an example, which itself is not readily biodegradable under conditions found in sewage treatment and the aquatic environment. The study provides the theoretical design of new derivatives of MTL which might have the same or improved pharmacological activity and are more degradable in the environment than MTL. However, the in silico toxicity prediction by QSAR of those photo-TPs indicated few of them might be possibly mutagenic and require further testing. This novel approach of theoretically designing 'green' pharmaceuticals can be considered as a step forward towards the green and sustainable pharmacy field. However, more knowledge and further experience have to be collected on the full scope, opportunities and limitations of this approach.

  8. Polymer Chemistry

    NASA Technical Reports Server (NTRS)

    Williams, Martha; Roberson, Luke; Caraccio, Anne

    2010-01-01

    This viewgraph presentation describes new technologies in polymer and material chemistry that benefits NASA programs and missions. The topics include: 1) What are Polymers?; 2) History of Polymer Chemistry; 3) Composites/Materials Development at KSC; 4) Why Wiring; 5) Next Generation Wiring Materials; 6) Wire System Materials and Integration; 7) Self-Healing Wire Repair; 8) Smart Wiring Summary; 9) Fire and Polymers; 10) Aerogel Technology; 11) Aerogel Composites; 12) Aerogels for Oil Remediation; 13) KSC's Solution; 14) Chemochromic Hydrogen Sensors; 15) STS-130 and 131 Operations; 16) HyperPigment; 17) Antimicrobial Materials; 18) Conductive Inks Formulations for Multiple Applications; and 19) Testing and Processing Equipment.

  9. The separate and collective effects of personalization, personification, and gender on learning with multimedia chemistry instructional materials

    NASA Astrophysics Data System (ADS)

    Halkyard, Shannon

    Chemistry is a difficult subject to learn and teach for students in general. Additionally, female students are under-represented in chemistry and the physical sciences. Within chemistry, atomic and electronic structure is a key concept and several recommendations in the literature describe how this topic can be taught better. These recommendations can be employed in multimedia instructional materials designed following principles understood through the Cognitive Theory of Multimedia Learning. Additionally, these materials can expand the known use of principles like personalization (addressing the learner as "you") and test prospective design principles like personification (referring to abstract objects like atoms as "she" or "he"). The purpose of this study was to use the recommendations on teaching atomic and electronic structure along with known multimedia design principles to create multimedia chemistry learning materials that can be used to test the use of personalization and personification both separately and together. The study also investigated how learning with these materials might be different for male and female students. A sample of 329 students from private northern California high schools were given an atomic structure pre-test, watched a multimedia chemistry instructional video, and took a post-test on atomic structure. Students were randomly assigned to watch one of six versions of the instructional video. Students in the six groups were compared using ANOVA procedures and no significant differences were found. Males were compared to females for the six different treatment conditions and the most significant difference was for the treatment that combined personalization (you) and female personification (she), with a medium effect size (Cohen's d=0.65). Males and females were then compared separately across the six groups using ANOVA procedures and t-tests. A significant difference was found for female students using the treatment that combined

  10. Patients’ Attitudes toward the Donation of Biological Materials for the Derivation of Induced Pluripotent Stem Cells

    PubMed Central

    Dasgupta, Ishan; Bollinger, Juli; Mathews, Debra J.H.; Neumann, Neil M.; Rattani, Abbas; Sugarman, Jeremy

    2016-01-01

    Although academics have raised ethical issues with iPSCs, patients’ perspectives on them and their attitudes toward donating biological materials for iPSC research are unclear. Here, we provide such information to aid in developing policies for consent, collection, and use of biological materials for deriving iPSCs based on patient focus groups. PMID:24388172

  11. Analysis of Student Focussing Behaviour Using Postquestions and Chemistry Learning Materials.

    ERIC Educational Resources Information Center

    Chastko, Audrey Marie

    This study investigated the extent of forward shaping due to post-questions on (1) focussing Canadian chemistry students' (N=109) attention on different and similar categories of information (for example, kinds of chemical reactions) described in a science text and (2) requiring students to process science information at high/low knowledge and…

  12. Tracking of Drug Release and Material Fate for Naturally Derived Omega-3 Fatty Acid Biomaterials.

    PubMed

    Faucher, Keith M; Artzi, Natalie; Beck, Moshe; Beckerman, Rita; Moodie, Geoff; Albergo, Theresa; Conroy, Suzanne; Dale, Alicia; Corbeil, Scott; Martakos, Paul; Edelman, Elazer R

    2016-03-01

    In vitro and in vivo studies were conducted on omega-3 fatty acid-derived biomaterials to determine their utility as an implantable material for adhesion prevention following soft tissue hernia repair and as a means to allow for the local delivery of antimicrobial or antibiofilm agents. Naturally derived biomaterials offer several advantages over synthetic materials in the field of medical device development. These advantages include enhanced biocompatibility, elimination of risks posed by the presence of toxic catalysts and chemical crosslinking agents, and derivation from renewable resources. Omega-3 fatty acids are readily available from fish and plant sources and can be used to create implantable biomaterials either as a stand-alone device or as a device coating that can be utilized in local drug delivery applications. In-depth characterization of material erosion degradation over time using non-destructive imaging and chemical characterization techniques provided mechanistic insight into material structure: function relationship. This in turn guided rational tailoring of the material based on varying fatty acid composition to control material residence time and hence drug release. These studies demonstrate the utility of omega-3 fatty acid derived biomaterials as an absorbable material for soft tissue hernia repair and drug delivery applications.

  13. Design and Evaluation of Digital Learning Material to Support Acquisition of Quantitative Problem-Solving Skills Within Food Chemistry

    NASA Astrophysics Data System (ADS)

    Diederen, Julia; Gruppen, Harry; Hartog, Rob; Voragen, Alphons G. J.

    2005-12-01

    One of the modules in the course Food Chemistry at Wageningen University (Wageningen, The Netherlands) focuses on quantitative problem-solving skills related to chemical reactions. The intended learning outcomes of this module are firstly, to be able to translate practical food chemistry related problems into mathematical equations and to solve them and secondly, to have a quantitative understanding of chemical reactions in food. Until 3 years ago the learning situation for this module was inefficient for both teachers and students. For this learning situation a staff/student ratio of 1/25 was experienced to be insufficient: the level of student frustration was high and many students could not finish the tasks within the scheduled time. To make this situation more efficient for both students and teachers and to lower the level of frustration, digital learning material was designed. The main characteristic of this learning material is that it provides just-in-time information, such as feedback, hints and links to background information. The material was evaluated in three case studies in a normal educational setting ( n = 22, n = 31, n = 33). The results show that now frustration of students is low, the time in classes is efficiently used, and the staff/student ratio of 1/25 is indeed sufficient. A staff student ratio of around 1/40 is now regarded as realistic.

  14. Textural properties and surface chemistry of lotus stalk-derived activated carbons prepared using different phosphorus oxyacids: adsorption of trimethoprim.

    PubMed

    Liu, Hai; Zhang, Jian; Bao, Nan; Cheng, Cheng; Ren, Liang; Zhang, Chenglu

    2012-10-15

    The preparation of activated carbons (AC-H(x)P(y)O(z)) by four kinds of oxyacids of phosphorus (H(3)PO(4), H(4)P(2)O(7), HPO(3) and H(3)PO(3)) activation of lotus stalk (LS) was studied, with a particular focus on the effect of these H(x)P(y)O(z) on both surface chemistry and porous texture. The XRD analysis of the samples after H(x)P(y)O(z) impregnation showed H(4)P(2)O(7) had the strongest influence on the crystallinity of LS. Thermo gravimetric studies of the pyrolysis of LS-H(x)P(y)O(z) indicated that these H(x)P(y)O(z) had a very different influence on the thermal degradation of LS. The prepared activated carbons were characterized by SEM, N(2) sorption/desorption isotherms, XRD, FTIR and Boehm's titration. Batched sorption studies were performed to compare adsorptive properties of the carbons toward trimethoprim (TMP). The surface area and pore volume of AC-H(3)PO(4) and AC-H(4)P(2)O(7) were much higher than AC-HPO(3) and AC-H(3)PO(3). Boehm's titration results indicated that AC-H(4)P(2)O(7) and AC-H(3)PO(3) possessed more acidic oxygen functionalities than AC-H(3)PO(4) and AC-HPO(3). The structure of the AC-HPO(3) was kept as its starting material after activation. Activation with H(3)PO(3) would result in the aromatization of the carbon. The sorption affinities of TMP follows an order of AC-H(4)P(2)O(7)>AC-H(3)PO(4)>AC-H(3)PO(3)>AC-HPO(3).

  15. Optical Fiber Chemical Sensor with Sol-Gel Derived Refractive Material as Transducer for High Temperature Gas Sensing in Clean Coal Technology

    SciTech Connect

    Shiquan Tao

    2006-12-31

    The chemistry of sol-gel derived silica and refractive metal oxide has been systematically studied. Sol-gel processes have been developed for preparing porous silica and semiconductor metal oxide materials. Micelle/reversed micelle techniques have been developed for preparing nanometer sized semiconductor metal oxides and noble metal particles. Techniques for doping metal ions, metal oxides and nanosized metal particles into porous sol-gel material have also been developed. Optical properties of sol-gel derived materials in ambient and high temperature gases have been studied by using fiber optic spectroscopic techniques, such as fiber optic ultraviolet/visible absorption spectrometry, fiber optic near infrared absorption spectrometry and fiber optic fluorescence spectrometry. Fiber optic spectrometric techniques have been developed for investigating the optical properties of these sol-gel derived materials prepared as porous optical fibers or as coatings on the surface of silica optical fibers. Optical and electron microscopic techniques have been used to observe the microstructure, such as pore size, pore shape, sensing agent distribution, of sol-gel derived material, as well as the size and morphology of nanometer metal particle doped in sol-gel derived porous silica, the nature of coating of sol-gel derived materials on silica optical fiber surface. In addition, the chemical reactions of metal ion, nanostructured semiconductor metal oxides and nanometer sized metal particles with gas components at room temperature and high temperatures have also been investigated with fiber optic spectrometric methods. Three classes of fiber optic sensors have been developed based on the thorough investigation of sol-gel chemistry and sol-gel derived materials. The first group of fiber optic sensors uses porous silica optical fibers doped with metal ions or metal oxide as transducers for sensing trace NH{sub 3} and H{sub 2}S in high temperature gas samples. The second group of

  16. Removal of cadmium ions from wastewater using innovative electronic waste-derived material.

    PubMed

    Xu, Meng; Hadi, Pejman; Chen, Guohua; McKay, Gordon

    2014-05-30

    Cadmium is a highly toxic heavy metal even at a trace level. In this study, a novel material derived from waste PCBs has been applied as an adsorbent to remove cadmium ions from aqueous solutions. The effects of various factors including contact time, initial cadmium ion concentration, pH and adsorbent dosage have been evaluated. The maximum uptake capacity of the newly derived material for cadmium ions has reached 2.1mmol/g at an initial pH 4. This value shows that this material can effectively remove cadmium ions from effluent. The equilibrium isotherm has been analyzed using several isotherm equations and is best described by the Redlich-Peterson model. Furthermore, different commercial adsorbent resins have been studied for comparison purposes. The results further confirm that this activated material is highly competitive with its commercial counterparts.

  17. Development of water-developable resist material derived from biomass in EB lithography

    NASA Astrophysics Data System (ADS)

    Takei, Satoshi; Oshima, Akihiro; Wakabayashi, Takanori; Sekiguchi, Atsushi; Kozawa, Takahiro; Tagawa, Seiichi

    2012-06-01

    A water developable, non-chemically amplified, high sensitive, and negative tone resist material in the developable process of EB lithography was investigated for environmental affair, safety, easiness of handling, and health of the working people, instead of the common developable process of trimethylphenylammonium hydroxide or resist solvents. The material design concept to use the plantbased resist material derived from biomass was proposed. A novel high-sensitive negative tone of plantbased resist material with the sugar chain structure derived from biomass on underlayer was demonstrated in EB lithography for the future production of optical and electronic devices. The 400 nm line patterning images with exposure dose of 7.0 μC/cm2 were provided by specific process conditions of EB lithography for optical and electronic devices.

  18. Experimental studies of lithium-based surface chemistry for fusion plasma-facing materials applications

    NASA Astrophysics Data System (ADS)

    Allain, J. P.; Rokusek, D. L.; Harilal, S. S.; Nieto-Perez, M.; Skinner, C. H.; Kugel, H. W.; Heim, B.; Kaita, R.; Majeski, R.

    2009-06-01

    Lithium has enhanced the operational performance of fusion devices such as: TFTR, CDX-U, FTU, T-11 M, and NSTX. Lithium in the solid and liquid state has been studied extensively in laboratory experiments including its erosion and hydrogen-retaining properties. Reductions in physical sputtering up to 40-60% have been measured for deuterated solid and liquid lithium surfaces. Computational modeling indicates that up to a 1:1 deuterium volumetric retention in lithium is possible. This paper presents the results of systematic in situ laboratory experimental studies on the surface chemistry evolution of ATJ graphite under lithium deposition. Results are compared to post-mortem analysis of similar lithium surface coatings on graphite exposed to deuterium discharge plasmas in NSTX. Lithium coatings on plasma-facing components in NSTX have shown substantial reduction of hydrogenic recycling. Questions remain on the role lithium surface chemistry on a graphite substrate has on particle sputtering (physical and chemical) as well as hydrogen isotope recycling. This is particularly due to the lack of in situ measurements of plasma-surface interactions in tokamaks such as NSTX. Results suggest that the lithium bonding state on ATJ graphite is lithium peroxide and with sufficient exposure to ambient air conditions, lithium carbonate is generated. Correlation between both results is used to assess the role of lithium chemistry on the state of lithium bonding and implications on hydrogen pumping and lithium sputtering. In addition, reduction of factors between 10 and 30 reduction in physical sputtering from lithiated graphite compared to pure lithium or carbon is also measured.

  19. Odds and Trends: Recent Developments in the Chemistry of Odorants Note on trademarks: Words which we know or have reason to believe constitute registered trademarks (R) are designated as such. However, neither the presence nor absence of such designation should be regarded as affecting the legal status of any trademark. Note on perfume analysis: The quoted percentages of perfume raw materials in market products are rounded figures. They are often derived from area percentages from the GC (FID) analysis, and are thus subject to analytical error.

    PubMed

    Kraft; Bajgrowicz; Denis; Fráter

    2000-09-01

    Fragrance chemistry is, together with the closely related area of flavor chemistry, one of the few domains, if not the only one, in which chemists can immediately experience structure-activity relationships. This review presents structure-odor correlations and olfactophore models for the main odor notes of perfumery: "fruity", "marine", "green", "floral", "spicy", "woody", "amber", and "musky". New trendsetters and so-called captive odorants of these notes are introduced, and recent activities and highlights in fragrance chemistry are summarized. The design of odorants, their chemical synthesis, and their use in modern perfumery is discussed. Our selection is guided and illustrated by creative fragrances, and features new odorants which encompassed current trends in perfumery. New odorants for grapefruit and blackcurrant, for galbanum, and leafy top notes are presented. Compounds with fashionable marine, ozonic, and aquatic facets are treated, as well as new odorants for classical lily-of-the-valley, rose, and jasmine accords. Compounds with sweet and spicy tonalities are also discussed, as are the most recent developments for woody notes such as sandalwood and vetiver. We conclude with musky and ambery odorants possessing uncommon or unusual structural features. Some odor trends and effects are illustrated by microencapsulated fragrance samples, and areas where there is need for the development of new synthetic materials and methodologies are pointed out. Thus, chemists are invited to explore fragrance chemistry and participate in the design and synthesis of new odorants. This review gives the latest state of the art of the subject.

  20. Poly(3,4-ethylenedioxyselenophene) and its derivatives: novel organic electronic materials.

    PubMed

    Patra, Asit; Bendikov, Michael; Chand, Suresh

    2014-05-20

    Since the discovery of high conductivity in iodine-doped polyacetylene, many interesting conducting polymers have been developed. Of these, polythiophenes have been most studied as electronic materials, with poly(3,4-ethylenedioxythiophene) (PEDOT) and the water-soluble PEDOT-PSS being the most successful commercially used conducting polymers. The polyselenophene family together with poly(3,4-ethylenedioxyselenophene) (PEDOS) and its derivatives have been shown to have slightly different properties compared to these of polythiophene and PEDOT because of their different electron donating characters, aromaticities (selenophene vs thiophene), oxidation potentials, electronegativities, and polarizabilities (Se vs S). As a result, the polyselenophenes, especially PEDOS and its derivatives, show a lower band gap and higher-lying highest occupied molecular orbital (HOMO) levels compared with those of thiophene and the PEDOT family. In an organic materials context, the PEDOS family offers some advantages over PEDOT derivatives. This Account draws on computational studies, synthetic methods, electrochemical polymerizations, chemical polymerizations, and the materials properties of PEDOS and its derivatives to demonstrate the importance of these novel materials, which lie at the frontier of conducting polymer research. In particular, we show that (i) PEDOS derivatives have a lower band gap (about 0.2 eV) than the corresponding PEDOT derivatives. Consequently, PEDOS derivatives can absorb the solar spectrum more efficiently compared to PEDOT derivatives and the properties of optoelectronic devices based on neutral and doped PEDOS should be somewhat different from these of PEDOT. (ii) EDOS derivatives have a greater tendency to undergo electrochemical polymerization compared to EDOT derivatives and offer stable and smooth polymer films. (iii) The PEDOS backbone is more rigid than the PEDOT backbone. (iv) PEDOS derivatives are excellent electrochromic materials with high

  1. Peptide interfaces with graphene: an emerging intersection of analytical chemistry, theory, and materials.

    PubMed

    Russell, Shane R; Claridge, Shelley A

    2016-04-01

    Because noncovalent interface functionalization is frequently required in graphene-based devices, biomolecular self-assembly has begun to emerge as a route for controlling substrate electronic structure or binding specificity for soluble analytes. The remarkable diversity of structures that arise in biological self-assembly hints at the possibility of equally diverse and well-controlled surface chemistry at graphene interfaces. However, predicting and analyzing adsorbed monolayer structures at such interfaces raises substantial experimental and theoretical challenges. In contrast with the relatively well-developed monolayer chemistry and characterization methods applied at coinage metal surfaces, monolayers on graphene are both less robust and more structurally complex, levying more stringent requirements on characterization techniques. Theory presents opportunities to understand early binding events that lay the groundwork for full monolayer structure. However, predicting interactions between complex biomolecules, solvent, and substrate is necessitating a suite of new force fields and algorithms to assess likely binding configurations, solvent effects, and modulations to substrate electronic properties. This article briefly discusses emerging analytical and theoretical methods used to develop a rigorous chemical understanding of the self-assembly of peptide-graphene interfaces and prospects for future advances in the field.

  2. Hexaazatrinaphthylene Derivatives: Efficient Electron-Transporting Materials with Tunable Energy Levels for Inverted Perovskite Solar Cells.

    PubMed

    Zhao, Dongbing; Zhu, Zonglong; Kuo, Ming-Yu; Chueh, Chu-Chen; Jen, Alex K-Y

    2016-07-25

    Hexaazatrinaphthylene (HATNA) derivatives have been successfully shown to function as efficient electron-transporting materials (ETMs) for perovskite solar cells (PVSCs). The cells demonstrate a superior power conversion efficiency (PCE) of 17.6 % with negligible hysteresis. This study provides one of the first nonfullerene small-molecule-based ETMs for high-performance p-i-n PVSCs.

  3. Radiolytic Damage to Genetic Material.

    ERIC Educational Resources Information Center

    Ward, John F.

    1981-01-01

    Describes some basic findings in the radiation chemistry of genetic material derived from studies of model systems. Uses these findings to extrapolate the consequences of radiation damage to DNA within cells. (CS)

  4. Towards new green high energy materials. Computational chemistry on nitro-substituted urea.

    PubMed

    Wagner, Rachelle R; Ball, David W

    2011-11-01

    As part of a series of studies on new potential green high energy materials, we have calculated the structures and properties of a series of nitro-substituted urea molecules. Our results indicate that nitrated urea molecules have specific enthalpies of decomposition commensurate with current high energy materials. At the same time, they are all low in carbon, suggesting an application as a "green" high energy material.

  5. Chitin, Chitosan, and Its Derivatives for Wound Healing: Old and New Materials

    PubMed Central

    Azuma, Kazuo; Izumi, Ryotaro; Osaki, Tomohiro; Ifuku, Shinsuke; Morimoto, Minoru; Saimoto, Hiroyuki; Minami, Saburo; Okamoto, Yoshiharu

    2015-01-01

    Chitin (β-(1-4)-poly-N-acetyl-d-glucosamine) is widely distributed in nature and is the second most abundant polysaccharide after cellulose. It is often converted to its more deacetylated derivative, chitosan. Previously, many reports have indicated the accelerating effects of chitin, chitosan, and its derivatives on wound healing. More recently, chemically modified or nano-fibrous chitin and chitosan have been developed, and their effects on wound healing have been evaluated. In this review, the studies on the wound-healing effects of chitin, chitosan, and its derivatives are summarized. Moreover, the development of adhesive-based chitin and chitosan are also described. The evidence indicates that chitin, chitosan, and its derivatives are beneficial for the wound healing process. More recently, it is also indicate that some nano-based materials from chitin and chitosan are beneficial than chitin and chitosan for wound healing. Clinical applications of nano-based chitin and chitosan are also expected. PMID:25780874

  6. Derivation of uranium residual radioactive material guidelines for the Ventron site

    SciTech Connect

    Loureiro, C.; Yu, C.; Jones, L.

    1992-03-01

    Residual radioactive material guidelines for uranium were derived for the Ventron site in Beverly, Massachusetts. This site has been identified for remedial action under the Formerly Utilized Sites Remedial Action Program of the US Department of Energy (DOE). The derivations for the single radionuclides and the total uranium guidelines were based on the requirement that the 50-year committed effective dose equivalent to a hypothetical individual who lives or works in the immediate vicinity of the Ventron site should not exceed a dose of 100 mrem/yr following remedial action. The DOE residual radioactive material guideline computer code, RESRAD, which implements the methodology described in the DOE manual for implementing residual radioactive material guidelines, was used in this evaluation.

  7. Derivation of uranium residual radioactive material guidelines for the former Alba Craft Laboratory site, Oxford, Ohio

    SciTech Connect

    Nimmagadda, M.; Faillace, E.; Yu, C.

    1994-01-01

    Residual radioactive material guidelines for uranium were derived for the former Alba Craft Laboratory site in Oxford, Ohio. This site has been identified for remedial action under the Formerly Utilized Sites Remedial Action Program (FUSRAP) of the US Department of Energy (DOE). Single nuclide and total uranium guidelines were derived on the basis of the requirement that the 50-year committed effective dose equivalent to a hypothetical individual who lives or works in the immediate vicinity of the former Alba Craft Laboratory site should not exceed a dose of 30 mrem/yr following remedial action for the current use and likely future use scenarios or a dose of 100 mrem/yr for less likely future use scenarios (Yu et al. 1993). The DOE residual radioactive material guideline computer code, RESRAD, which implements the methodology described in the DOE manual for implementing residual radioactive material guidelines, was used in this evaluation.

  8. Derivation of uranium residual radioactive material guidelines for the 4400 Piehl Road Site, Ottawa Lake, Michigan

    SciTech Connect

    Faillace, E.; Nimmagadda, M.; Yu, C.

    1994-12-01

    Residual radioactive material guidelines for uranium were derived for the 4400 Piehl Road site in Ottawa Lake, Michigan. This site has been designated for remedial action under the Formerly Utilized Sites Remedial Action Program (FUSRAP) of the US Department of Energy (DOE). Single nuclide and total uranium guidelines were derived on the basis of the requirement that the 50-year committed effective dose equivalent to a hypothetical individual who lives or works in the immediate vicinity of the 4400 Piehl Road site should not exceed 30 mrem/yr following remedial action for the current use and plausible future use scenarios. The DOE residual radioactive material guideline computer code, RESRAD, which applies the methodology described in the DOE manual for implementing residual radioactive material guidelines, was used in this evaluation.

  9. Derivation of primary magmas and melting of crustal materials on Venus - Some preliminary petrogenetic considerations

    NASA Technical Reports Server (NTRS)

    Hess, Paul C.; Head, James W.

    1990-01-01

    As an aid to understanding crustal formation and evolution processes on Venus, a general paradigm is developed for the derivation of primary magmas, and the range of possibilities of conditions for remelting of crustal materials and the evolution of the products of remelting. The present knowledge of the bulk and surface composition is used as a basis. A wide range of magma types is possible for the range of conditions of derivation of primary magmas and crustal remelting and no magma type can be arbitrarily excluded from consideration on Venus. The composition of Venus and the nature of source materials for melting, the melting of mantle material peridotites, and the melting of basalts including tholeiites and modified basalts are discussed. Magmatic differentiation is considered, and a comparison to terrestrial magmatic environments is conducted. It is concluded the magnetic and volcanic activity on Venus could be very similar to that on the earth, although eruption styles are expected to vary due to environmental conditions.

  10. Chemistry of primitive solar material. [nebular hypothesis of planetary systems formation

    NASA Technical Reports Server (NTRS)

    Barshay, S. S.; Lewis, J. S.

    1976-01-01

    The paper reviews chemical processes that occurred in the cooler outer regions of the primitive solar nebula (PSN) at the time of intimate chemical contact between the preplanetary condensate and the nebular gas. The elemental composition of the PSN is discussed, the 15 most abundant elements in it are listed, and numerical models of it are examined. Various condensation models are described and tested against observed properties of the planets, their satellites, and the asteroids. The chemistry of abundant volatile elements in the PSN is investigated along with stability limits of graphite in a solar-composition gas, regions of dominance of the most abundant carbon-containing gas species in the same gas, and implications of the moon's composition for its origin. Some theories that have been proposed as alternatives to the condensation models are noted.

  11. THE EFFECTS OF SURFACE CHEMISTRY ON THE PROPERTIES OF PROTEINS CONFINED IN NANO-POROUS MATERIALS

    SciTech Connect

    Garrett, L. M.; O'Neill, H.

    2007-01-01

    The entrapment of proteins using the sol-gel route provides a means to retain its native properties and artifi cially reproduce the molecular crowding and confi nement experienced by proteins in the cell allowing investigation of the physico-chemical and structural properties of biomolecules at the biotic/abiotic interface. The biomolecules are spatially separated and ‘caged’ in the gel structure but solutes can freely permeate the matrix. Thus, properties such as the folding of ensembles of individual molecules can be examined in the absence of aggregation effects that can occur in solution studies. Green fl uorescent protein from Aequorea coerulescens was used as a model protein to examine the unfolding/re-folding properties of protein in silica gels. The recombinant protein was isolated and purifi ed from Escherichia coli extracts by cell lysis, three-phase partitioning, dialysis, and anion exchange chromatography. The purity of the protein was greater than 90% as judged by SDS PAGE gel analysis. Sol-gels were synthesized using tetramethylorthosilicate (TMOS) in combination with, methyltrimethoxyorthosilane (MTMOS), ethyltrimethoxyorthosilane (ETMOS), 3-aminopropyltriethoxysilane (APTES), and 3-glycidoxypropyltrimethoxysilane (GPTMS). The acid induced denaturation and renaturation of GFP was analyzed by UV-visible, fl uorescence, and circular dichroism (CD) spectroscopies. No renaturation was observed in gels that were made with TMOS only, and in the presence of APTES, MTMOS, and ETMOS. However, in gels that were made with GPTMS, the CD and UV-visible spectra indicated that the protein had refolded. The fl uorescence emission spectrum indicated that approximately 20% of fl uorescence had returned. This study highlights the importance of the surface chemistry of the silica gels for the refolding properties of the entrapped GFP. Future studies will investigate the effect of surface chemistry on the thermal and solvent stability of the entrapped protein.

  12. The Effects of Surface Chemistry on the Properties of Proteins Confined in Nano-porous Materials

    SciTech Connect

    Garrett, Latasha M; O'Neill, Hugh Michael

    2007-01-01

    The entrapment of proteins using the sol-gel route provides a means to retain its native properties and artificially reproduce the molecular crowding and confinement experienced by proteins in the cell allowing investigation of the physico-chemical and structural properties of biomolecules at the biotic/abiotic interface. The biomolecules are spatially separated and 'caged' in the gel structure but solutes can freely permeate the matrix. Thus, properties such as the folding of ensembles of individual molecules can be examined in the absence of aggregation effects that can occur in solution studies. Green fluorescent protein from Aequorea coerulescens was used as a model protein to examine the unfolding/re-folding properties of protein in silica gels. The recombinant protein was isolated and purified from Escherichia coli extracts by cell lysis, three-phase partitioning, dialysis, and anion exchange chromatography. The purity of the protein was greater than 90% as judged by SDS PAGE gel analysis. Sol-gels were synthesized using tetramethylorthosilicate (TMOS) in combination with, methyltrimethoxyorthosilane (MTMOS), ethyltrimethoxyorthosilane (ETMOS), 3-aminopropyltriethoxysilane (APTES), and 3-glycidoxypropyltrimethoxysilane (GPTMS). The acid induced denaturation and renaturation of GFP was analyzed by UV-visible, fluorescence, and circular dichroism (CD) spectroscopies. No renaturation was observed in gels that were made with TMOS only, and in the presence of APTES, MTMOS, and ETMOS. However, in gels that were made with GPTMS, the CD and UV-visible spectra indicated that the protein had refolded. The fluorescence emission spectrum indicated that approximately 20% of fluorescence had returned. This study highlights the importance of the surface chemistry of the silica gels for the refolding properties of the entrapped GFP. Future studies will investigate the effect of surface chemistry on the thermal and solvent stability of the entrapped protein.

  13. Reactive adsorption of NO2 at dry conditions on sewage sludge-derived materials.

    PubMed

    Pietrzak, Robert; Bandosz, Teresa J

    2007-11-01

    Composite inorganic-carbonaceous adsorbents were obtained by pyrolysis of sewage sludge at 500, 650, and 950 degrees C for various periods of time. They were used as media for reactive adsorption of NO2. The surface structure and chemistry of the initial and exhausted materials were analyzed using adsorption of nitrogen, XRD, FTIR, and thermal analysis. The results indicate the high level of conversion of NO2 to NO with the retention of both species on the surface depending on its chemistry. At 650 degrees C as the pyrolysis temperature, the most efficient adsorbents were obtained owing to a high reactivity of their oxides toward the formation of nitrites and nitrates. When the pyrolysis temperature is low, NO2 is reduced to NO on surface sulfides and reacts with surface oxides, forming nitrites and nitrates. When adsorbents are obtained at 950 degrees C, the chemically stable surface prevents the formation of nitrites and nitrates, and the majority of NO2 is reduced to NO in the highly carbonized carbonaceous phase.

  14. Performance of carbon material derived from starch mixed with flame retardant as electrochemical capacitor

    NASA Astrophysics Data System (ADS)

    Tsubota, Toshiki; Morita, Masaki; Murakami, Naoya; Ohno, Teruhisa

    2014-12-01

    Carbon materials derived from starch with an added flame retardant, such as melamine polyphosphate, melamine sulfate, guanylurea phosphate, or guanidine phosphate, were synthesized for investigating the performance as the electrode of an electrochemical capacitor. The yield after the heat treatment of the carbonization reaction increased by the addition of these flame retardants up to 800 °C. Although both the specific surface area and electrical resistivity are almost independent of the addition of the flame retardants, the capacitance values are improved with the addition of the flame retardants. The nitrogen atoms derived from the flame retardants are introduced to some extent into the synthesized carbon material. Moreover, the phosphorous atoms or the sulfur atoms derived from the flame retardants are doped into the synthesized carbon material. The method applied in this study, that is, the addition of flame retardants before the carbonization process can be used for the doping of the hetero atom such as N, P and S into the carbon material.

  15. High-throughput quantum chemistry and virtual screening for OLED material components

    NASA Astrophysics Data System (ADS)

    Halls, Mathew D.; Giesen, David J.; Hughes, Thomas F.; Goldberg, Alexander; Cao, Yixiang

    2013-09-01

    Computational structure enumeration, analysis using an automated simulation workflow and filtering of large chemical structure libraries to identify lead systems, has become a central paradigm in drug discovery research. Transferring this paradigm to challenges in materials science is now possible due to advances in the speed of computational resources and the efficiency and stability of chemical simulation packages. State-of-the-art software tools that have been developed for drug discovery can be applied to efficiently explore the chemical design space to identify solutions for problems such as organic light-emitting diode material components. In this work, virtual screening for OLED materials based on intrinsic quantum mechanical properties is illustrated. Also, a new approach to more reliably identify candidate systems is introduced that is based on the chemical reaction energetics of defect pathways for OLED materials.

  16. Preparation and application of a novel electrochemical sensing material based on surface chemistry of polyhydroquinone.

    PubMed

    Dang, Xueping; Wang, Yingkai; Hu, Chengguo; Huang, Jianlin; Chen, Huaixia; Wang, Shengfu; Hu, Shengshui

    2014-07-01

    A new analogue of polydopamine (PDA), i.e., polyhydroquinone (PH2Q), was polymerized and its surface chemistry was studied by different ways of characterization. PH2Q was produced by the self-polymerization of H2Q mediated by dissolved oxygen, and the self-polymerization process was strongly dependent on the type and the pH value of the buffer solutions. PH2Q can not only achieve surface hydrophilization of different substrates like polyethylene terephthalate (PET) film, graphite strip, C12SH/Au and wax slice, but also possess several unique properties like reversible adsorption, good solubility and low cost. These properties made PH2Q an ideal polymeric modifier for the noncovalent functionalization of some nanomaterials. By simply grinding with PH2Q, pristine multi-walled carbon nanotubes (MWNTs) can be readily dispersed in water with high solubility and good stability. The resulting MWNT-PH2Q composite exhibited excellent electrochemical performance, which was employed for the simultaneous determination of dopamine (DA) and uric acid (UA).

  17. Redox chemistry and metal-insulator transitions intertwined in a nano-porous material.

    PubMed

    Maximoff, Sergey N; Smit, Berend

    2014-06-06

    Metal-organic frameworks are nano-porous adsorbents of relevance to gas separation and catalysis, and separation of oxygen from air is essential to diverse industrial applications. The ferrous salt of 2,5-dihydroxy-terephthalic acid, a metal-organic framework of the MOF74 family, can selectively adsorb oxygen in a manner that defies the classical picture: adsorption sites either do or do not share electrons over a long range. Here we propose, and then justify phenomenologically and computationally, a mechanism. Charge-transfer-mediated adsorption of electron acceptor oxygen molecules in the metal-organic framework, which is a quasi-one-dimensional electron-donor semiconductor, drives and is driven by quasi-one-dimensional metal-insulator-metal transitions that localize or delocalize the quasi-one-dimensional electrons. This mechanism agrees with the empirical evidence, and predicts a class of nano-porous semiconductors or metals and potential adsorbents and catalysts in which chemistry and metal-insulator-metal transitions intertwine.

  18. Variation in material transport and water chemistry along a large ephemeral river in the Namib Desert

    USGS Publications Warehouse

    Jacobson, P.J.; Jacobson, K.M.; Angermeier, P.L.; Cherry, D.S.

    2000-01-01

    1. The chemical characteristics of floodwaters in ephemeral rivers are little known, particularly with regard to their organic loads. These rivers typically exhibit a pronounced downstream hydrological decay but few studies have documented its effect on chemical characteristics and material transport. To develop a better understanding of the dynamics of floods and associated material transport in large ephemeral rivers, floods of the ephemeral Kuiseb River in south-western Africa were tracked and repeatedly sampled at multiple points along the river's lower 220 km. 2. We quantified the composition and transport of solute and sediment loads in relation to longitudinal hydrological patterns associated with downstream hydrological decay. Source and sink areas for transported materials were identified, and the composition and transport dynamics of the organic matter load were compared to those described from more mesic systems. 3. Concentrations of sediments and solutes transported by floods in the Kuiseb River tended to increase downstream in association with pronounced hydrological decay. The contribution of particulate organic matter to total organic load is among the highest recorded, despite our observation of unusually high levels of dissolved organic matter. Hydrological decay resulted in deposition of all transported material within the lower Kuiseb River, with no discharge of water or materials to the Atlantic Ocean. 4. Our results suggest that longitudinal variation in surface flow and associated patterns of material transport renders the lower Kuiseb River a sink for materials transported from upstream. The downstream transport and deposition of large amounts of labile organic matter provides an important carbon supplement to heterotrophic communities within the river's lower reaches.

  19. Multimodal and self-healable interfaces enable strong and tough graphene-derived materials

    NASA Astrophysics Data System (ADS)

    Liu, Yilun; Xu, Zhiping

    2014-10-01

    Recent studies have shown that graphene-derived materials not only feature outstanding multifunctional properties, but also act as model materials to implant nanoscale structural engineering insights into their macroscopic performance optimization. In this work, we explore strengthening and toughening strategies of this class of materials by introducing multimodal crosslinks, including long, strong and short, self-healable ones. We identify two failure modes by fracturing functionalized graphene sheets or their crosslinks, and the role of brick-and-mortar hierarchy in mechanical enhancement. Theoretical analysis and atomistic simulation results show that multimodal crosslinks synergistically transfer tensile load to enhance the strength, whereas reversible rupture and formation of healable crosslinks improve the toughness. These findings lay the ground for future development of high-performance paper-, fiber- or film-like macroscopic materials from low-dimensional structures with engineerable interfaces.

  20. The Redox Chemistry and Chemical Biology of H2S, Hydropersulfides and Derived Species: Implications to Their Possible Biological Activity and Utility

    PubMed Central

    Ono, Katsuhiko; Akaike, Takaake; Sawa, Tomohiro; Kumagai, Yoshito; Wink, David A.; Tantillo, Dean J.; Hobbs, Adrian J.; Nagy, Peter; Xian, Ming; Lin, Joseph; Fukuto, Jon M.

    2014-01-01

    Hydrogen sulfide (H2S) is an endogenously generated and putative signaling/effector molecule. In spite of its numerous reported functions, the chemistry by which it elicits its functions is not understood. Moreover, recent studies allude to the existence of other sulfur species besides H2S that may play critical physiological roles. Herein, the basic chemical biology of H2S as well as other related or derived species is discussed and reviewed. A particular focus of this review are the per- and poly-sulfides which are likely in equilibrium with free H2S and which may be important biological effectors themselves. PMID:25229186

  1. Enhanced reversibility and durability of a solid oxide Fe-air redox battery by carbothermic reaction derived energy storage materials.

    PubMed

    Zhao, Xuan; Li, Xue; Gong, Yunhui; Huang, Kevin

    2014-01-18

    The recently developed solid oxide metal-air redox battery is a new technology capable of high-rate chemistry. Here we report that the performance, reversibility and stability of a solid oxide iron-air redox battery can be significantly improved by nanostructuring energy storage materials from a carbothermic reaction.

  2. An approach to determining the economic feasibility of refuse-derived fuels and materials recovery processing

    SciTech Connect

    Gershman, H.W.

    1980-06-01

    An approach for determining the economic feasibility of refuse-derived fuel production and the recovery of various materials is demonstrated, using data developed for the metropolitan Washington, D.C., area as input. The processing facility, designed to handle 650 tpd of refuse, is described. Since materials revenues can be predicted with a higher degree of certainty than refuse fuel revenues, it is necessary to determine what revenues the sale of solid waste fuel will have to generate for projected economics to be the same as an alternative disposal practice. (1 diagram, 8 references, 6 tables)

  3. Wet Chemistry Synthesis of Multidimensional Nanocarbon-Sulfur Hybrid Materials with Ultrahigh Sulfur Loading for Lithium-Sulfur Batteries.

    PubMed

    Du, Wen-Cheng; Yin, Ya-Xia; Zeng, Xian-Xiang; Shi, Ji-Lei; Zhang, Shuai-Feng; Wan, Li-Jun; Guo, Yu-Guo

    2016-02-17

    An optimized nanocarbon-sulfur cathode material with ultrahigh sulfur loading of up to 90 wt % is realized in the form of sulfur nanolayer-coated three-dimensional (3D) conducting network. This 3D nanocarbon-sulfur network combines three different nanocarbons, as follows: zero-dimensional carbon nanoparticle, one-dimensional carbon nanotube, and two-dimensional graphene. This 3D nanocarbon-sulfur network is synthesized by using a method based on soluble chemistry of elemental sulfur and three types of nanocarbons in well-chosen solvents. The resultant sulfur-carbon material shows a high specific capacity of 1115 mA h g(-1) at 0.02C and good rate performance of 551 mA h g(-1) at 1C based on the mass of sulfur-carbon composite. Good battery performance can be attributed to the homogeneous compositing of sulfur with the 3D hierarchical hybrid nanocarbon networks at nanometer scale, which provides efficient multidimensional transport pathways for electrons and ions. Wet chemical method developed here provides an easy and cost-effective way to prepare sulfur-carbon cathode materials with high sulfur loading for application in high-energy Li-S batteries. PMID:26378622

  4. Storm clouds on Saturn: Lightning-induced chemistry and associated materials consistent with Cassini/VIMS spectra

    USGS Publications Warehouse

    Baines, K.H.; Delitsky, M.L.; Momary, T.W.; Brown, R.H.; Buratti, B.J.; Clark, R.N.; Nicholson, P.D.

    2009-01-01

    Thunderstorm activity on Saturn is associated with optically detectable clouds that are atypically dark throughout the near-infrared. As observed by Cassini/VIMS, these clouds are ~20% less reflective than typical neighboring clouds throughout the spectral range from 0.8 ??m to at least 4.1 ??m. We propose that active thunderstorms originating in the 10-20 bar water-condensation region vertically transport dark materials at depth to the ~1 bar level where they can be observed. These materials in part may be produced by chemical processes associated with lightning, likely within the water clouds near the ~10 bar freezing level of water, as detected by the electrostatic discharge of lightning flashes observed by Cassini/RPWS (e.g., Fischer et al. 2008, Space Sci. Rev., 137, 271-285). We review lightning-induced pyrolytic chemistry involving a variety of Saturnian constituents, including hydrogen, methane, ammonia, hydrogen sulfide, phosphine, and water. We find that the lack of absorption in the 1-2 ??m spectral region by lightning-generated sulfuric and phosphorous condensates renders these constituents as minor players in determining the color of the dark storm clouds. Relatively small particulates of elemental carbon, formed by lightning-induced dissociation of methane and subsequently upwelled from depth - perhaps embedded within and on the surface of spectrally bright condensates such as ammonium hydrosulfide or ammonia - may be a dominant optical material within the dark thunderstorm-related clouds of Saturn. ?? 2009 Elsevier Ltd. All rights reserved.

  5. Electron-deficient anthraquinone derivatives as cathodic material for lithium ion batteries

    NASA Astrophysics Data System (ADS)

    Takeda, Takashi; Taniki, Ryosuke; Masuda, Asuna; Honma, Itaru; Akutagawa, Tomoyuki

    2016-10-01

    We studied the electronic and structural properties of electron-deficient anthraquinone (AQ) derivatives, Me4N4AQ and TCNAQ, and investigated their charge-discharge properties in lithium ion batteries along with those of AQ. Cyclic voltammogram, X-ray structure analysis and theoretical calculations revealed that these three acceptors have different features, such as different electron-accepting properties with different reduction processes and lithium coordination abilities, and different packing arrangements with different intermolecular interactions. These differences greatly affect the charge-discharge properties of lithium ion batteries that use these compounds as cathode materials. Among these compounds, Me4N4AQ showed a high charge/discharge voltage (2.9-2.5 V) with high cyclability (>65% of the theoretical capacity after 30 cycles; no decrease after 15 cycles). These results provide insight into more in-depth design principles for lithium ion batteries using AQ derivatives as cathodic materials.

  6. Molecular Environmental Science Using Synchrotron Radiation: Chemistry and Physics of Waste Form Materials

    SciTech Connect

    Lindle, Dennis W.

    2011-04-21

    Production of defense-related nuclear materials has generated large volumes of complex chemical wastes containing a mixture of radionuclides. The disposition of these wastes requires conversion of the liquid and solid-phase components into durable, solid forms suitable for long-term immobilization. Specially formulated glass compositions and ceramics such as pyrochlores and apatites are the main candidates for these wastes. An important consideration linked to the durability of waste-form materials is the local structure around the waste components. Equally important is the local structure of constituents of the glass and ceramic host matrix. Knowledge of the structure in the waste-form host matrices is essential, prior to and subsequent to waste incorporation, to evaluate and develop improved waste-form compositions based on scientific considerations. This project used the soft-x-ray synchrotron-radiation-based technique of near-edge x-ray-absorption fine structure (NEXAFS) as a unique method for investigating oxidation states and structures of low-Z elemental constituents forming the backbones of glass and ceramic host matrices for waste-form materials. In addition, light metal ions in ceramic hosts, such as titanium, are also ideal for investigation by NEXAFS in the soft-x-ray region. Thus, one of the main objectives was to understand outstanding issues in waste-form science via NEXAFS investigations and to translate this understanding into better waste-form materials, followed by eventual capability to investigate “real” waste-form materials by the same methodology. We conducted several detailed structural investigations of both pyrochlore ceramic and borosilicate-glass materials during the project and developed improved capabilities at Beamline 6.3.1 of the Advanced Light Source (ALS) to perform the studies.

  7. The Separate and Collective Effects of Personalization, Personification, and Gender on Learning with Multimedia Chemistry Instructional Materials

    ERIC Educational Resources Information Center

    Halkyard, Shannon

    2012-01-01

    Chemistry is a difficult subject to learn and teach for students in general. Additionally, female students are under-represented in chemistry and the physical sciences. Within chemistry, atomic and electronic structure is a key concept and several recommendations in the literature describe how this topic can be taught better. These recommendations…

  8. Dissolution chemistry and biocompatibility of single-crystalline silicon nanomembranes and associated materials for transient electronics.

    PubMed

    Hwang, Suk-Won; Park, Gayoung; Edwards, Chris; Corbin, Elise A; Kang, Seung-Kyun; Cheng, Huanyu; Song, Jun-Kyul; Kim, Jae-Hwan; Yu, Sooyoun; Ng, Joanne; Lee, Jung Eun; Kim, Jiyoung; Yee, Cassian; Bhaduri, Basanta; Su, Yewang; Omennetto, Fiorenzo G; Huang, Yonggang; Bashir, Rashid; Goddard, Lynford; Popescu, Gabriel; Lee, Kyung-Mi; Rogers, John A

    2014-06-24

    Single-crystalline silicon nanomembranes (Si NMs) represent a critically important class of material for high-performance forms of electronics that are capable of complete, controlled dissolution when immersed in water and/or biofluids, sometimes referred to as a type of "transient" electronics. The results reported here include the kinetics of hydrolysis of Si NMs in biofluids and various aqueous solutions through a range of relevant pH values, ionic concentrations and temperatures, and dependence on dopant types and concentrations. In vitro and in vivo investigations of Si NMs and other transient electronic materials demonstrate biocompatibility and bioresorption, thereby suggesting potential for envisioned applications in active, biodegradable electronic implants.

  9. Investigations of the structure and "interfacial" surface chemistry of Bioglass (RTM) materials by solid-state multinuclear NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Sarkar, Gautam

    Bioactive materials such as BioglassRTM 45S5 (45% SiO 2, 24.5% CaO, 24.5% Na2O, and 6% P2O5 by weight) are sodium-phosphosilicate glasses containing independent three-dimensional silicate and phosphate networks and Na+ and Ca2+ ions as modifying cations. Due to their bioactivity, these materials are currently used as implants and for other surgical and clinical applications. The bioactivity of BioglassesRTM is due to their unique capability to form chemical bonds to tissues through an octacalciumphosphate (OCP)- and/or hydroxyapatite-like (HA) "interfacial" matrix. The formation of OCP and/or HA is preceded by the formation of a silica-rich surface layer and the subsequent growth of an amorphous calcium phosphate (a-CP) layer. Structural characterization of a series of commercial and synthesized Bioglass materials 45S5 52S, 55S, 60S, and synthesized 17O-labelled "Bioglass materials 45S, 52S, 55S and 60S" have been obtained using solid-state single-pulse magic-angle spinning (SP/MAS) 17O, 23Na, 29Si and 31P NMR. The 17O NMR isotropic chemical shifts and estimates of the quadrupole coupling constants (Cq) [at fixed asymmetry parameter ( hQ ) values of zero] have been obtained from solid-state spin-echo 17O SP/MAS NMR spectra of 17O-labelled "Bioglasses". The simulation results of these spectra reveal the presence of both bridging-oxygens (BO, i.e. ≡ Si-17OSi ≡ ) and non-bridging oxygens (NBO, i.e. ≡ Si-17O-Na+/Ca2+ ) in the silicate networks in these materials. 17O NMR spectra of these Bioglass materials do not show any direct evidence for the presence of BO and NBO atoms in the phosphate units; however, they are expected to be present in small amounts. In vitro reactions of BioglassRTM 45S5, 60S and 77S powders have been used to study the "interfacial" surface chemistry of these materials in simulated body-fluid (SBF, Kyoto or K9 solution) and/or 17O-enriched tris-buffer solution. 29Si and 31P SP/MAS NMR have been used to identify and quantify the extent of

  10. Accuracy of the domain method for the material derivative approach to shape design sensitivities

    NASA Technical Reports Server (NTRS)

    Yang, R. J.; Botkin, M. E.

    1987-01-01

    Numerical accuracy for the boundary and domain methods of the material derivative approach to shape design sensitivities is investigated through the use of mesh refinement. The results show that the domain method is generally more accurate than the boundary method, using the finite element technique. It is also shown that the domain method is equivalent, under certain assumptions, to the implicit differentiation approach not only theoretically but also numerically.

  11. Innovative approach for producing injectable, biodegradable materials using chitooligosaccharides and green chemistry.

    PubMed

    Boesel, Luciano F; Reis, Rui L; Román, Julio San

    2009-03-01

    Although there are a number of injectable biomaterials currently under development, they present some drawbacks such as being based on synthetic polymers, needing toxic or aggressive synthesis procedures or using raw materials with low availability and/or high production costs. Having this in mind, a novel injectable biomaterial using chitooligosaccharides as starting materials was developed. This system uses a widely available and cheap polymer from marine biomass (chitosan), which can be turned into an injectable material by water-based and ecologically friendly reactions. Chitooligosaccharides were functionalized with methacrylic groups, to allow in situ cross-linking. The degree of substitution, as determined by (1)H NMR, varied between 5 and 50%. The system was characterized in terms of kinetics of gel formation, rheology, degradation behavior and in vitro cytotoxicity. The gelation time could be easily tailored between 1.5 and 60 min by changing the conditions of the methacrylation reaction, and the final gel presented rheological properties typical of strong gels, that is, shear stresses in the kPa range. The cross-linked gel was degradable and nontoxic, presenting indeed an interesting cytokinetic effect. Injectable materials based on chitooligosaccharides are, therefore, an innovative system combining adequate biological performance, ease of preparation, and an ecologically friendly concept of production. PMID:19182891

  12. Innovative approach for producing injectable, biodegradable materials using chitooligosaccharides and green chemistry.

    PubMed

    Boesel, Luciano F; Reis, Rui L; Román, Julio San

    2009-03-01

    Although there are a number of injectable biomaterials currently under development, they present some drawbacks such as being based on synthetic polymers, needing toxic or aggressive synthesis procedures or using raw materials with low availability and/or high production costs. Having this in mind, a novel injectable biomaterial using chitooligosaccharides as starting materials was developed. This system uses a widely available and cheap polymer from marine biomass (chitosan), which can be turned into an injectable material by water-based and ecologically friendly reactions. Chitooligosaccharides were functionalized with methacrylic groups, to allow in situ cross-linking. The degree of substitution, as determined by (1)H NMR, varied between 5 and 50%. The system was characterized in terms of kinetics of gel formation, rheology, degradation behavior and in vitro cytotoxicity. The gelation time could be easily tailored between 1.5 and 60 min by changing the conditions of the methacrylation reaction, and the final gel presented rheological properties typical of strong gels, that is, shear stresses in the kPa range. The cross-linked gel was degradable and nontoxic, presenting indeed an interesting cytokinetic effect. Injectable materials based on chitooligosaccharides are, therefore, an innovative system combining adequate biological performance, ease of preparation, and an ecologically friendly concept of production.

  13. Soil Chemistry Still Affected 23 Years After Large Application of Fluidized Bed Material

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study was conducted to assess the movement of arsenic, aluminum, calcium, copper, iron, lead, magnesium, manganese, mercury and zinc in an old apple (Malus domestica Borkh) orchard that received a one time application of 36 kg/ m2 of fluidized bed combustion material (FBCM) 23 years earlier. S...

  14. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents chemistry experiments, laboratory procedures, demonstrations, teaching suggestions, and classroom materials/activities. These include: game for teaching ionic formulas; method for balancing equations; description of useful redox series; computer programs (with listings) for water electrolysis simulation and for determining chemical…

  15. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents chemistry experiments, laboratory procedures, demonstrations, and classroom materials/activities. These include: experiments on colloids, processing of uranium ore, action of heat on carbonates; color test for phenols and aromatic amines; solvent properties of non-electrolytes; stereoscopic applications/methods; a valency balance;…

  16. Further investigation of the impact of the co-combustion of tire-derived fuel and petroleum coke on the petrology and chemistry of coal combustion products

    SciTech Connect

    Hower, J.C.; Robertson, J.D.; Elswick, E.R.; Roberts, J.M.; Brandsteder, K.; Trimble, A.S.; Mardon, S.M.

    2007-07-01

    A Kentucky cyclone-fired unit burns coal and tire-derived fuel, sometimes in combination with petroleum coke. A parallel pulverized combustion (pc) unit at the same plant burns the same coal, without the added fuels. The petrology, chemistry, and sulfur isotope distribution in the fuel and resulting combustion products was investigated for several configurations of the fuel blend. Zinc and Cd in the combustion products are primarily contributed from the tire-derived fuel, the V and Ni are primarily from the petroleum coke, and the As and Hg are probably largely from the coal. The sulfur isotope distribution in the cyclone unit is complicated due to the varying fuel sources. The electrostatic precipitator (ESP) array in the pc unit shows a subtle trend towards heavier S isotopic ratios in the cooler end of the ESP.

  17. a Study of the Materials Chemistry of Monolayer Oxides on Compound Semiconductors

    NASA Astrophysics Data System (ADS)

    Lu, Zhong

    In this dissertation, a study of deep-ultraviolet -light-enhanced (4.1 < hnu < 5.1 eV) oxygen reaction on GaAs from submonolayer to several monolayers coverage is presented. The reaction is nonthermal and does not involve gas-phase excitation or dissociation of O_2. Our experiments show a distinct wavelength and coverage dependence for the photoenhancement. The results indicate that a mechanism based on photoemission of electrons into the growing oxide film is most in accord with the experimental observations. The surface chemistry of GaAs-oxide removal and the passivation mechanism with Electron Cyclotron Resonance (ECR) hydrogen plasma has been investigated. It is found that As-oxide is efficiently removed at room temperature, and heating expedites the removal of Ga-oxide. Band bending, which correlates with the surface state density changes during ECR hydrogen-plasma oxide reduction, is also observed. This type of change in band bending could well be responsible for the hydrogen plasma passivation effect on many GaAs based devices. ECR oxidation at room temperature forms a stoichiometric oxide layer which is primarily composed of As_2 O_5 and Ga_2 O_3. We also studied the thermal reaction of As _2O_5 with GaAs at temperatures below 550^circC. A solid-state interface reaction of 4GaAs + 3As_2 O_5 to 2Ga _2O_3 + 3As _2O_3 + 4As, which includes the usual native oxide thermal reaction: 2GaAs + As_2O_3 to Ga_2O_3 + 4As, as well as a decomposition reaction, As _2O_5 to As _2O_3 + O _2, is responsible for the thermal reaction in this temperature range. A similar ECR-H oxide removal on GaSb surfaces shows that Sb-oxide removal occurs at room temperature, while Ga-oxide removal occurs at a temperature of ~250^circC. In addition, we have found that subsequent exposure to N _2 plasma leaves a thin nitride layer which prevents degradation of the H-cleaned surface and passivates the surface. We have applied this technique to the processing of an AlGaSb PIN photodiode. Our

  18. Physical properties and biocompatibility of UHMWPE-derived materials modified by synchrotron radiation.

    PubMed

    Bykova, Iu; Weinhardt, V; Kashkarova, A; Lebedev, S; Baumbach, T; Pichugin, V; Zaitsev, K; Khlusov, I

    2014-08-01

    The applications of synchrotron radiation (SR) in medical imaging have become of great use, particularly in angiography, bronchography, mammography, computed tomography, and X-ray microscopy. Thanks to recently developed phase contrast imaging techniques non-destructive preclinical testing of low absorbing materials such as polymers has become possible. The focus of the present work is characterization and examination of UHMWPE-derived materials widely used in medicine, before and after their exposure to SR during such testing. Physical properties, such as wettability, surface energy, IR-spectroscopy, roughness, optical microscopy, microhardness measurements of UHMWPE samples were studied before and after SR. The relationship between a growth of UHMWPE surface hydrophilicity after SR and surface colonization by stromal cells was studied in vitro. Obtained results demonstrate that SR may be used as prospective direction to examine bulk (porous) structure of polymer materials and/or to modify polymer surface and volume for tissue engineering.

  19. A Potential Function Derivation of a Constitutive Equation for Inelastic Material Response

    NASA Technical Reports Server (NTRS)

    Stouffer, D. C.; Elfoutouh, N. A.

    1983-01-01

    Physical and thermodynamic concepts are used to develop a potential function for application to high temperature polycrystalline material response. Inherent in the formulation is a differential relationship between the potential function and constitutive equation in terms of the state variables. Integration of the differential relationship produces a state variable evolution equation that requires specification of the initial value of the state variable and its time derivative. It is shown that the initial loading rate, which is directly related to the initial hardening rate, can significantly influence subsequent material response. This effect is consistent with observed material behavior on the macroscopic and microscopic levels, and may explain the wide scatter in response often found in creep testing.

  20. Processing and Material Characterization of Continuous Basalt Fiber Reinforced Ceramic Matrix Composites Using Polymer Derived Ceramics.

    NASA Technical Reports Server (NTRS)

    Cox, Sarah B.

    2014-01-01

    The need for high performance vehicles in the aerospace industry requires materials which can withstand high loads and high temperatures. New developments in launch pads and infrastructure must also be made to handle this intense environment with lightweight, reusable, structural materials. By using more functional materials, better performance can be seen in the launch environment, and launch vehicle designs which have not been previously used can be considered. The development of high temperature structural composite materials has been very limited due to the high cost of the materials and the processing needed. Polymer matrix composites can be used for temperatures up to 260C. Ceramics can take much higher temperatures, but they are difficult to produce and form in bulk volumes. Polymer Derived Ceramics (PDCs) begin as a polymer matrix, allowing a shape to be formed and cured and then to be pyrolized in order to obtain a ceramic with the associated thermal and mechanical properties. The use of basalt in structural and high temperature applications has been under development for over 50 years, yet there has been little published research on the incorporation of basalt fibers as a reinforcement in the composites. In this study, continuous basalt fiber reinforced PDCs have been fabricated and tested for the applicability of this composite system as a high temperature structural composite material. The oxyacetylene torch testing and three point bend testing have been performed on test panels and the test results are presented.

  1. Gas-phase exposure history derived from material-phase concentration profiles

    NASA Astrophysics Data System (ADS)

    Morrison, G. C.; Little, J. C.; Xu, Y.; Rao, M.; Enke, D.

    Non-reactive gas-phase pollutants such as benzene diffuse into indoor furnishings and leave behind a unique material-phase concentration profile that serves as a record of the past gas-phase indoor concentrations. The inverse problem to be solved is the diffusion equation in a slab such as vinyl flooring. Using knowledge of the present material-phase concentration profile in the slab, we seek to determine the historical material-phase concentration at the surface exposed to indoor air, and hence the historical gas-phase concentration, which can be used directly to determine exposure. The problem as posed has a unique solution that may be solved using a variety of approaches. We use a trained artificial neural network (ANN) to derive solutions for hypothetical exposure scenarios. The ANN results show that it is possible to estimate the intensity and timing of past exposures from the material-phase concentration profile in a building material. The overall method is limited by (1) the resolution of techniques for measuring spatial material-phase concentration profiles, (2) how far back in time we seek to determine exposure and (3) the representational power of the ANN solution. For example, we estimate that this technique can estimate exposure to phenol up to 0.5 y in the past from analyses of vinyl flooring.

  2. Structure and bioactivity studies of new polysiloxane-derived materials for orthopedic applications

    NASA Astrophysics Data System (ADS)

    Paluszkiewicz, Czesława; Gumuła, Teresa; Podporska, Joanna; Błażewicz, Marta

    2006-07-01

    The aim of this work was to examine the structure of new calcium silicate bioactive ceramic implant material for bone surgery applications. The bioceramic material was obtained by thermal treatment of active fillers-containing organosilicon polymer precursor. Different ceramic active fillers, namely Ca(OH) 2, CaCO 3, Na 2HPO 4 and SiO 2 powders were used. The phase composition of ceramic samples obtained by thermal transformation of active fillers containing polysiloxane was investigated. Morphology and structure of ceramic phases were characterized by means of scanning electron microscopy (SEM) with EDS point analysis, FTIR spectroscopy and XRD analysis. It was found that thermal treatment of active fillers-containing organosilicon precursor lead to the formation of wollastonite-containing ceramic material. This ceramic material showed bioactivity in 'in vitro' conditions studied by immersing the samples in simulated body fluid (SBF). The surface of wollastonite-containing ceramic before and after immersion in SBF was analysed. It can be concluded that this kind of ceramic material may be useful as bone substitute. FTIR spectroscopy is an adequate device for the determination of such derived materials structure.

  3. Boosting electrical conductivity in a gel-derived material by nanostructuring with trace carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Canevet, David; Pérez Del Pino, Angel; Amabilino, David B.; Sallé, Marc

    2011-07-01

    An organogelator with two distinct π-functional units is able to incorporate carbon nanotubes into its mesh of fibres in the gel state. The morphology of the material derived from this nanocomposite after evaporation of the solvent is a complex mesh of fibres which is clearly different from the pure gelator. This feature indicates a role of the nanotubes in assisting the formation of a fibre structure in the gel thanks to their interaction with the pyrene units in the organogelator. The nanocomposite conducts electricity once the p-type gelator is doped with iodine vapour. The change in morphology caused by the carbon material increases the conductivity of the material compared with the purely organic conducting system. It is remarkable that this improvement in the physical property is caused by an extremely small proportion of the carbon material (only present at a ratio of 0.1% w/w). The practically unique properties of TTF unit allow measurements with both doped and undoped materials with conducting atomic force microscopy which have demonstrated that the carbon nanotubes are not directly responsible for the increased conductivity.An organogelator with two distinct π-functional units is able to incorporate carbon nanotubes into its mesh of fibres in the gel state. The morphology of the material derived from this nanocomposite after evaporation of the solvent is a complex mesh of fibres which is clearly different from the pure gelator. This feature indicates a role of the nanotubes in assisting the formation of a fibre structure in the gel thanks to their interaction with the pyrene units in the organogelator. The nanocomposite conducts electricity once the p-type gelator is doped with iodine vapour. The change in morphology caused by the carbon material increases the conductivity of the material compared with the purely organic conducting system. It is remarkable that this improvement in the physical property is caused by an extremely small proportion of the

  4. The Contributions of Chemistry and Transport to Low Arctic Ozone in March 2011 Derived from Aura MLS Observations

    NASA Technical Reports Server (NTRS)

    Strahan, S. E.; Douglass, A. R.; Newman, P. A.

    2012-01-01

    Stratospheric and total columns of Arctic O3 (63-90 N) in late March 2011 averaged 320 and 349 DU, respectively. These values are 74 DU lower than averages for the previous 6 years. We use Aura MLS O3 observations to quantify the roles of chemistry and transport and find there are two major reasons for low O3 in March 2011: heterogeneous chemical loss and a late final warming that delayed the resupply of O3 until April. Daily vortex-averaged partial columns in the lowermost stratosphere (p greater than 133 hPa) and middle stratosphere (p less than 29 hPa) are unaffected by local heterogeneous chemistry and show a near total lack of transport into the vortex between late January and late March, contributing to the observed low column. The lower stratospheric (LS) column (133-29 hPa) is affected by both heterogeneous chemistry and transport. Low interannual variability of Aura MLS 0 3 columns and temperature inside the Arctic vortex (2004-2011) shows that the transport contribution to vortex O3 in fall and early winter is nearly the same each year. The descent of MLS N2O vortex profiles in 2011 provides an estimate of O3 transported into the LS column during late winter. By quantifying the role of transport we determine that PSC-driven chemical loss causes 80 (plus or minus 10) DU of vortex-averaged O3 loss by late March 2011. Without heterogeneous chemical loss, March 2011 vortex O3 would have been 40 DU lower than normal due to the late final warming and resupply of O3 which did not occur until April.

  5. Efficient complexation between pillar[5]arenes and neutral guests: from host-guest chemistry to functional materials.

    PubMed

    Wang, Yiliang; Ping, Guchuan; Li, Chunju

    2016-08-01

    Since their discovery in 2008, pillar[n]arenes have been a popular family of macrocyclic arene hosts due to their accessible one-step synthesis, convenient functionalization, symmetrical prism structures and perfect cavity host-guest properties. Compared with other macrocyclic hosts, the most peculiar recognition behavior of pillararenes is the strong binding affinities of pillar[5]arenes (P5As) towards neutral guests in organic media, which is unfeasible for classic crown ethers and calixarenes. The intriguing properties have found extensive applications in many fields from supramolecular chemistry to materials science. This feature article provides a detailed summary of the molecular recognition of P5As and neutral guests, where the driving forces, binding mechanisms, and binding selectivities are comprehensively discussed. Furthermore, brief highlights of research progress in the functional applications based on the neutral guest⊂P5A motifs were also discussed, including the construction of complex topological superstructures (e.g. rotaxanes, catenanes and daisy chains), supramolecular polymers, and functional materials. PMID:27351168

  6. Silicification of peptide-coated silver nanoparticles--A Biomimetic soft chemistry approach toward chiral hybrid core-shell materials.

    PubMed

    Graf, Philipp; Mantion, Alexandre; Haase, Andrea; Thünemann, Andreas F; Masić, Admir; Meier, Wolfgang; Luch, Andreas; Taubert, Andreas

    2011-02-22

    Silica and silver nanoparticles are relevant materials for new applications in optics, medicine, and analytical chemistry. We have previously reported the synthesis of pH responsive, peptide-templated, chiral silver nanoparticles. The current report shows that peptide-stabilized nanoparticles can easily be coated with a silica shell by exploiting the ability of the peptide coating to hydrolyze silica precursors such as TEOS or TMOS. The resulting silica layer protects the nanoparticles from chemical etching, allows their inclusion in other materials, and renders them biocompatible. Using electron and atomic force microscopy, we show that the silica shell thickness and the particle aggregation can be controlled simply by the reaction time. Small-angle X ray scattering confirms the Ag/peptide@silica core-shell structure. UV-vis and circular dichroism spectroscopy prove the conservation of the silver nanoparticle chirality upon silicification. Biological tests show that the biocompatibility in simple bacterial systems is significantly improved once a silica layer is deposited on the silver particles.

  7. Green Chemistry and Education.

    ERIC Educational Resources Information Center

    Hjeresen, Dennis L.; Schutt, David L.; Boese, Janet M.

    2000-01-01

    Many students today are profoundly interested in the sustainability of their world. Introduces Green Chemistry and its principles with teaching materials. Green Chemistry is the use of chemistry for pollution prevention and the design of chemical products and processes that are environmentally benign. (ASK)

  8. Chemistry Experiments

    NASA Technical Reports Server (NTRS)

    Brasseur, Guy; Remsberg, Ellis; Purcell, Patrick; Bhatt, Praful; Sage, Karen H.; Brown, Donald E.; Scott, Courtney J.; Ko, Malcolm K. W.; Tie, Xue-Xi; Huang, Theresa

    1999-01-01

    The purpose of the chemistry component of the model comparison is to assess to what extent differences in the formulation of chemical processes explain the variance between model results. Observed concentrations of chemical compounds are used to estimate to what degree the various models represent realistic situations. For readability, the materials for the chemistry experiment are reported in three separate sections. This section discussed the data used to evaluate the models in their simulation of the source gases and the Nitrogen compounds (NO(y)) and Chlorine compounds (Cl(y)) species.

  9. Chemistry in confining reaction fields with special emphasis on nanoporous materials.

    PubMed

    Polarz, Sebastian; Kuschel, Andreas

    2008-01-01

    The everyday routine of most chemists is dictated by large numbers. The chemical rules for ensembles of molar size (N approximately N(A)=6.022 x 10(23)) are well known and can be understood in most cases by using Boltzmann distribution. It is an interesting question how a small ensemble of a chemical system behaves and if it differs from the respective large-ensemble counterpart. The experimental approach presented in the current paper involves the division of a macroscopic volume into compartments that contain only a small number of reactants. The compartments represent the pores of tailor-made nanoporous materials.

  10. Method and apparatus for analyzing the internal chemistry and compositional variations of materials and devices

    DOEpatents

    Kazmerski, Lawrence L.

    1989-01-01

    A method and apparatus is disclosed for obtaining and mapping chemical compositional data for solid devices. It includes a SIMS mass analyzer or similar system capable of being rastered over a surface of the solid to sample the material at a pattern of selected points, as the surface is being eroded away by sputtering or a similar process. The data for each point sampled in a volume of the solid is digitally processed and indexed by element or molecule type, exact spacial location within the volume, and the concentration levels of the detected element or molecule types. This data can then be recalled and displayed for any desired planar view in the volume.

  11. Method and apparatus for analyzing the internal chemistry and compositional variations of materials and devices

    DOEpatents

    Kazmerski, L.L.

    1985-04-30

    A method and apparatus is disclosed for obtaining and mapping chemical compositional data for solid devices. It includes a SIMS mass analyzer or similar system capable of being rastered over a surface of the solid to sample the material at a pattern of selected points, as the surface is being eroded away by sputtering or a similar process. The data for each point sampled in a volume of the solid is digitally processed and indexed by element or molecule type, exact spacial location within the volume, and the concentration levels of the detected element or molecule types. This data can then be recalled and displayed for any desired planar view in the volume.

  12. Environmental Degradation of Materials: Surface Chemistry Related to Stress Corrosion Cracking

    NASA Technical Reports Server (NTRS)

    Schwarz, J. A.

    1985-01-01

    Parallel experiments have been performed in order to develop a comprehensive model for stress cracking (SCC) in structural materials. The central objective is to determine the relationship between the activity and selectivity of the microstructure of structural materials to their dissolution kinetics and experimentally measured SCC kinetics. Zinc was chosen as a prototype metal system. The SCC behavior of two oriented single-crystal disks of zinc in a chromic oxide/sodium sulfate solution (Palmerton solution) were determined. It was found that: (1) the dissolution rate is strongly (hkil)-dependent and proportional to the exposure time in the aggressive environment; and (2) a specific slip system is selectively active to dissolution under applied stress and this slip line controls crack initiation and propagation. As a precursor to potential microgrvity experiments, electrophoretic mobility measurements of zinc particles were obtained in solutions of sodium sulfate (0.0033 M) with concentrations of dissolved oxygen from 2 to 8 ppm. The equilibrium distribution of exposed oriented planes as well as their correlation will determine the particle mobility.

  13. Antioxidant Chemistry of Graphene-Based Materials and its Role in Oxidation Protection Technology

    PubMed Central

    Qiu, Yang; Wang, Zhongying; Owens, Alisa C.E.; Kulaots, Indrek; Chen, Yantao; Kane, Agnes B.; Hurt, Robert H.

    2015-01-01

    Two-dimensional nanomaterials have potential as a new class of antioxidants that combine physical barrier function with ultrahigh surface area for free radical scavenging. This work presents the first measurements of the chemical reactivities of graphene-based materials toward a set of model free radicals and reactive oxygen species using electron paramagnetic resonance spectroscopy (EPR) and sacrificial dye protection assays. Graphene-based materials are shown to protect a variety of molecular targets from oxidation by these species, and to be highly effective as hydroxyl-radical scavengers. When hydroxyl radical is produced photolytically, the overall antioxidant effect is a combination of preventative antioxidant activity (UV absorption) and ·OH radical scavenging. Few-layer graphene is more active than monolayer graphene oxide, despite its lower surface area, which indicates that the primary scavenging sites are associated with the sp2-carbon network rather than oxygen-containing functional groups. To explain this trend, we propose that GO is a weak hydrogen donor, due to the non-phenolic nature of most OH groups on GO, which reside at basal sp3-carbon sites that do not allow for radical resonance stabilization following hydrogen donation. As an example application of graphene antioxidant behavior, we show that encapsulation of TiO2 nanoparticles in graphene nanosacks reduces undesired photo-oxidative damage to nearby organic target molecules, which suggests graphene encapsulation as a new approach to managing adverse environmental or health impacts of redox-active nanomaterials. PMID:25157875

  14. The Mole as an Explanatory Device: How Do You Know a Mole if You See One? A Manual for Chemistry Students. Sample Teaching Materials: The Explanatory Modes Project.

    ERIC Educational Resources Information Center

    Roberts, Douglas A.

    This booklet is designed to supplement the study of introductory chemistry. It deals particularly with the mole concept but also includes ideas for analyzing the kinds of statements that appear in all science textbooks and scientific writing. The material in the booklet should be studied after the completion of an introductory textbook study of…

  15. Derivation of cesium-137 residual radioactive material guidelines for the Peek Street site, Schenectady, New York

    SciTech Connect

    Jones, L.; Nimmagadda, M.; Yu, C.

    1992-01-01

    Residual radioactive material guidelines for cesium-137 were derived for the Peek rk. The derivation was based on the requirement that the Street site in Schenectady, New York. The derivation was based on the requirement that the 50-year committed effective dose equivalent to a hypothetical individual who lives or works in the immediate vicinity of the Peek Street site should not exceed a dose of 100 mrem/yr following remedial action. The US Department of Energy (DOE) residual radioactive material guideline computer code, RESRAD was used in this evaluation. Three potential scenarios were considered for the site on the assumption that for a period of 1,000 years following remedial action, the site wig be utilized without radiological restrictions. The scenarios vary with regard to use of the site, time spent at the site, and sources of food consumed. Results indicate that the basic dose limit of 100 mrem/yr will not be exceeded for cesium-137 within 1,000 years, provided that the soil concentration of cesium-137 at the Peek Street site does not exceed the following levels: 98 pCi/g for Scenario A (industrial worker: the expected scenario), 240 pCi/g for Scenario B (recreationist: a plausible scenario), and 34 pCi/g for Scenario C (resident farmer ingesting food produced in the decontaminated area: a plausible scenario).

  16. Effects of steam activation on the pore structure and surface chemistry of activated carbon derived from bamboo waste

    NASA Astrophysics Data System (ADS)

    Zhang, Yan-Juan; Xing, Zhen-Jiao; Duan, Zheng-Kang; Li, Meng; Wang, Yin

    2014-10-01

    The effects of steam activation on the pore structure evolution and surface chemistry of activated carbon (AC) obtained from bamboo waste were investigated. Nitrogen adsorption-desorption isotherms revealed that higher steam activation temperatures and/or times promoted the creation of new micropores and widened the existing micropores, consequently decreasing the surface area and total pore volume. Optimum conditions included an activation temperature of 850 °C, activation time of 120 min, and steam flush generated from deionized water of 0.2 cm3 min-1. Under these conditions, AC with a BET surface area of 1210 m2 g-1 and total pore volume of 0.542 cm-3 g-1was obtained. Changes in surface chemistry were determined through Boehm titration, pH measurement, Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). Results revealed the presence of a large number of basic groups on the surface of the pyrolyzed char and AC. Steam activation did not affect the species of oxygen-containing groups but changed the contents of these species when compared with pyrolyzed char. Scanning electron microscopy was used to observe the surface morphology of the products. AC obtained under optimum conditions showed a monolayer adsorption capacity of 330 mg g-1 for methylene blue (MB), which demonstrates its excellent potential for MB adsorption applications.

  17. Antioxidant chemistry of graphene-based materials and its role in oxidation protection technology

    NASA Astrophysics Data System (ADS)

    Qiu, Yang; Wang, Zhongying; Owens, Alisa C. E.; Kulaots, Indrek; Chen, Yantao; Kane, Agnes B.; Hurt, Robert H.

    2014-09-01

    Two-dimensional nanomaterials have potential as a new class of antioxidants that combine physical barrier function with ultrahigh surface area for free radical scavenging. This work presents the first measurements of the chemical reactivities of graphene-based materials toward a set of model free radicals and reactive oxygen species using electron paramagnetic resonance spectroscopy (EPR) and sacrificial dye protection assays. Graphene-based materials are shown to protect a variety of molecular targets from oxidation by these species, and to be highly effective as hydroxyl-radical scavengers. When the hydroxyl radical is produced photolytically, the overall antioxidant effect is a combination of preventative antioxidant activity (UV absorption) and &z.rad;OH radical scavenging. Few-layer graphene is more active than monolayer graphene oxide, despite its lower surface area, which indicates that the primary scavenging sites are associated with the sp2-carbon network rather than oxygen-containing functional groups. To explain this trend, we propose that GO is a weak hydrogen donor, due to the non-phenolic nature of most OH groups on GO, which reside at basal sp3-carbon sites that do not allow for radical resonance stabilization following hydrogen donation. As an example application of graphene antioxidant behavior, we show that encapsulation of TiO2 nanoparticles in graphene nanosacks reduces undesired photo-oxidative damage to nearby organic target molecules, which suggests graphene encapsulation as a new approach to managing adverse environmental or health impacts of redox-active nanomaterials.Two-dimensional nanomaterials have potential as a new class of antioxidants that combine physical barrier function with ultrahigh surface area for free radical scavenging. This work presents the first measurements of the chemical reactivities of graphene-based materials toward a set of model free radicals and reactive oxygen species using electron paramagnetic resonance

  18. Chemistry Based on Renewable Raw Materials: Perspectives for a Sugar Cane-Based Biorefinery

    PubMed Central

    Villela Filho, Murillo; Araujo, Carlos; Bonfá, Alfredo; Porto, Weber

    2011-01-01

    Carbohydrates are nowadays a very competitive feedstock for the chemical industry because their availability is compatible with world-scale chemical production and their price, based on the carbon content, is comparable to that of petrochemicals. At the same time, demand is rising for biobased products. Brazilian sugar cane is a competitive feedstock source that is opening the door to a wide range of bio-based products. This essay begins with the importance of the feedstock for the chemical industry and discusses developments in sugar cane processing that lead to low cost feedstocks. Thus, sugar cane enables a new chemical industry, as it delivers a competitive raw material and a source of energy. As a result, sugar mills are being transformed into sustainable biorefineries that fully exploit the potential of sugar cane. PMID:21637329

  19. Impact of fluorine based reactive chemistry on structure and properties of high moment magnetic material

    SciTech Connect

    Yang, Xiaoyu Chen, Lifan; Han, Hongmei; Fu, Lianfeng; Sun, Ming; Liu, Feng; Zhang, Jinqiu

    2014-05-07

    The impact of the fluorine-based reactive ion etch (RIE) process on the structural, electrical, and magnetic properties of NiFe and CoNiFe-plated materials was investigated. Several techniques, including X-ray fluorescence, 4-point-probe, BH looper, transmission electron microscopy (TEM), and electron energy loss spectroscopy (EELS), were utilized to characterize both bulk film properties such as thickness, average composition, Rs, ρ, Bs, Ms, and surface magnetic “dead” layers' properties such as thickness and element concentration. Experimental data showed that the majority of Rs and Bs changes of these bulk films were due to thickness reduction during exposure to the RIE process. ρ and Ms change after taking thickness reduction into account were negligible. The composition of the bulk films, which were not sensitive to surface magnetic dead layers with nano-meter scale, showed minimum change as well. It was found by TEM and EELS analysis that although both before and after RIE there were magnetic dead layers on the top surface of these materials, the thickness and element concentration of the layers were quite different. Prior to RIE, dead layer was actually native oxidation layers (about 2 nm thick), while after RIE dead layer consisted of two sub-layers that were about 6 nm thick in total. Sub-layer on the top was native oxidation layer, while the bottom layer was RIE “damaged” layer with very high fluorine concentration. Two in-situ RIE approaches were also proposed and tested to remove such damaged sub-layers.

  20. On the heat flux vector for flowing granular materials--part II: derivation and special cases

    SciTech Connect

    Massoudi, Mehrdad

    2006-09-10

    Heat transfer plays a major role in the processing of many particulate materials. The heat flux vector is commonly modelled by the Fourier's law of heat conduction and for complex materials such as non-linear fluids, porous media, or granular materials, the coefficient of thermal conductivity is generalized by assuming that it would depend on a host of material and kinematical parameters such as temperature, shear rate, porosity or concentration, etc. In Part I, we will give a brief review of the basic equations of thermodynamics and heat transfer to indicate the importance of the modelling of the heat flux vector. We will also discuss the concept of effective thermal conductivity (ETC) in granular and porous media. In Part II, we propose and subsequently derive a properly frame-invariant constitutive relationship for the heat flux vector for a (single phase) flowing granular medium. Standard methods in continuum mechanics such as representation theorems and homogenization techniques are used. It is shown that the heat flux vector in addition to being proportional to the temperature gradient (the Fourier's law), could also depend on the gradient of density (or volume fraction), and D (the symmetric part of the velocity gradient) in an appropriate manner. The emphasis in this paper is on the idea that for complex non-linear materials it is the heat flux vector which should be studied; obtaining or proposing generalized form of the thermal conductivity is not always appropriate or sufficient.

  1. Processing of refractory materials using various magnesium sources derived from Zinelbulak talc-magnesite

    NASA Astrophysics Data System (ADS)

    Hojamberdiev, Mirabbos; Arifov, Pulat; Tadjiev, Kamil; Xu, Yun-Hua

    2011-02-01

    Magnesia (MgO) is widely used in the production of refractory materials due to its high melting point, high thermal shock, and excellent slag resistance. The properties of refractory materials depend upon magnesia sources and processing parameters. In this work, three different magnesium sources, namely, magnesium hydroxide concentrate, magnesium carbonate concentrate, and intermediate flotation concentrate, were obtained from the Zinelbulak talc-magnesite, Uzbekistan, by causticization-hydration and flotation processes, respectively. A series of refractory materials were prepared on the basis of these magnesium sources, and their effects on physico-mechanical properties and microstructures were investigated as a function of sintering temperature, molding pressure, and the particle size of magnesium sources. The experimental results showed that a refractory material obtained from the magnesium hydroxide concentrate at 1600°C for 4 h demonstrated favorable parameters due mainly to a higher degree of contact among fine particles. The results obtained from X-ray diffraction and optical microscopy confirmed the presence of periclase and forsterite as the predominant phases in refractory specimens. The prepared refractory materials meet the requirements of the State Standards (Nos.4689-94 and 14832-96) for magnesia and forsterite refractories, respectively. It is, therefore, suggested herein that the use of different magnesium sources derived from the Zinelbulak talc-magnesite will offer the potential to provide economic benefits in the refractory industry.

  2. Radiation Chemistry

    NASA Astrophysics Data System (ADS)

    Wojnárovits, L.

    Ionizing radiation causes chemical changes in the molecules of the interacting medium. The initial molecules change to new molecules, resulting in changes of the physical, chemical, and eventually biological properties of the material. For instance, water decomposes to its elements H2 and O2. In polymers, degradation and crosslinking take place. In biopolymers, e.g., DNS strand breaks and other alterations occur. Such changes are to be avoided in some cases (radiation protection), however, in other cases they are used for technological purposes (radiation processing). This chapter introduces radiation chemistry by discussing the sources of ionizing radiation (radionuclide sources, machine sources), absorption of radiation energy, techniques used in radiation chemistry research, and methods of absorbed energy (absorbed dose) measurements. Radiation chemistry of different classes of inorganic (water and aqueous solutions, inorganic solids, ionic liquids (ILs)) and organic substances (hydrocarbons, halogenated compounds, polymers, and biomolecules) is discussed in concise form together with theoretical and experimental backgrounds. An essential part of the chapter is the introduction of radiation processing technologies in the fields of polymer chemistry, food processing, and sterilization. The application of radiation chemistry to nuclear technology and to protection of environment (flue gas treatment, wastewater treatment) is also discussed.

  3. A promising method to derive the temperature coefficients of material constants of SAW and BAW materials. first application to LGS.

    PubMed

    Nicolay, Pascal; Aubert, Thierry

    2014-08-01

    Langasite (LGS) is a promising material for SAW applications at high temperature. However, the temperature coefficients of LGS material constants are not accurate enough to perform reliable simulations, and therefore to make good use of available design tools, above 300°C. In the first part of the paper, we describe a new possible way to derive these coefficients in a wider temperature range. The method is based on Simulated Annealing, a well-known optimization algorithm. The algorithm converges toward a set of optimized temperature coefficients of the stiffness constants which are used to perform accurate simulations up to at least 800°C. In the second part, a deeper analysis of the algorithm outputs demonstrates some of its strengths but also some of its main limitations. Possible solutions are described to predict and then improve the accuracy of the optimized coefficient values. In particular, one solution making use of additional BAW target curves is tested. A promising solution to extend the optimization to the temperature coefficients of piezoelectric constants is also discussed.

  4. Derivation of uranium residual radioactive material guidelines for the Aliquippa Forge site

    SciTech Connect

    Monette, F.; Jones, L.; Yu, C.

    1992-09-01

    Residual radioactive material guidelines for uranium were derived for the Aliquippa Forge site in Aliquippa, Pennsylvania. This site has been identified for remedial action under the Formerly Utilized Sites Remedial Action Program (FUSRAP) of the US Department of Energy (DOE). The uranium guidelines were derived on the basis of the requirement that the 50-year committed effective dose equivalent to a hypothetical individual who lives or works in the immediate vicinity of the Aliquippa Forge site should not exceed a dose of 100 mrem/yr following decontamination. The DOE residual radioactive material guideline computer code, RESRAD, which implements the methodology described in the DOE manual for implementing residual radioactive material guidelines, was used in this evaluation. Four potential scenarios were considered for the site; the scenarios vary with regard to time spent at the site, sources of water used, and sources of food consumed. The results of the evaluation indicate that the basic dose limit of 100 mrem/yr will not be exceeded for uranium within 1,000 years, provided that the soil concentration of combined uranium (uranium-234, uranium-235, and uranium-238) at the Aliquippa Forge site does not exceed the following levels: 1,700 pCi/g for Scenario A (industrial worker: the expected scenario); 3,900 pCi/g for Scenario B (recreationist: a plausible scenario); 20 pCi/g for Scenario C (resident farmer using well water as the only water source: a possible but unlikely scenario), and 530 pCi/g for Scenario D (resident farmer using a distant water source not affected by site conditions as the only water source: a possible but unlikely scenario). The uranium guidelines derived in this report apply to the combined activity concentration of uranium-234, uranium-235, and uranium-238 and were calculated on the basis of a dose of 100 mrem/yr.

  5. Derivation of residual radioactive material guidelines for the Laboratory for Energy-Related Health Research site

    SciTech Connect

    Chapman, T.E.

    1993-11-01

    Residual radioactive material guidelines were derived for the Laboratory for Energy-Related Health Research (LEHR) Environmental Restoration (ER) site in Davis, California. The guideline derivation was based on a dose limit of 100 mrem/yr. The US Department of Energy (DOE) residual radioactive material guideline computer code was used in this evaluation. This code implements the methodology described in the DOE manual for implementing residual radioactive material guidelines. Three potential site utilization scenarios were considered with the assumption that following ER action, the site will be used without radiological restrictions. The defined scenarios vary with regard to use of the site, time spent at the site, and sources of food consumed. The results of the evaluation indicate that the basic dose limit of 100 mrem/yr will not be exceeded, provided that the soil concentrations of these radionuclides at the LEHR site do not exceed the scenario-specific values calculated by this study. Except for the extent of the contaminated zone (which is very conservative), assumptions used are as site-specific as possible, given available information. The derived guidelines are single- radionuclide guidelines and are linearly proportional to the dose limit used in the calculations. In setting the actual residual soil contamination guides for the LEHR site, DOE will apply the as low as reasonably achievable policy to the decision-making process, along with other factors such as whether a particular scenario is reasonable and appropriate, as well as using site-specific inputs to computer models based on data not yet fully determined.

  6. Derivation of uranium residual radioactive material guidelines for the Shpack site

    SciTech Connect

    Cheng, J.J.; Yu, C.; Monette, F.; Jones, L.

    1991-08-01

    Residual radioactive material guidelines for uranium were derived for the Shpack site in Norton, Massachusetts. This site has been identified for remedial action under the Formerly Utilized Sites Remedial Action Program (FUSRAP) of the US Department of Energy (DOE). The uranium guidelines were derived on the basis of the requirement that the 50-year committed effective dose equivalent to a hypothetical individual who lives or works in the immediate vicinity of the Shpack site should not exceed a dose of 100 mrem/yr following decontamination. The DOE residual radioactive material guideline computer code, RESRAD, which implements the methodology described in the DOE manual for implementing residual radioactive material guidelines, was used in this evaluation. Three potential scenarios were considered for the site; the scenarios vary with regard to time spent at the site, sources of water used, and sources of food consumed. The results of the evaluation indicate that the basic dose limit of 100 mrem/yr will not be exceeded for uranium (including uranium-234, uranium-235, and uranium-238) within 1000 years, provided that the soil concentration of combined uranium (uranium-234 and uranium-238) at the Shpack site does not exceed the following levels: 2500 pCi/g for Scenario A (recreationist: the expected scenario); 1100 pCi/g for Scenario B (industrial worker: a plausible scenario); and 53 pCi/g for Scenario C (resident farmer using a well water as the only water source: a possible but unlikely scenario). The uranium guidelines derived in this report apply to the combined activity concentration of uranium-234 and uranium-238 and were calculated on the basis of a dose of 100 mrem/yr. In setting the actual uranium guidelines for the Shpack site, DOE will apply the as low as reasonably achievable (ALARA) policy to the decision-making process, along with other factors, such as whether a particular scenario is reasonable and appropriate. 8 refs., 2 figs., 8 tabs.

  7. Preparations and characterizations of novel graphite-like materials and some high oxidation state fluorine chemistry

    SciTech Connect

    Shen, Ciping

    1992-11-01

    Novel graphite-like materials, BC{sub x} (6>x{ge}3), have been prepared using BCl{sub 3} and C{sub 6}H{sub 6} at 800--1000C, and C{sub x}N (14>x{ge}5) have been synthesized using C{sub 5}H{sub 5}N and Cl{sub 2} at 680C--986C. Bulk and thin film characterization were used to study the structure and bonding in these solids. C{sub 8}K(NH{sub 3}){sub 1.1} was prepared by reacting C{sub 8}K with gaseous NH{sub 3}. The carbon sub-lattice is hexagonal: a = 2.47 {Angstrom}, c = 6.47 {Angstrom}. The smaller a parameter and lower conductivity are attributed to smaller electron transfer from K to the conduction band solvation of K by NH{sub 3}. A simplified liquid phase method for synthesizing Li-graphite intercalation compounds has been developed; synthesis of a lamellar mixed conductor, C{sub x}{sup +}Li{sub 2}N{sup {minus}}, has been attempted. Stability and conductivity of (BN){sub 3}SO{sub 3}F have been studied; it was shown to be metallic with a specific conductivity of 1.5 S{center_dot}cm{sup {minus}1}. Its low conductivity is attributed to the low mobility of holes in BN sheets.

  8. Common prescriptions for psychology derived from dialectical materialism and chaos theory.

    PubMed

    Gilgen, A R

    2000-04-01

    During the entire Soviet period (1917-1991), Russian psychologists labored to create a psychology which would be consonant with Marxist-Leninist assumptions derived from dialectical materialism. Some of their early prescriptions, in particular those put forward by Konstantin N. Kornilov in the 1920s and early 1930s, are identical to strategies being advanced by contemporary American psychologists who propose that chaos theory and nonlinear meta-modeling techniques in general, given advances in computer and television technologies, can be designed for research capable of dealing with the complexities, nonlinearities, self-organizational processes, and abrupt transformations characteristic of human psychological functioning.

  9. Common prescriptions for psychology derived from dialectical materialism and chaos theory.

    PubMed

    Gilgen, A R

    2000-04-01

    During the entire Soviet period (1917-1991), Russian psychologists labored to create a psychology which would be consonant with Marxist-Leninist assumptions derived from dialectical materialism. Some of their early prescriptions, in particular those put forward by Konstantin N. Kornilov in the 1920s and early 1930s, are identical to strategies being advanced by contemporary American psychologists who propose that chaos theory and nonlinear meta-modeling techniques in general, given advances in computer and television technologies, can be designed for research capable of dealing with the complexities, nonlinearities, self-organizational processes, and abrupt transformations characteristic of human psychological functioning. PMID:10840901

  10. Surface Chemistry and Precursor Material Effects on the Performance of Pyrolyzed Nanofibers as Anodes for Lithium-ion Batteries

    NASA Astrophysics Data System (ADS)

    Loebl, Andrew James

    Next-generation lithium-ion batteries to meet consumer demands and new applications require the development of new electrode materials. Electrospinning of polymers is a simple and effective method to create one-dimensional, self-supporting materials, with no inactive components after pyrolysis. Composites of these nanofibers and high-capacity lithium materials have been demonstrated to possess superior reversible capacity than state-of-the-art commercial anodes. Despite impressive reversible discharge capacities polyacrylonitrile-based composites are not ready for adoption in commercial applications. These materials suffer from irreversible losses of Li to formation on the electrode of the solid electrolyte interphase during the first charge of the cell. This thesis work has taken two approaches to engineer high-performing nanofiber-based electrodes. First, the chemistry at the interface of the electrode and the electrolyte has been changed by depositing new surfaces. Attempts to create a graphitic fiber surface via plasma enhanced chemical vapor deposition did not result in an improvement of the irreversible losses. However, the experiments did demonstrate the growth of large surface area carbon nanowalls on the pyrolyzed electrospun fibers, creating a material which could serve as a substrate in catalysis or as an electrode for composite ultra-capacitors. Additionally, passivation surfaces were deposited by atomic layer deposition and molecular layer deposition. These new surfaces were employed to reduce the irreversible consumption of lithium by moving the charge transfer reaction to the interface of the carbon and the new material. The removal the lithium from the solvent prior to charge transfer limits the irreversible reduction of solvent by metallic lithium. Alumina films grown by atomic layer deposition reduced lithium losses to the solid electrolyte interphase by up to 42% for twenty deposition cycles. This large improvement in irreversible capacity

  11. Hydrogen and related materials at high density: Physics, chemistry and planetary implications

    NASA Technical Reports Server (NTRS)

    Hemley, R. J.; Mao, H. K.; Duffy, T. S.; Goncharov, A.; Vos, W.; Zha, C. S.; Eggert, J. H.; Li, M.; Hanfland, M.

    1994-01-01

    Recent studies of low-Z molecular materials including hydrogen to multimegabar pressures (less than 300 GPa) have uncovered a range of phenomena relevant to understanding the nature of the interiors of the outer planets and their satellites. Synchrotron x ray diffraction measurements (to 42 GPa) have been used to determine the crystal structure of the solid (hexagonal-close packed) and equation of state. Sound velocities in fluid and solid hydrogen (to 24 GPa) have been inverted to obtain elastic constants and aggregate bulk and shear moduli. In addition, an improved intermolecular potential has been determined which fits both static and shock-wave data. Use of the new potential for the molecular envelope of Jupiter suggests the need for major revisions of existing Jovian models or a reanalysis of reported free oscillations for the planet. Studies at higher pressures (greater than 100 GPa) reveal a sequence of pressure-induced symmetry-breaking transitions in molecular hydrogen, giving rise to three high-pressure phases (1, 2, and 3). Phase 1 is the rotationally disordered hcp phase which persists from low pressure to well above 100 GPa at high temperature (e.g., 300 K). Phase 2 is a low-temperature, high-pressure phase (transition at 100 GPa and 77 K in H2) with spectral features indicative of partial rotational ordering and crystallographic distortion. The transition to Phase 3 at 150 GPa is accompanied by a weakening of the molecular bond, gradual changes in orientational ordering, strong enhancement of the infrared intramolecular vibrational absorption, and strong intermolecular interactions similar to those of ambient-pressure network solids. Studies of the phase diagram reveal a triple point near 130 K and 160 GPa. Higher pressure measurements of vibrational spectra place a lower bound of approximately 250 GPa on the predicted transition pressure for dissociation of molecular hydrogen to form a monatomic metal.

  12. Radiological Modeling for Determination of Derived Concentration Levels of an Area with Uranium Residual Material - 13533

    SciTech Connect

    Perez-Sanchez, Danyl

    2013-07-01

    As a result of a pilot project developed at the old Spanish 'Junta de Energia Nuclear' to extract uranium from ores, tailings materials were generated. Most of these residual materials were sent back to different uranium mines, but a small amount of it was mixed with conventional building materials and deposited near the old plant until the surrounding ground was flattened. The affected land is included in an area under institutional control and used as recreational area. At the time of processing, uranium isotopes were separated but other radionuclides of the uranium decay series as Th-230, Ra-226 and daughters remain in the residue. Recently, the analyses of samples taken at different ground's depths confirmed their presence. This paper presents the methodology used to calculate the derived concentration level to ensure that the reference dose level of 0.1 mSv y-1 used as radiological criteria. In this study, a radiological impact assessment was performed modeling the area as recreational scenario. The modelization study was carried out with the code RESRAD considering as exposure pathways, external irradiation, inadvertent ingestion of soil, inhalation of resuspended particles, and inhalation of radon (Rn-222). As result was concluded that, if the concentration of Ra-226 in the first 15 cm of soil is lower than, 0.34 Bq g{sup -1}, the dose would not exceed the reference dose. Applying this value as a derived concentration level and comparing with the results of measurements on the ground, some areas with a concentration of activity slightly higher than latter were found. In these zones the remediation proposal has been to cover with a layer of 15 cm of clean material. This action represents a reduction of 85% of the dose and ensures compliance with the reference dose. (authors)

  13. Fluorescent carbon nanoparticles derived from natural materials of mango fruit for bio-imaging probes

    NASA Astrophysics Data System (ADS)

    Jeong, Chan Jin; Roy, Arup Kumer; Kim, Sung Han; Lee, Jung-Eun; Jeong, Ji Hoon; Insik; Park, Sung Young

    2014-11-01

    Water soluble fluorescent carbon nanoparticles (FCP) obtained from a single natural source, mango fruit, were developed as unique materials for non-toxic bio-imaging with different colors and particle sizes. The prepared FCPs showed blue (FCP-B), green (FCP-G) and yellow (FCP-Y) fluorescence, derived by the controlled carbonization method. The FCPs demonstrated hydrodynamic diameters of 5-15 nm, holding great promise for clinical applications. The biocompatible FCPs demonstrated great potential in biological fields through the results of in vitro imaging and in vivo biodistribution. Using intravenously administered FCPs with different colored particles, we precisely defined the clearance and biodistribution, showing rapid and efficient urinary excretion for safe elimination from the body. These findings therefore suggest the promising possibility of using natural sources for producing fluorescent materials.Water soluble fluorescent carbon nanoparticles (FCP) obtained from a single natural source, mango fruit, were developed as unique materials for non-toxic bio-imaging with different colors and particle sizes. The prepared FCPs showed blue (FCP-B), green (FCP-G) and yellow (FCP-Y) fluorescence, derived by the controlled carbonization method. The FCPs demonstrated hydrodynamic diameters of 5-15 nm, holding great promise for clinical applications. The biocompatible FCPs demonstrated great potential in biological fields through the results of in vitro imaging and in vivo biodistribution. Using intravenously administered FCPs with different colored particles, we precisely defined the clearance and biodistribution, showing rapid and efficient urinary excretion for safe elimination from the body. These findings therefore suggest the promising possibility of using natural sources for producing fluorescent materials. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr04805a

  14. Investigation of IAQ-Relevant Surface Chemistry and Emissions on HVAC Filter Materials

    SciTech Connect

    Destaillats, Hugo; Fisk, William J.

    2010-02-01

    Chemical reactions involving ozone of outdoor origin and indoor materials are known to be significant sources of formaldehyde and other irritant gas-phase oxidation products in the indoor environment. HVAC filters are exposed to particularly high ozone concentrations--close to outdoor levels. In this study, we investigated chemical processes taking place on the surface of filters that included fiberglass, polyester, cotton/polyester blend and synthetic (e.g., polyolefin) filter media. Ozone reactions were studied on unused filter media, and on filters that were deployed for 3 months in two different locations: at the Lawrence Berkeley National Laboratory and at the Port of Oakland. Specimens from each filter were exposed to ozone under controlled conditions in a laboratory flow tube at a constant flow of dry or humidified air (50percent relative humidity). Ozone was generated with a UV source upstream of the flow tube, and monitored using a photometric detector. Ozone breakthrough curves were recorded for each sample exposed to ~;;150 ppbv O3 for periods of ~;;1000 min, from which we estimated their uptake rate. Most experiments were performed at 1.3 L/min (corresponding to a face velocity of 0.013 m/s), except for a few tests performed at a higher airflow rate, to obtain a face velocity of 0.093 m/s, slightly closer to HVAC operation conditions. Formaldehyde and acetaldehyde, two oxidation byproducts, were collected downstream of the filter and quantified. Emissions of these volatile aldehydes were consistently higher under humidified air than under dry conditions, at which levels were near the limit of detection. Our results confirm that there are significant reactions of ozone as air containing ozone flows through HVAC filters, particularly when the filters are loaded with particles and the air is humidified. The amount of ozone reacted was not clearly related to the types of filter media, e.g., fiberglass versus synthetic. Specific fiberglass filters that were

  15. Derivation of Accident-Specific Material-at-Risk Equivalency Factors

    SciTech Connect

    Jason P. Andrus; Dr. Chad L. Pope

    2012-05-01

    A novel method for calculating material at risk (MAR) dose equivalency developed at the Idaho National Laboratory (INL) now allows for increased utilization of dose equivalency for facility MAR control. This method involves near-real time accounting for the use of accident and material specific release and transport. It utilizes all information from the committed effective dose equation and the five factor source term equation to derive dose equivalency factors which can be used to establish an overall facility or process MAR limit. The equivalency factors allow different nuclide spectrums to be compared for their respective dose consequences by relating them to a specific quantity of an identified reference nuclide. The ability to compare spectrums to a reference limit ensures that MAR limits are in fact bounding instead of attempting to establish a representative or bounding spectrum which may lead to unintended or unanalyzed configurations. This methodology is then coupled with a near real time material tracking system which allows for accurate and timely material composition information and corresponding MAR equivalency values. The development of this approach was driven by the complex nature of processing operations in some INL facilities. This type of approach is ideally suited for facilities and processes where the composition of the MAR and possible release mechanisms change frequently but in well defined fashions and in a batch-type nature.

  16. New spiro[benzotetraphene-fluorene] derivatives: synthesis and application in sky-blue fluorescent host materials.

    PubMed

    Cha, Jae-Ryung; Lee, Chil-Won; Gong, Myoung-Seon

    2014-07-01

    Blue light-emitting spiro[benzotetraphene-fluorene] (SBTF)-based host materials, 3-(1-naphthyl)-10-naphthylspiro[benzo[ij]tetraphene-7,9'-fluorene] (1), 3-(2-naphthyl)-10-naphthylspiro[benzo[ij]tetraphene-7,9'-fluorene] (2), and 3-[2-(6-phenyl)naphthyl]-10-naphthylspiro[benzo[ij]tetraphene-7,9'-fluorene] (3) were designed and prepared via multi-step Suzuki coupling reactions. Introducing various aromatic groups into SBTF core lead to a reduction in band gap and a determination of the color purity and luminescence efficiency. Typical sky-blue fluorescent organic light emitting diodes with the configuration of ITO/N,N'-di(1-naphthyl)-N,N'-bis[(4-diphenylamino)phenyl]-biphenyl-4,4'-diamie (60 nm)/N,N,N',N'-tetra(1-biphenyl)-biphenyl-4,4'-diamine (30 nm)/host: dopant (30 nm, 5%)/LG201 (electron transporting layer, 20 nm)/LiF/Al were developed using SBTF derivatives as a host material and p-bis(p-N,N-diphenyl-aminostyryl)benzene (DSA-Ph) as a sky-blue dopant material. A device obtained from three materials doped with DSA-Ph showed color purity of 0.148 and 0.239, a luminance efficiency of 7.91 cd/A, and an external quantum efficiency >4.75% at 5 V. PMID:24859632

  17. Design and Evaluation of Digital Learning Material to Support Acquisition of Quantitative Problem-Solving Skills within Food Chemistry

    ERIC Educational Resources Information Center

    Diederen, Julia; Gruppen, Harry; Hartog, Rob; Voragen, Alphons G. J.

    2005-01-01

    One of the modules in the course Food Chemistry at Wageningen University (Wageningen, The Netherlands) focuses on quantitative problem-solving skills related to chemical reactions. The intended learning outcomes of this module are firstly, to be able to translate practical food chemistry related problems into mathematical equations and to solve…

  18. Insights into the crystal chemistry of Earth materials rendered by electron density distributions: Pauling's rules revisited

    SciTech Connect

    Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.; Rosso, Kevin M.

    2014-05-20

    number of the atom is determined uniquely independent of the asphericity and sizes of the atom. A power law connection established between the bond lengths and bond strengths for crystals and molecules is mirrored by a comparable power law connection between bond length and the accumulation of the electron density between bonded pairs of atoms, a connection that is consistent with Pauling's electroneutrality postulate that the charges of the atoms in an oxide are negligibly small. The connection indicates that a one-to-one correspondence exists between the accumulation between a pair of bonded atoms and the Pauling bond strength for M-O bonded interaction for all atoms of the periodic table. The connection provides a common basis for understanding the success of the manifold applications that have been made with the bond valence theory model together with the modeling of crystal structures, chemical zoning, leaching and cation transport in batteries and the like. We believe that the wide spread applications of the model in mineralogy and material science owes much of its success to the direct connection between bond strength and the quantum mechanical observable, the electron density distribution. Comparable power law expressions established for the bonded interactions for both crystals and molecules support Pauling's assertion that his second rule has significance for molecules as well as for crystals. A simple expression is found that provides a one to one connection between the accumulation of the electron density between bonded M and O atoms and the Pauling bond strength for all M atoms of the periodic table with ~ 95 % of the variation of the bond strength being explained in terms of a linear dependence on the accumulated electron density. Compelling evidence is presented that supports the argument that the Si-O bonded interactions for tiny siloxane molecules and silicate crystals are chemically equivalent.

  19. Computational and Experimental Assessment of Benzene Cation Chemistry for the Measurement of Marine Derived Biogenic Volatile Organic Compounds with Chemical Ionization Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Zoerb, M.; Kim, M.; Zimmermann, K.; Bertram, T. H.

    2013-12-01

    Chemical ionization mass spectrometry (CIMS) is a highly selective and sensitive technique for the measurement of trace gases in the atmosphere. However, competing side reactions and dependence on relative humidity (RH) can make the transition from the laboratory to the field challenging. Effective implementation of chemical ionization requires a thorough knowledge of the elementary steps leading to ionization of the analyte. We have recently investigated benzene cations for the detection of marine derived biogenic volatile organic compounds (BVOCs), such isoprene and terpene compounds, from algal bloom events. Our experimental results indicate that benzene ion chemistry is an attractive candidate for field measurements, and the RH dependence is weak. To further understand the advantages and limitations of this approach, we have also used electronic structure theory calculations to compliment the experimental work. These theoretical methods can provide valuable insight into the physical chemistry of ion molecule reactions including thermodynamical information, the stability of ions to fragmentation, and potential sources of interference such as dehydration to form isobaric ions. The combined experimental and computational approach also allows validation of the theoretical methods and will provide useful information towards gaining predictive power for the selection of appropriate reagent ions for future experiments.

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

    PubMed

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

    2015-09-01

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

  1. Material derivatives of boundary integral operators in electromagnetism and application to inverse scattering problems

    NASA Astrophysics Data System (ADS)

    Ivanyshyn Yaman, Olha; Le Louër, Frédérique

    2016-09-01

    This paper deals with the material derivative analysis of the boundary integral operators arising from the scattering theory of time-harmonic electromagnetic waves and its application to inverse problems. We present new results using the Piola transform of the boundary parametrisation to transport the integral operators on a fixed reference boundary. The transported integral operators are infinitely differentiable with respect to the parametrisations and simplified expressions of the material derivatives are obtained. Using these results, we extend a nonlinear integral equations approach developed for solving acoustic inverse obstacle scattering problems to electromagnetism. The inverse problem is formulated as a pair of nonlinear and ill-posed integral equations for the unknown boundary representing the boundary condition and the measurements, for which the iteratively regularized Gauss-Newton method can be applied. The algorithm has the interesting feature that it avoids the numerous numerical solution of boundary value problems at each iteration step. Numerical experiments are presented in the special case of star-shaped obstacles.

  2. Multilayer Films Assembled from Naturally-Derived Materials for Controlled Protein Release

    PubMed Central

    Hsu, Bryan B.; Hagerman, Samantha R; Jamieson, Kelsey; Veselinovic, Jovana; O’Neill, Nicholas; Holler, Eggehard; Ljubimova, Julia Y.; Hammond, Paula T.

    2014-01-01

    Herein we designed and characterized films composed of naturally derived materials for controlled release of proteins. Traditional drug delivery strategies rely on synthetic or semi-synthetic materials, or utilize potentially denaturing assembly conditions that are not optimal for sensitive biologics. Layer-by-Layer (LbL) assembly of films uses benign conditions and can generate films with various release mechanisms including hydrolysis-facilitated degradation. These use components such as synthetic polycations that degrade into non-natural products. Herein we report the use of a naturally-derived, biocompatible and degradable polyanion, poly(β-l-malic acid), alone and in combination with chitosan in an LbL film, whose degradation products of malic acid and chitosan are both generally recognized as safe (GRAS) by the FDA. We have found that films based on this polyanion have shown sustained release of a model protein, lysozyme that can be timed from tens of minutes to multiple days through different film architectures. We also report the incorporation and release of a clinically used biologic, basic fibroblast growth factor (bFGF), which demonstrates the use of this strategy as a platform for controlled release of various biologics. PMID:24825478

  3. Incorporation of New Benzofulvene Derivatives Into Polymers to Give New NLO Materials

    NASA Technical Reports Server (NTRS)

    Bowens, Andrea D.; Bu, Xiu; Mintz, Eric A.; Zhang, Yue

    1996-01-01

    The need for fast electro-optic switches and modulators for optical communication, and laser frequency conversion has created a demand for new second-order non-linear optical materials. One approach to produce such materials is to align chromophores with large molecular hyperpolarizabilities in polymers. Recently fulvenes and benzofulvenes which contain electron donating groups have been shown to exhibit large second-order non-linear optical properties. The resonance structures shown below suggest that intramolecular charge transfer (ICT) should be favorable in omega - (hydroxyphenyl)benzofulvenes and even more favorable in omega-omega - (phenoxy)benzofulvenes because of the enhanced donor properties of the O group. This ICT should lead to enormously enhanced second-order hyperpolarizability. We have prepared all three new omega - (hydroxyphenyl)benzofulvenes by the condensation of indene with the appropriate hydroxyaryl aldehyde in MeOH or MeOH/H2O under base catalysis. In a similar fashion we have prepared substituted benzofulvenes with multipal donor groups. Preliminary studies show that some of our benzofulvene derivatives exhibit second order harmonic generation (SHG). Measurements were carried out by preparing host-guest polymers. The results of our work on benzofulvene derivatives in host-guest polymers when covalently bonded in the polymer will be described.

  4. Physicochemical and solvatochromic analysis of an imidazole derivative as NLO material.

    PubMed

    Jayabharathi, Jayaraman; Thanikachalam, Venugopal; Perumal, Marimuthu Venkatesh

    2012-01-01

    Bioactive imidazole derivative, 2-(2,4-difluorophenyl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline, has been synthesized and characterized by IR, UV-vis, NMR and elemental (CHN) analysis. The electric dipole moment (μ) and the hyperpolarizability (β) have been studied both experimentally and theoretically, which reveals that the synthesized imidazole derivative possesses non-linear optical (NLO) behavior. This chromophore possess more appropriate ratio of off-diagonal versus diagonal β tensorial component (r=β(xyy)/β(xxx)=-0.19) which reflects the in plane nonlinearity anisotropy. Since they have largest μβ(0) value, the reported imidazole can be used as potential NLO material. Within this context, reasonable conclusions concerning the steric hindrance in the chromospheres, push-pull character, hyperpolarizability of the imidazole and their application as NLO materials will be drawn. The solvent effect on the absorption and fluorescence bands was analyzed by a multi-component linear regression in which several solvent parameters were analyzed simultaneously.

  5. An approach to determining the economic feasibility of refuse-derived fuel and materials recovery processing

    NASA Astrophysics Data System (ADS)

    Gershman, H. W.

    1980-06-01

    An approach for determining the economic feasibility of refuse-derived fuel production and the recovery of materials is presented. This information is based on data developed for the metropolitan Washington, D.C. area as input for the consideration of a regional resource recovery program which would eventually encompass 4000 t/day of municipal solid waste; it is designed to recover refuse-derived fuel (RDF), ferrous and nonferrous metals, flint and color-mixed glass cullet, color-mixed glass fines, and waste newspapers. The planning process requires estimates of recovery product revenues and of process feasibility; since materials revenues can be predicted with a greater degree of certainty than RDF revenues, it becomes necessary to determine what revenues will be required from the sale of RDF so that predicted economics can be the same as the alternative disposal practice. A technique is described which will assist the decisionmaker in evaluating the economic feasibility of the proposed project by determining the RDF 'Indifference Value'.

  6. Structure and evaluation of antibacterial and antitubercular properties of new basic and heterocyclic 3-formylrifamycin SV derivatives obtained via 'click chemistry' approach.

    PubMed

    Pyta, Krystian; Klich, Katarzyna; Domagalska, Joanna; Przybylski, Piotr

    2014-09-12

    Thirty four novel derivatives of 3-formylrifamycin SV were synthesized via reductive alkylation and copper(I)-catalysed azide-alkyne cycloaddition. According to the obtained results, 'click chemistry' can be successfully applied for modification of structurally complex antibiotics such as rifamycins, with the formation of desired 1,2,3-triazole products. However, when azide-alkyne cycloaddition on 3-formylrifamycin SV derivatives demanded higher amount of catalyst, lower temperature and longer reaction time because of the high volatility of substrates, an unexpected intramolecular condensation with the formation of 3,4-dihydrobenzo[g]quinazoline heterocyclic system took place. Structures of new derivatives in solution were determined using one- and two-dimensional NMR methods and FT-IR spectroscopy. Computational DFT and PM6 methods were employed to correlate their conformation and acid-base properties to biological activity and establish SAR of the novel compounds. Microbiological, physico-chemical (logP, solubility) and structural studies of newly synthesised rifamycins indicated that for the presence of relatively high antibacterial (MIC ~0.01 nmol/mL) and antitubercular (MIC ~0.006 nmol/mL) activities, a rigid and basic substituent at C(3) arm, containing a protonated nitrogen atom "open" toward intermolecular interactions, is required.

  7. Host-Guest Chemistry between Perylene Diimide (PDI) Derivatives and 18-Crown-6: Enhancement in Luminescence Quantum Yield and Electrical Conductivity.

    PubMed

    Lasitha, P; Prasad, Edamana

    2016-07-18

    Perylene diimide (PDI) derivatives exhibit a high propensity for aggregation, which causes the aggregation-induced quenching of emission from the system. Host-guest chemistry is one of the best-known methods for preventing aggregation through the encapsulation of guest molecules. Herein we report the use of 18-crown-6 (18-C-6) as a host system to disaggregate suitably substituted PDI derivatives in methanol. 18-C-6 formed complexes with amino-substituted PDIs in methanol, which led to disaggregation and enhanced emission from the systems. Furthermore, the embedding of the PDI⋅18-C-6 complexes in poly(vinyl alcohol) (PVA) films generated remarkably high emission quantum yields (60-70 %) from the PDI derivatives. More importantly, the host-guest systems were tested for their ability to conduct electricity in PVA films. The electrical conductivities of the self-assembled systems in PVA were measured by electrochemical impedance spectroscopy (EIS) and the highest conductivity observed was 2.42×10(-5)  S cm(-1) .

  8. Organic reactions for the electrochemical and photochemical production of chemical fuels from CO2--The reduction chemistry of carboxylic acids and derivatives as bent CO2 surrogates.

    PubMed

    Luca, Oana R; Fenwick, Aidan Q

    2015-11-01

    The present review covers organic transformations involved in the reduction of CO2 to chemical fuels. In particular, we focus on reactions of CO2 with organic molecules to yield carboxylic acid derivatives as a first step in CO2 reduction reaction sequences. These biomimetic initial steps create opportunities for tandem electrochemical/chemical reductions. We draw parallels between long-standing knowledge of CO2 reactivity from organic chemistry, organocatalysis, surface science and electrocatalysis. We point out some possible non-faradaic chemical reactions that may contribute to product distributions in the production of solar fuels from CO2. These reactions may be accelerated by thermal effects such as resistive heating and illumination.

  9. Sorption of mercury onto waste material derived low-cost activated carbon

    NASA Astrophysics Data System (ADS)

    Bhakta, Jatindra N.; Rana, Sukanta; Lahiri, Susmita; Munekage, Yukihiro

    2014-11-01

    The present study was performed to develop the low-cost activated carbon (AC) from some waste materials as potential mercury (Hg) sorbent to remove high amount of Hg from aqueous phase. The ACs were prepared from banana peel, orange peel, cotton fiber and paper wastes by pyrolysis and characterized by analyzing physico-chemical properties and Hg sorption capacity. The Brunauer Emmett and Teller surface areas (cotton 138 m2/g; paper 119 m2/g), micropore surface areas (cotton 65 m2/g; paper 54 m2/g) and major constituent carbon contents (cotton 95.04 %; paper 94.4 %) were higher in ACs of cotton fiber and paper wastes than the rest two ACs. The Hg sorption capacities and removal percentages were greater in cotton and paper wastes-derived ACs compared to those of the banana and orange peels. The results revealed that elevated Hg removal ability of cotton and paper wastes-derived ACs is largely regulated by their surface area, porosity and carbon content properties. Therefore, ACs of cotton and paper wastes were identified as potential sorbent among four developed ACs to remove high amount of Hg from aqueous phase. Furthermore, easily accessible precursor material, simple preparation process, favorable physico-chemical properties and high Hg sorption capacity indicated that cotton and paper wastes-derived ACs could be used as potential and low-cost sorbents of Hg for applying in practical field to control the severe effect of Hg contamination in the aquatic environment to avoid its human and environmental health risks.

  10. Nitro Derivatives of 1,3,5-Triazepine as Potential High-Energy Materials

    NASA Astrophysics Data System (ADS)

    Singh, Hari Ji; Upadhyay, Manish Kumar

    2013-10-01

    Structure optimization and frequency calculation of six nitro derivatives of 1,3,5-triazepine were performed using a MP2(FULL)/6-311G(d,p) method. In order to obtain reliable energy data, single-point energy and subsequently thermodynamic properties of the species considered were calculated at a fairly high level of theory, CCSD(T)/6-311G(d,p). Solid-phase heats of formation and crystal density were determined using an electrostatic potential (ESP) method utilizing wave function analysis-surface analysis suite (WFA-SAS) code. The result shows that all nitro derivatives possess high positive heats of formation that increase with an increase in the number of nitro groups attached to the ring moiety. The crystal density was found to be in the range of 1.67-1.90 g/cm3. Detonation properties of the compounds were estimated using the Kamlet-Jacobs equation. The results showed that detonation velocity (D) and detonation pressure (P) increased with an increase in the number of nitro groups attached at the ring moiety. It was found that all six nitro derivatives of the title compound had better or comparable performance characteristics than the most widely used commercial explosives, such as TNT, research and development explosives (RDX), and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX). The trinitro derivative (1,3,5-trinitro-1,3,5-triazepine, F) yielded detonation pressure (P) and detonation velocity (D) of 45.5 GPa and 9.23 km/s, respectively, at a loading density of 1.90 g/cm3, which are superior to the most powerful available explosive HMX (P = 39.00 GPa and D = 9.11 km/s). The results obtained during the present study show that the title compounds can be used as promising futuristic high-energy-density materials (HEDMs).

  11. Novel triazolyl berberine derivatives prepared via CuAAC click chemistry: synthesis, anticancer activity and structure-activity relationships.

    PubMed

    Jin, Xin; Yan, Lan; Li, Hong-jiao; Wang, Rui-Lian; Hu, Zhen-Lin; Jiang, Yuan-Ying; Cao, Yong-Bing; Yan, Tian-Hua; Sun, Qing-Yan

    2015-01-01

    To search for novel anticancer agents, we designed and synthesized a series of new triazolyl berberine derivatives. The evaluation of all the synthesized compounds and their anticancer activities against a panel of four human cancer cell lines including MCF-7 (breast), MCF-7/ADR (breast), SW-1990 (pancreatic), SMMC-7721 (liver) and the noncancer cell line HUVEC (human umbilical vein endothelial cell). The results showed that most of the compounds displayed better anticancer activities against MCF-7 and SMMC-7721 compared with berberine. Among these derivatives, compounds 5p and 5a exhibited the most potent inhibitory activities against the SMMC-7721 and SW-1990 cell lines with IC50 values of 14.861 ± 2.4 µM and 16.798 ± 3.4 µM. Furthermore, compounds 5p, 5a and 5n exhibited much better selectivity toward the normal cell line HUVEC than berberine.

  12. PAF-derived nitrogen-doped 3D Carbon Materials for Efficient Energy Conversion and Storage.

    PubMed

    Xiang, Zhonghua; Wang, Dan; Xue, Yuhua; Dai, Liming; Chen, Jian-Feng; Cao, Dapeng

    2015-01-01

    Owing to the shortage of the traditional fossil fuels caused by fast consumption, it is an urgent task to develop the renewable and clean energy sources. Thus, advanced technologies for both energy conversion (e.g., solar cells and fuel cells) and storage (e.g., supercapacitors and batteries) are being studied extensively. In this work, we use porous aromatic framework (PAF) as precursor to produce nitrogen-doped 3D carbon materials, i.e., N-PAF-Carbon, by exposing NH3 media. The "graphitic" and "pyridinic" N species, large surface area, and similar pore size as electrolyte ions endow the nitrogen-doped PAF-Carbon with outstanding electronic performance. Our results suggest the N-doping enhance not only the ORR electronic catalysis but also the supercapacitive performance. Actually, the N-PAF-Carbon obtains ~70 mV half-wave potential enhancement and 80% increase as to the limiting current after N doping. Moreover, the N-PAF-Carbon displays free from the CO and methanol crossover effect and better long-term durability compared with the commercial Pt/C benchmark. Moreover, N-PAF-Carbon also possesses large capacitance (385 F g(-1)) and excellent performance stability without any loss in capacitance after 9000 charge-discharge cycles. These results clearly suggest that PAF-derived N-doped carbon material is promising metal-free ORR catalyst for fuel cells and capacitor electrode materials.

  13. PAF-derived nitrogen-doped 3D Carbon Materials for Efficient Energy Conversion and Storage.

    PubMed

    Xiang, Zhonghua; Wang, Dan; Xue, Yuhua; Dai, Liming; Chen, Jian-Feng; Cao, Dapeng

    2015-01-01

    Owing to the shortage of the traditional fossil fuels caused by fast consumption, it is an urgent task to develop the renewable and clean energy sources. Thus, advanced technologies for both energy conversion (e.g., solar cells and fuel cells) and storage (e.g., supercapacitors and batteries) are being studied extensively. In this work, we use porous aromatic framework (PAF) as precursor to produce nitrogen-doped 3D carbon materials, i.e., N-PAF-Carbon, by exposing NH3 media. The "graphitic" and "pyridinic" N species, large surface area, and similar pore size as electrolyte ions endow the nitrogen-doped PAF-Carbon with outstanding electronic performance. Our results suggest the N-doping enhance not only the ORR electronic catalysis but also the supercapacitive performance. Actually, the N-PAF-Carbon obtains ~70 mV half-wave potential enhancement and 80% increase as to the limiting current after N doping. Moreover, the N-PAF-Carbon displays free from the CO and methanol crossover effect and better long-term durability compared with the commercial Pt/C benchmark. Moreover, N-PAF-Carbon also possesses large capacitance (385 F g(-1)) and excellent performance stability without any loss in capacitance after 9000 charge-discharge cycles. These results clearly suggest that PAF-derived N-doped carbon material is promising metal-free ORR catalyst for fuel cells and capacitor electrode materials. PMID:26045229

  14. Nomex-derived activated carbon fibers as electrode materials in carbon based supercapacitors

    NASA Astrophysics Data System (ADS)

    Leitner, K.; Lerf, A.; Winter, M.; Besenhard, J. O.; Villar-Rodil, S.; Suárez-García, F.; Martínez-Alonso, A.; Tascón, J. M. D.

    Electrochemical characterization has been carried out for electrodes prepared of several activated carbon fiber samples derived from poly (m-phenylene isophthalamide) (Nomex) in an aqueous solution. Depending on the burn-off due to activation the BET surface area of the carbons was in the order of 1300-2800 m 2 g -1, providing an extensive network of micropores. Their capability as active material for supercapacitors was evaluated by using cyclic voltammetry and impedance spectroscopy. Values for the capacitance of 175 F g -1 in sulfuric acid were obtained. Further on, it was observed that the specific capacitance and the performance of the electrode increase significantly with increasing burn-off degree. We believe that this fact can be attributed to the increase of surface area and porosity with increasing burn-off.

  15. The effects of surface chemistry of mesoporous silica materials and solution pH on kinetics of molsidomine adsorption

    SciTech Connect

    Dolinina, E.S.; Parfenyuk, E.V.

    2014-01-15

    Adsorption kinetics of molsidomine on mesoporous silica material (UMS), the phenyl- (PhMS) and mercaptopropyl-functionalized (MMS) derivatives from solution with different pH and 298 K was studied. The adsorption kinetics was found to follow the pseudo-second-order kinetic model for all studied silica materials and pH. Effects of surface functional groups and pH on adsorption efficiency and kinetic adsorption parameters were investigated. At all studied pH, the highest molsidomine amount is adsorbed on PhMS due to π–π interactions and hydrogen bonding between surface groups of PhMS and molsidomine molecules. An increase of pH results in a decrease of the amounts of adsorbed molsidomine onto the silica materials. Furthermore, the highest adsorption rate kinetically evaluated using a pseudo-second-order model, is observed onto UMS and it strongly depends on pH. The mechanism of the adsorption process was determined from the intraparticle diffusion and Boyd kinetic film–diffusion models. The results showed that the molsidomine adsorption on the silica materials is controlled by film diffusion. Effect of pH on the diffusion parameters is discussed. - Graphical abstract: The kinetic study showed that the k{sub 2} value, the rate constant of pseudo-second order kinetic model, is the highest for molsidomine adsorption on UMS and strongly depends on pH because it is determined by availability and accessibility of the reaction sites of the adsorbents molsidomine binding. Display Omitted - Highlights: • The adsorption capacities of UMS, PhMS and MMS were dependent on the pH. • At all studied pH, the highest molsidomine amount is adsorbed on PhMS. • The highest adsorption rate, k{sub 2}, is observed onto UMS and strongly depends on pH. • Film diffusion was the likely rate-limiting step in the adsorption process.

  16. Electrochemical sensing and biosensing platform based on biomass-derived macroporous carbon materials.

    PubMed

    Wang, Li; Zhang, Qinying; Chen, Shuiliang; Xu, Fugang; Chen, Shouhui; Jia, Jianbo; Tan, Hongliang; Hou, Haoqing; Song, Yonghai

    2014-02-01

    A three-dimensional (3D) macroporous carbon (3D-KSCs) derived from kenaf stem (KS) is proposed as a novel supporting material for electrochemical sensing and a biosensing platform. A series of 3D-KSCs/inorganic nanocomposites such as Prussian blue (PB) nanoparticles (NPs)-carboxylic group-functionalized 3D-KSCs (PBNPs-3D-FKSCs), CuNiNPs-3D-KSCs, and CoNPs-3D-KSCs were prepared by a facile two-step route consisting of carbonization and subsequent chemical synthesis or one-step carbonization of KS-metal ion complex. The obtained 3D-KSCs/inorganic nanocomposites were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, energy dispersive X-ray spectroscopy, scanning electron microscopy, and Fourier transform-infrared spectroscopy. A whole piece of 3D-KSCs/nanocomposites was used to prepare an integrated 3D-KSCs/nanocomposite electrode. Compared to the electrode modified by graphene, carbon nanotubes and their derivatives, which can form close-packed structure after assembled on electrode surface, the integrated 3D-KSCs/nanocomposite electrode shows a 3D honeycomb porous structure. Such structure provides a large specific surface area, effectively supports a large number of electro-active species, and greatly enhances the mass and electron transfer. The electrochemical behaviors and electrocatalytic performances of the integrated 3D-KSCs/inorganic nanocomposite electrode were evaluated by cyclic voltammetry and the amperometric method. The resulted PBNPs-3D-FKSCs, CuNiNPs-3D-KSCs, and CoNPs-3D-KSCs electrode show good electrocatalytic performances toward the reduction of H2O2, the oxidation of glucose and amino acid, respectively. Therefore, the low-cost, renewable, and environmentally friendly 3D-KSCs should be promising supporting materials for an electrochemical sensor and biosensor. PMID:24422469

  17. Synthesis and characterization of polymeric materials derived from 2,5-diketopiperazines and pyroglutamic acid

    NASA Astrophysics Data System (ADS)

    Parrish, Dennis Arch

    The research presented in this dissertation describes the investigation of 2,5-diketopiperazines (DKPs) as property modifiers for addition polymers and the self association behavior of pyroglutamic acid derivatives. The first project involved the copolymerization of methyl methacrylate and styrene with DKP-based methacrylate monomers. Low incorporations of serine- and aspartame-based DKPs in the copolymer resulted in dramatic increases in the glass transition temperature (Ts). The research presented in Chapter II focuses on the ring-opening reactions of pyroglutamic diketopiperazine (pyDKP). The original intent was to synthesize polymers containing backbone DKPs through ring-opening polymerization of the five-membered rings. However, it was discovered that regioselective ring-opening occurs at the six-membered ring to give pyroglutamic acid derivatives. Since this reaction had not been reported previously, the focus of research was altered to investigate the scope and limitations of the new reaction. The ring-opening reactions of pyDKP with diamines to give bispyroglutamides is described in Chapter IV. While these materials are not polymeric, they display polymeric behavior. It was found that multi-functional pyroglutamides display Tgs during thermal analysis, exhibit high thermal stability, and form melt-drawn fibers. In contrast, the materials have low solution viscosities and are freely soluble in water, ethanol, and chloroform. This behavior is attributed to non-covalent supramolecular associations. The final part of this dissertation involved the investigation of thermoreversible organic solvent gelators. The ring-opening reaction of pyDKP with long alkyl amines unexpectedly gelled the reaction solvent. A series of analogous gelators were synthesized, and the minimum concentration required for gelation in various solvents was determined. It was found that the nature of the solvent, alkyl chain length, and optical activity of the gelator determined gelator

  18. Design, synthesis, and anticancer activity of novel berberine derivatives prepared via CuAAC “click” chemistry as potential anticancer agents

    PubMed Central

    Jin, Xin; Yan, Tian-Hua; Yan, Lan; Li, Qian; Wang, Rui-Lian; Hu, Zhen-Lin; Jiang, Yuan-Ying; Sun, Qing-Yan; Cao, Yong-Bing

    2014-01-01

    A series of novel derivatives of phenyl-substituted berberine triazolyls has been designed and synthesized via copper-catalyzed azide-alkyne cycloaddition click chemistry in an attempt to develop antitumor agents. All of the compounds were evaluated for anticancer activity against a panel of three human cancer cell lines, including MCF-7 (breast), SW-1990 (pancreatic), and SMMC-7721 (liver) and the noncancerous human umbilical vein endothelial cell (HUVEC) cell lines. The results indicated that most of the compounds displayed notable anticancer activities against the MCF-7 cells compared with berberine. Among these derivatives, compound 16 showed the most potent inhibitory activity against the SW-1990 and SMMC-7721 cell lines, with half-maximal inhibitory concentration (IC50) values of 8.54±1.97 μM and 11.87±1.83 μM, respectively. Compound 36 exhibited the most potent inhibitory activity against the MCF-7 cell line, with an IC50 value of 12.57±1.96 μM. Compound 16 and compound 36 exhibited low cytotoxicity in the HUVEC cell line, with IC50 values of 25.49±3.24 μM and 30.47±3.47 μM. Furthermore, compounds 14, 15, 16, 17, 18, 32, and 36 exhibited much better selectivity than berberine toward the normal cell line HUVEC. PMID:25120353

  19. Improvements to the Two-Thickness Method for Deriving Acoustic Properties of Materials

    NASA Technical Reports Server (NTRS)

    Palumbo, Daniel L.; Jones, Michael G.; Klos, Jacob; Park, Junhong

    2004-01-01

    The characteristic impedance and other derivative acoustic properties of a material can be derived from impedance tube data using the specific impedance measured from samples with two different thicknesses. In practice, samples are chosen so that their respective thicknesses differ by a factor of 2. This simplifies the solution of the equations relating the properties of the two samples so that the computation of the characteristic impedance is straightforward. This approach has at least two drawbacks. One is that it is often difficult to acquire or produce samples with precisely a factor of 2 difference in thickness. A second drawback is that the phase information contained in the imaginary part of the propagation constant must be unwrapped before subsequent computations are performed. For well-behaved samples, this is not a problem. For ill behaved samples of unknown properties, the phase unwrapping process can be tedious and difficult to automate. Two alternative approaches have been evaluated which remove the factor-of-2 sample thickness requirement and directly compute unwrapped phase angles. One uses a Newton-Raphson approach to solve for the roots of the samples' simultaneous equations. The other produces a wave number space diagram in which the roots are clearly discernable and easily extracted. Results are presented which illustrate the flexibility of analysis provided by the new approaches and how this can be used to better understand the limitations of the impedance tube data.

  20. Energy and materials flows in the production of olefins and their derivatives

    SciTech Connect

    Gaines, L.L.; Shen, S.Y.

    1980-08-01

    Production of olefins and their derivatives uses almost 3.5% of the oil and gas consumed annually in the United States. It is estimated that their production requires an input energy of 2 Q, which is 50% of the energy used in the production of all petrochemicals. Substantial amounts of this energy could be recovered through recycling. For example, recycling of a single plastic product, polyester soft drink bottles, could have recovered about 0.014 Q in 1979. (About 1.4 Q is used to produce plastic derivatives of olefins). Petrochemical processes use fuels as feedstocks, as well as for process energy, and a portion of this energy is not foregone and can be recovered through combustion of the products. The energy foregone in the production of ethylene is estimated to be 7800 Btu/lb. The energy foregone in plastics production ranges from 12,100 Btu/lb for the new linear low-density polyethylene to 77,200 Btu/lb for nylon 66, which is about 60% of the total energy input for that product. Further investigation of the following areas could yield both material and energy savings in the olefins industry: (1) recycling of petrochemical products to recover energy in addition to that recoverable through combustion, (2) impact of feedstock substitution on utilization of available national resources, and (3) effective use of the heat embodied in process steam. This steam accounts for a major fraction of the industry's energy input.

  1. 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.

  2. Derivation of a Levelized Cost of Coating (LCOC) metric for evaluation of solar selective absorber materials

    SciTech Connect

    Ho, C. K.; Pacheco, J. E.

    2015-06-05

    A new metric, the Levelized Cost of Coating (LCOC), is derived in this paper to evaluate and compare alternative solar selective absorber coatings against a baseline coating (Pyromark 2500). In contrast to previous metrics that focused only on the optical performance of the coating, the LCOC includes costs, durability, and optical performance for more comprehensive comparisons among candidate materials. The LCOC is defined as the annualized marginal cost of the coating to produce a baseline annual thermal energy production. Costs include the cost of materials and labor for initial application and reapplication of the coating, as well as the cost of additional or fewer heliostats to yield the same annual thermal energy production as the baseline coating. Results show that important factors impacting the LCOC include the initial solar absorptance, thermal emittance, reapplication interval, degradation rate, reapplication cost, and downtime during reapplication. The LCOC can also be used to determine the optimal reapplication interval to minimize the levelized cost of energy production. As a result, similar methods can be applied more generally to determine the levelized cost of component for other applications and systems.

  3. Derivation of a Levelized Cost of Coating (LCOC) metric for evaluation of solar selective absorber materials

    DOE PAGES

    Ho, C. K.; Pacheco, J. E.

    2015-06-05

    A new metric, the Levelized Cost of Coating (LCOC), is derived in this paper to evaluate and compare alternative solar selective absorber coatings against a baseline coating (Pyromark 2500). In contrast to previous metrics that focused only on the optical performance of the coating, the LCOC includes costs, durability, and optical performance for more comprehensive comparisons among candidate materials. The LCOC is defined as the annualized marginal cost of the coating to produce a baseline annual thermal energy production. Costs include the cost of materials and labor for initial application and reapplication of the coating, as well as the costmore » of additional or fewer heliostats to yield the same annual thermal energy production as the baseline coating. Results show that important factors impacting the LCOC include the initial solar absorptance, thermal emittance, reapplication interval, degradation rate, reapplication cost, and downtime during reapplication. The LCOC can also be used to determine the optimal reapplication interval to minimize the levelized cost of energy production. As a result, similar methods can be applied more generally to determine the levelized cost of component for other applications and systems.« less

  4. Adsorption of methylene blue on biochar microparticles derived from different waste materials.

    PubMed

    Lonappan, Linson; Rouissi, Tarek; Das, Ratul Kumar; Brar, Satinder K; Ramirez, Antonio Avalos; Verma, Mausam; Surampalli, Rao Y; Valero, José R

    2016-03-01

    Biochar microparticles were prepared from three different types of biochar, derived from waste materials, such as pine wood (BC-PW), pig manure (BC-PM) and cardboard (BC-PD) under various pyrolysis conditions. The microparticles were prepared by dry grinding and sequential sieving through various ASTM sieves. Particle size and specific surface area were analyzed using laser particle size analyzer. The particles were further characterized using scanning electron microscope (SEM). The adsorption capacity of each class of adsorbent was determined by methylene blue adsorption tests in comparison with commercially available activated carbon. Experimental results showed that dye adsorption increased with initial concentration of the adsorbate and biochar dosage. Biochar microparticles prepared from different sources exhibited improvement in adsorption capacity (7.8±0.5 mg g(-1) to 25±1.3 mg g(-1)) in comparison with raw biochar and commercially available activated carbon. The adsorption capacity varied with source material and method of production of biochar. The maximum adsorption capacity was 25 mg g(-1) for BC-PM microparticles at 25°C for an adsorbate concentration of 500 mg L(-1) in comparison with 48.30±3.6 mg g(-1) for activated carbon. The equilibrium adsorption data were best described by Langmuir model for BC-PM and BC-PD and Freundlich model for BC-PW.

  5. Adsorption of methylene blue on biochar microparticles derived from different waste materials.

    PubMed

    Lonappan, Linson; Rouissi, Tarek; Das, Ratul Kumar; Brar, Satinder K; Ramirez, Antonio Avalos; Verma, Mausam; Surampalli, Rao Y; Valero, José R

    2016-03-01

    Biochar microparticles were prepared from three different types of biochar, derived from waste materials, such as pine wood (BC-PW), pig manure (BC-PM) and cardboard (BC-PD) under various pyrolysis conditions. The microparticles were prepared by dry grinding and sequential sieving through various ASTM sieves. Particle size and specific surface area were analyzed using laser particle size analyzer. The particles were further characterized using scanning electron microscope (SEM). The adsorption capacity of each class of adsorbent was determined by methylene blue adsorption tests in comparison with commercially available activated carbon. Experimental results showed that dye adsorption increased with initial concentration of the adsorbate and biochar dosage. Biochar microparticles prepared from different sources exhibited improvement in adsorption capacity (7.8±0.5 mg g(-1) to 25±1.3 mg g(-1)) in comparison with raw biochar and commercially available activated carbon. The adsorption capacity varied with source material and method of production of biochar. The maximum adsorption capacity was 25 mg g(-1) for BC-PM microparticles at 25°C for an adsorbate concentration of 500 mg L(-1) in comparison with 48.30±3.6 mg g(-1) for activated carbon. The equilibrium adsorption data were best described by Langmuir model for BC-PM and BC-PD and Freundlich model for BC-PW. PMID:26818183

  6. Nature and Properties of Lateritic Soils Derived from Different Parent Materials in Taiwan

    PubMed Central

    2014-01-01

    The objective of this study was to investigate the physical, chemical, and mineralogical composition of lateritic soils in order to use these soils as potential commercial products for industrial application in the future. Five lateritic soils derived from various parent materials in Taiwan, including andesite, diluvium, shale stone, basalt, and Pleistocene deposit, were collected from the Bt1 level of soil samples. Based on the analyses, the Tungwei soil is an alfisol, whereas other lateritic soils are ultisol. Higher pH value of Tungwei is attributed to the large amounts of Ca2+ and Mg2+. Loupi and Pingchen soils would be the older lateritic soils because of the lower active iron ratio. For the iron minerals, the magnetic iron oxides such as major amounts of magnetite and maghemite were found for Tamshui and Tungwei lateritic soils, respectively. Lepidocrocite was only found in Soka soil and intermediate amounts of goethite were detected for Loupi and Pingchen soils. After Mg-saturated and K-saturated processes, major amounts of mixed layer were observed in Loupi and Soka soils, whereas the montmorillonite was only detected in Tungwei soil. The investigation results revealed that the parent materials would play an important role during soil weathering process and physical, chemical, and mineralogy compositions strongly affect the formation of lateritic soils. PMID:24883366

  7. Nature and properties of lateritic soils derived from different parent materials in Taiwan.

    PubMed

    Ko, Tzu-Hsing

    2014-01-01

    The objective of this study was to investigate the physical, chemical, and mineralogical composition of lateritic soils in order to use these soils as potential commercial products for industrial application in the future. Five lateritic soils derived from various parent materials in Taiwan, including andesite, diluvium, shale stone, basalt, and Pleistocene deposit, were collected from the Bt1 level of soil samples. Based on the analyses, the Tungwei soil is an alfisol, whereas other lateritic soils are ultisol. Higher pH value of Tungwei is attributed to the large amounts of Ca(2+) and Mg(2+). Loupi and Pingchen soils would be the older lateritic soils because of the lower active iron ratio. For the iron minerals, the magnetic iron oxides such as major amounts of magnetite and maghemite were found for Tamshui and Tungwei lateritic soils, respectively. Lepidocrocite was only found in Soka soil and intermediate amounts of goethite were detected for Loupi and Pingchen soils. After Mg-saturated and K-saturated processes, major amounts of mixed layer were observed in Loupi and Soka soils, whereas the montmorillonite was only detected in Tungwei soil. The investigation results revealed that the parent materials would play an important role during soil weathering process and physical, chemical, and mineralogy compositions strongly affect the formation of lateritic soils.

  8. Preliminary analyses for perchlorate in selected natural materials and their derivative products

    USGS Publications Warehouse

    Orris, G.J.; Harvey, G.J.; Tsui, D.T.; Eldrige, J.E.

    2003-01-01

    Increasing concern about sources of perchlorate contamination in ground and surface waters has led to interest in identifying potential sources of natural perchlorate and products derived from these natural sources. To date, most perchlorate found in ground and surface waters has been attributed to its major uses as an oxidizer in solid propellants for rockets, in fireworks and other explosives, and a variety of other uses of man-made perchlorate salts. However, perchlorate found in the soils, surface water, and ground water of some locations cannot be linked to an anthropogenic source. This paper contains preliminary data on the detection and non-detection of perchlorate in a variety of natural materials and their products, including some fertilizer materials. These data were previously presented at two conferences; once in poster session and once orally (Harvey and others, 1999; Orris and others, 2000). Although the results presented here are included in a journal article awaiting publication, the lack of public information on this topic has led to repeated requests for the data used as the basis for our presentations in 1999 and 2000.

  9. Nature and properties of lateritic soils derived from different parent materials in Taiwan.

    PubMed

    Ko, Tzu-Hsing

    2014-01-01

    The objective of this study was to investigate the physical, chemical, and mineralogical composition of lateritic soils in order to use these soils as potential commercial products for industrial application in the future. Five lateritic soils derived from various parent materials in Taiwan, including andesite, diluvium, shale stone, basalt, and Pleistocene deposit, were collected from the Bt1 level of soil samples. Based on the analyses, the Tungwei soil is an alfisol, whereas other lateritic soils are ultisol. Higher pH value of Tungwei is attributed to the large amounts of Ca(2+) and Mg(2+). Loupi and Pingchen soils would be the older lateritic soils because of the lower active iron ratio. For the iron minerals, the magnetic iron oxides such as major amounts of magnetite and maghemite were found for Tamshui and Tungwei lateritic soils, respectively. Lepidocrocite was only found in Soka soil and intermediate amounts of goethite were detected for Loupi and Pingchen soils. After Mg-saturated and K-saturated processes, major amounts of mixed layer were observed in Loupi and Soka soils, whereas the montmorillonite was only detected in Tungwei soil. The investigation results revealed that the parent materials would play an important role during soil weathering process and physical, chemical, and mineralogy compositions strongly affect the formation of lateritic soils. PMID:24883366

  10. Carbon dioxide emissions from agricultural soils amended with livestock-derived organic materials

    NASA Astrophysics Data System (ADS)

    Pezzolla, D.; Said-Pullicino, D.; Gigliotti, G.

    2009-04-01

    Carbon dioxide gas xchange between terrestrial ecosystems and the atmosphere, as well as the carbon sink strength of various arable land ecosystems, is of primary interest for global change research. Measures for increasing soil C inputs include the preferential use of livestock-derived organic materials (e.g. animal manure and slurries, digestate from biogas production plants and compost). The application of such materials to agricultural soils returns essential nutrients for plant growth and organic matter to maintain long-term fertility. Whether or not such practices ultimately result in sustained C sequestration at the ecosystem level will depend on their mineralization rates. This work presents preliminary results from a laboratory incubation trial to evaluate carbon dioxide fluxes from two agricultural soils (a calcareous silt loam and a silty clay loam) amended with agricultural doses of (i) pig slurry (PSL), (ii) the digestate from the anaerobic fermentation of pig slurries (AAS) and (ii) a compost from the aerobic stabilisation of the digestate (LDC). These subsequent steps of slurry stabilisation resulted in a decrease in the content of labile organic matter which was reflected in a reduction in maximum carbon dioxide emission rates from amended soils. Measurements have shown that peak emissions from soils occur immediately after application of these organic materials (within 5 days) and decrease in the order PSL > AAS > LDC. Moreover, mean cumulative emissions over the first 40 days showed that a higher percentage (about 44%) of the C added with PSL was mineralised respect to C added with AAS (39%) and LDC (25%). Although it was hypothesised that apart from the quantity and stability of the added organic materials, even soil characteristics could influence C mineralisation rates, no significant differences were observed between emission fluxes for similarly treated soils. Mean cumulative emission fluxes after 40 days from treatment were of 114, 103 and

  11. Thiamin diphosphate in biological chemistry: new aspects of thiamin metabolism, especially triphosphate derivatives acting other than as cofactors.

    PubMed

    Bettendorff, Lucien; Wins, Pierre

    2009-06-01

    Prokaryotes, yeasts and plants synthesize thiamin (vitamin B1) via complex pathways. Animal cells capture the vitamin through specific high-affinity transporters essential for internal thiamin homeostasis. Inside the cells, thiamin is phosphorylated to higher phosphate derivatives. Thiamin diphosphate (ThDP) is the best-known thiamin compound because of its role as an enzymatic cofactor. However, in addition to ThDP, at least three other thiamin phosphates occur naturally in most cells: thiamin monophosphate, thiamin triphosphate (ThTP) and the recently discovered adenosine thiamin triphosphate. It has been suggested that ThTP has a specific neurophysiological role, but recent data favor a much more basic metabolic function. During amino acid starvation, Escherichia coli accumulate ThTP, possibly acting as a signal involved in the adaptation of the bacteria to changing nutritional conditions. In animal cells, ThTP can phosphorylate some proteins, but the physiological significance of this mechanism remains unknown. Adenosine thiamin triphosphate, recently discovered in E. coli, accumulates during carbon starvation and might act as an alarmone. Among the proteins involved in thiamin metabolism, thiamin transporters, thiamin pyrophosphokinase and a soluble 25-kDa thiamin triphosphatase have been characterized at the molecular level, in contrast to thiamin mono- and diphosphatases whose specificities remain to be proven. A soluble enzyme catalyzing the synthesis of adenosine thiamin triphosphate from ThDP and ADP or ATP has been partially characterized in E. coli, but the mechanism of ThTP synthesis remains elusive. The data reviewed here illustrate the complexity of thiamin biochemistry, which is not restricted to the cofactor role of ThDP.

  12. A particle-tracking approach for accurate material derivative measurements with tomographic PIV

    NASA Astrophysics Data System (ADS)

    Novara, Matteo; Scarano, Fulvio

    2013-08-01

    The evaluation of the instantaneous 3D pressure field from tomographic PIV data relies on the accurate estimate of the fluid velocity material derivative, i.e., the velocity time rate of change following a given fluid element. To date, techniques that reconstruct the fluid parcel trajectory from a time sequence of 3D velocity fields obtained with Tomo-PIV have already been introduced. However, an accurate evaluation of the fluid element acceleration requires trajectory reconstruction over a relatively long observation time, which reduces random errors. On the other hand, simple integration and finite difference techniques suffer from increasing truncation errors when complex trajectories need to be reconstructed over a long time interval. In principle, particle-tracking velocimetry techniques (3D-PTV) enable the accurate reconstruction of single particle trajectories over a long observation time. Nevertheless, PTV can be reliably performed only at limited particle image number density due to errors caused by overlapping particles. The particle image density can be substantially increased by use of tomographic PIV. In the present study, a technique to combine the higher information density of tomographic PIV and the accurate trajectory reconstruction of PTV is proposed (Tomo-3D-PTV). The particle-tracking algorithm is applied to the tracers detected in the 3D domain obtained by tomographic reconstruction. The 3D particle information is highly sparse and intersection of trajectories is virtually impossible. As a result, ambiguities in the particle path identification over subsequent recordings are easily avoided. Polynomial fitting functions are introduced that describe the particle position in time with sequences based on several recordings, leading to the reduction in truncation errors for complex trajectories. Moreover, the polynomial regression approach provides a reduction in the random errors due to the particle position measurement. Finally, the acceleration

  13. Derivation of uranium residual radioactive material guidelines for the Elza Gate Site

    SciTech Connect

    Cheng, J.J.; Yu, C.; Devgun, J.S.

    1991-02-01

    Residual radioactive material guidelines for uranium were derived for a large, homogeneously contaminated area at the Elza Gate Site in Oak Ridge, Tennessee. The derivation of the single-nuclide and total uranium guidelines was based on the requirement that the 50-year committed effective dose equivalent to hypothetical individual who lives or works in the immediate vicinity of the Elza Gate Site should not exceed a dose of 100 mrem/yr following decontamination. The DOE residual radioactive guideline computer code RESRAD was used in this evaluation. Four potential scenarios were considered for the site; the scenarios vary with regard to time spent at the site, sources of water used, and sources of food consumed. The results of the evaluation indicate that the basic dose limit of 100 mrem/yr will not be exceeded for uranium within 1000 years, provided that the soil concentration of uranium at the Elza Gate Site does not exceed the following levels: 1800 pCi/g for Scenario A (industrial worker: the expected scenario); 4000 pCi/g for Scenario B (recreationist: a plausible scenario); 470 pCi/g for Scenario C (resident farmer using pond water as the only water source: a possible but unlikely scenario); and 120 pCi/g for Scenario D (resident farmer using well water as the only water source: a possible but unlikely scenario). The uranium guideline applies to the total activity concentration of uranium isotopes in their natural activity concentration ratio of 1:1: 0.046. These guidelines are calculated on the basis of a dose of 100 mrem/yr. In setting the actual uranium guideline for the Elza Gate Site, the DOE will apply the as low as reasonably achievable (ALARA) policy to the decision-making process, along with other factors, such as determining whether a particular scenario is reasonable and appropriate. 10 refs., 3 figs., 7 tabs.

  14. Zinc porphyrin-fullerene derivative noncovalently functionalized graphene hybrid as interfacial material for electrocatalytic application.

    PubMed

    Fan, Suhua; Yang, Jiao; Wei, Ting; Zhang, Jie; Zhang, Ni; Chai, Mengqing; Jin, Xiaoyan; Wu, Hai

    2016-11-01

    In this paper, a p-methoxy zinc porphyrin-fullerene derivative (ZnPp-C60) noncovalently functionalized electrochemically reduced graphene oxide (ERGO) hybrid (ERGO@ZnPp-C60) was facilely obtained by π-π stacking interaction between zinc porphyrin ring and ERGO. The hybrid was characterized by scanning electron microscope (SEM), electrochemistry, UV-vis spectra, and density functional theory (DFT), which demonstrated that the presence of ERGO caused more redox reversibility and higher electrocatalytic activity of ZnPp-C60. By using their synergistic effects of the remarkable mechanical, electrical, catalytic, and structural properties, ERGO@ZnPp-C60 incorporated in tetraoctylammonium bromide (TOAB) film was modified on the glassy carbon electrode (GCE) to construct a novel non-enzymatic electrochemical sensor. The sensor exhibited enhancing response sensitivity for the electrocatalyic reduction of hydrogen peroxide with a high sensitivity of 451.3μAmM(-1) and a limit of detection (LOD) as low as 0.27μM. The sensitivity is 2-fold larger than that of TOAB/ZnPp-C60/GCE in the absence of ERGO. Although a high detecting sensitivity of 162.5μAmM(-1) for electrocatalytic oxidation of nitrite could be also obtained on the presented sensor, the sensitivity is lower than that of TOAB/ZnPp-C60/GCE (233.9μAmM(-1)) due to the change in the structure of ZnPp-C60 and the electronic interactions between GO and ZnPp-C60. Even though, the smart hybrid (ERGO@ZnPp-C60) possesses obvious advantage for the fabrication of non-enzymatic electrochemical sensor and paves a new avenue for constructing C60 derivative and graphene based materials. PMID:27591667

  15. Stem Cell–Derived Bioactive Materials Accelerate Development of Porcine In Vitro–Fertilized Embryos

    PubMed Central

    Lee, Seung-Eun; Moon, Jeremiah Ji-Man; Kim, Eun-Young

    2015-01-01

    Abstract Stem cells show the capability to proliferate in an undifferentiated state with long-term self-renewal, which gives the cells advantages for use as bioactive material (BM) for embryo culture in vitro. The objective of this experiment was to investigate the effect of two BMs—human adipose tissue–derived mesenchymal stem cell BM (hAT-MSC-BM) and human embryonic stem cell–derived BM (hESC-BM)—on porcine embryo development compared to commonly used bovine serum albumin (BSA) or serum treatment groups. In vitro–fertilized (IVF) embryos were cultured in PZM-5 with 4 mg/mL BSA until day 4 and equally divided into four groups. Starting from day 4 (until day 6), each group was treated with the following protein additives: 4 mg/mL BSA (control), 10% fetal bovine serum (FBS), 10% hAT-MSC-BM, or 10% hESC-BM. Our results show FBS- and two other BM-treated groups showed significant increases in blastocyst formation rate, hatching rate, and total cell number compared with the control group (p<0.05). The hAT-MSC-BM and hESC-BM treatment groups presented better-quality embryo development, especially from the middle expanding stage to hatching. In particular, the hAT-MSC-BM–treated group showed the highest developmental potential of all groups and formed the most expanding-stage blastocysts. The relative expression of reprogramming-related transcription factor (POU5F1, SOX2, DPPA5, and CDH1), antioxidant (PRDX5), and apoptosis (BCL2L1 and BIRC5) genes also increased in two types of BMs compared to the control. In addition, we investigated the protein synthesis of the tight junction– and gap junction–related genes, connexin 43 and zonula occludens-1 (ZO-1); these increased more than in the control. These results demonstrate that stem cell–derived BMs accelerate porcine preimplantation embryo development and that the BMs would be helpful in the development of preimplantation embryos. PMID:26053518

  16. Derivation of guidelines for uranium residual radioactive material in soil at the New Brunswick Site, Middlesex County, New Jersey

    SciTech Connect

    Dunning, D.; Kamboj, S.; Nimmagadda, M.; Yu, C.

    1996-02-01

    Residual radioactive material guidelines for uranium in soil were derived for the New Brunswick Site, located in Middlesex County, New Jersey. This site has been designated for remedial action under the Formerly Utilized Sites Remedial Action Program of the US Department of Energy (DOE). Residual radioactive material guidelines for individual radionuclides of concern and total uranium were derived on the basis of the requirement that the 50-year committed effective dose equivalent to a hypothetical individual who lives or works in the immediate vicinity of the New Brunswick Site should not exceed a dose of 30 mrem/yr following remedial action for the current-use and likely future-use scenarios or a dose of 100 mrem/yr for less likely future-use scenarios. The DOE residual radioactive material guideline computer code, RESRAD, was used in this evaluation; RESRAD implements the methodology described in the DOE manual for establishing residual radioactive material guidelines. The guidelines derived in this report are intended to apply to the remediation of these remaining residual radioactive materials at the site. The primary radionuclides of concern in these remaining materials are expected to be radium-226 and, to a lesser extent, natural uranium and thorium. The DOE has established generic cleanup guidelines for radium and thorium in soil; however, cleanup guidelines for other radionuclides must be derived on a site-specific basis.

  17. Designing and Reporting Experiments in Chemistry Classes Using Examples from Materials Science: Illustrations of the Process and Communication of Scientific Research

    NASA Astrophysics Data System (ADS)

    Widstrand, Cynthia G.; Nordell, Karen J.; Ellis, Arthur B.

    2001-08-01

    As part of an inorganic chemistry class, students proposed and conducted short, quantitative experiments based on engaging materials science topics such as NiTi memory metal, amorphous metal, ferrofluid, and polydimethylsiloxane (PDMS) elastomer. After their experiments were completed, the students prepared a technical report in archival journal format and a short press release for nontechnical audiences. Drafts of these reports were critiqued by an undergraduate Writing Fellow and by a classmate. This exercise gave students an opportunity to develop and carry out a research project and communicate their results to technical and nontechnical audiences. The methodology described in the article could be adapted to a variety of chemistry courses as a means for promoting inquiry-based learning and communication skills.

  18. Application of Near-IR Absorption Porphyrin Dyes Derived from Click Chemistry as Third-Order Nonlinear Optical Materials.

    PubMed

    Mi, Yongsheng; Liang, Pengxia; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli; Yang, Huai; Yu, Lian

    2016-02-01

    Recently, third-order nonlinear properties of porphyrins and porphyrin polymers and coordination compounds have been extensively studied in relation to their use in photomedicine and molecular photonics. A new functionalized porphyrin dye containing electron-rich alkynes was synthesized and further modified by formal [2+2] click reactions with click reagents tetracyanoethylene (TCNE) and 7, 7, 8, 8-tetracyanoquinodimethane (TCNQ). The photophysical properties of these porphyrin dyes, as well as the click reaction, were studied by UV/Vis spectroscopy. In particular, third-order nonlinear optical properties of the dyes, which showed typical d-π-A structures, were characterized by Z-scan techniques. In addition, the self-assembly properties were investigated through the phase-exchange method, and highly organized morphologies were observed by scanning electron microscopy (SEM). The effects of the click post-functionalization on the properties of the porphyrins were studied, and these functionalized porphyrin dyes represent an interesting set of candidates for optoelectronic device components.

  19. Application of Near‐IR Absorption Porphyrin Dyes Derived from Click Chemistry as Third‐Order Nonlinear Optical Materials

    PubMed Central

    Mi, Yongsheng; Liang, Pengxia; Cao, Hui; He, Wanli

    2015-01-01

    Abstract Recently, third‐order nonlinear properties of porphyrins and porphyrin polymers and coordination compounds have been extensively studied in relation to their use in photomedicine and molecular photonics. A new functionalized porphyrin dye containing electron‐rich alkynes was synthesized and further modified by formal [2+2] click reactions with click reagents tetracyanoethylene (TCNE) and 7, 7, 8, 8‐tetracyanoquinodimethane (TCNQ). The photophysical properties of these porphyrin dyes, as well as the click reaction, were studied by UV/Vis spectroscopy. In particular, third‐order nonlinear optical properties of the dyes, which showed typical d‐π‐A structures, were characterized by Z‐scan techniques. In addition, the self‐assembly properties were investigated through the phase‐exchange method, and highly organized morphologies were observed by scanning electron microscopy (SEM). The effects of the click post‐functionalization on the properties of the porphyrins were studied, and these functionalized porphyrin dyes represent an interesting set of candidates for optoelectronic device components. PMID:27308215

  20. Synthesis and Characterization of a Layered Manganese Oxide: Materials Chemistry for the Inorganic or Instrumental Methods Lab

    ERIC Educational Resources Information Center

    Ching, Stanton; Neupane, Ram P.; Gray, Timothy P.

    2006-01-01

    A three-week laboratory project involving synthesis and characterization of a layered manganese oxide provides an excellent vehicle for teaching important concepts of inorganic chemistry and instrumental methods related to non-molecular systems. Na-birnessite is an easily prepared manganese oxide with a 7 A interlayer spacing and Na[superscript +]…

  1. Theoretical investigations into the nucleation of silica growth in basic solution part II--derivation and benchmarking of a first principles kinetic model of solution chemistry.

    PubMed

    McIntosh, Grant J

    2013-10-28

    A kinetic model of silicate oligomerization in water, up to and including tetramer formation, has been compiled exclusively from rate constants derived from transition state theory based on either quantum chemical data (derived under a hybrid solvation framework) for all bond breaking-forming reactions, or using empirically-based approximated pKa's and diffusion coefficients for rate constants of pH-based and bimolecular steps. The rate constants, based on an exhaustive search of all relevant elementary steps, form the basis of our kinetic model; numerical solution of the resulting rate equations allows the simulation of the reaction system, given a set of initial conditions and with almost no restriction on concentrations, pH, or reaction time, in a matter of only minutes. The model, which we believe contains all possible isomers of both neutral and singly anionic clusters, has been extensively benchmarked and reproduces a number of important experimental observations in the range pH ≈ 4-10. In particular, it provides a good description of the dominant products; product yields and reaction times (also as a function of pH) are in agreement with experiment; the linear relationship between the log of the rate of silica dissolution and pH is well reproduced; the origin of silica scaling naturally arises; and we can also simulate the observed fourth order dependence of the rate of monomer consumption on H4SiO4 concentration. This should be a general approach to exploring solution phase chemistry, and could be a useful complement to more conventional molecular dynamics and Monte Carlo modelling approaches in understanding complex reaction networks in solution.

  2. Treatment of nitrate-rich water in a baffled membrane bioreactor (BMBR) employing waste derived materials.

    PubMed

    Basu, Subhankar; Singh, Saurabh K; Tewari, Prahlad K; Batra, Vidya S; Balakrishnan, Malini

    2014-12-15

    Nitrate removal in submerged membrane bioreactors (MBRs) is limited as intensive aeration (for maintaining adequate dissolved oxygen levels and for membrane scouring) deters the formation of anoxic zones essential for biological denitrification. The present study employs baffled membrane bioreactor (BMBR) to overcome this constraint. Treatment of nitrate rich water (synthetic and real groundwater) was investigated. Sludge separation was achieved using ceramic membrane filters prepared from waste sugarcane bagasse ash. A complex external carbon source (leachate from anaerobic digestion of food waste) was used to maintain an appropriate C/N ratio. Over 90% COD and 95% NO3-N reduction was obtained. The bagasse ash filters produced a clear permeate, free of suspended solids. Sludge aggregates were observed in the reactor and were linked to the high extracellular polymeric substances (EPS) content. Lower sludge volume index (40 mL/g compared to 150 mL/g for seed sludge), higher settling velocity (47 m/h compared to 10 m/h for seed sludge) and sludge aggregates (0.7 mm aggregates compared to <0.2 mm for seed sludge) was observed. The results demonstrate the potential of waste-derived materials viz. food waste leachate and bagasse ash filters in water treatment.

  3. Studies on supercapacitor electrode material from activated lignin-derived mesoporous carbon.

    PubMed

    Saha, Dipendu; Li, Yunchao; Bi, Zhonghe; Chen, Jihua; Keum, Jong K; Hensley, Dale K; Grappe, Hippolyte A; Meyer, Harry M; Dai, Sheng; Paranthaman, M Parans; Naskar, A K

    2014-01-28

    We synthesized mesoporous carbon from pre-cross-linked lignin gel impregnated with a surfactant as the pore-forming agent and then activated the carbon through physical and chemical methods to obtain activated mesoporous carbon. The activated mesoporous carbons exhibited 1.5- to 6-fold increases in porosity with a maximum Brunauer-Emmett-Teller (BET) specific surface area of 1148 m(2)/g and a pore volume of 1.0 cm(3)/g. Both physical and chemical activation enhanced the mesoporosity along with significant microporosity. Plots of cyclic voltammetric data with the capacitor electrode made from these carbons showed an almost rectangular curve depicting the behavior of ideal double-layer capacitance. Although the pristine mesoporous carbon exhibited a range of surface-area-based capacitance similar to that of other known carbon-based supercapacitors, activation decreased the surface-area-based specific capacitance and enhanced the gravimetric specific capacitance of the mesoporous carbons. A vertical tail in the lower-frequency domain of the Nyquist plot provided additional evidence of good supercapacitor behavior for the activated mesoporous carbons. We have modeled the equivalent circuit of the Nyquist plot with the help of two constant phase elements (CPE). Our work demonstrated that biomass-derived mesoporous carbon materials continue to show potential for use in specific electrochemical applications.

  4. Studies on Supercapacitor Electrode Material from Activated Lignin-Derived Mesoporous Carbon

    SciTech Connect

    Saha, Dipendu; Li, Yunchao; Bi, Zhonghe; Chen, Jihua; Keum, Jong Kahk; Hensley, Dale K; Grappe, Hippolyte A.; Meyer III, Harry M; Dai, Sheng; Paranthaman, Mariappan Parans; Naskar, Amit K

    2014-01-01

    We synthesized mesoporous carbon from pre-cross-linked lignin gel impregnated with a surfactant as the pore-forming agent, and then activated the carbon through physical and chemical methods to obtain activated mesoporous carbon. The activated mesoporous carbons exhibited 1.5- to 6-fold increases in porosity with a maximum BET specific surface area of 1148 m2/g and a pore volume of 1.0 cm3/g. Slow physical activation helped retain dominant mesoporosity; however, aggressive chemical activation caused some loss of the mesopore volume fraction. Plots of cyclic voltammetric data with the capacitor electrode made from these carbons showed an almost rectangular curve depicting the behavior of ideal double-layer capacitance. Although the pristine mesoporous carbon exhibited the same range of surface-area-based capacitance as that of other known carbon-based supercapacitors, activation decreased the surface-area-based specific capacitance and increased the gravimetric-specific capacitance of the mesoporous carbons. Surface activation lowered bulk density and electrical conductivity. Warburg impedance as a vertical tail in the lower frequency domain of Nyquist plots supported good supercapacitor behavior for the activated mesoporous carbons. Our work demonstrated that biomass-derived mesoporous carbon materials continue to show potential for use in specific electrochemical applications.

  5. Blue Emitting Materials Based on Naphthylanthracene Derivatives Containing Electron-Withdrawing Fluorobenzenes.

    PubMed

    Yoon, Jhin-Yeong; Na, Eun Jae; Lee, Seok Jae; Kim, Young Kwan; Yoon, Seung Soo

    2015-02-01

    We have designed and synthesized three blue emitters based on 9-naphthylanthracene derivatives connected with various electron-withdrawing group such as 4-fluorobenzene, 2,4-difluorobenzene and 2,3,4,5,6-pentafluorobenzene (1-3). Multilayered OLEDs with the structure of ITO (180 nm)/NPB (50 nm)/Blue materials 1-3 (30 nm)/TPBi (15 nm)/Liq (2 nm)/AI (100 nm) have been fabricated to investigate their electroluminescent properties. In particular, the device using 3 showed efficient blue electroluminescent properties with a luminous, power, external quantum efficiency and CIE coordinates of 0.71 cd/A, 1.98 Im/W, 1.34% at 20 mA/cm2 and (x = 0.16, y = 0.20) at 10.0 V, respectively. In addition, a deep blue OLED using 1 with CIE coordinates (x = 0.15, y = 0.11) at 10.0 V exhibited a luminous, power, external quantum efficiency of 2.12 cd/A, 3.04 Im/W and 1.17% at 20 mA/cm2, respectively.

  6. Treatment of nitrate-rich water in a baffled membrane bioreactor (BMBR) employing waste derived materials.

    PubMed

    Basu, Subhankar; Singh, Saurabh K; Tewari, Prahlad K; Batra, Vidya S; Balakrishnan, Malini

    2014-12-15

    Nitrate removal in submerged membrane bioreactors (MBRs) is limited as intensive aeration (for maintaining adequate dissolved oxygen levels and for membrane scouring) deters the formation of anoxic zones essential for biological denitrification. The present study employs baffled membrane bioreactor (BMBR) to overcome this constraint. Treatment of nitrate rich water (synthetic and real groundwater) was investigated. Sludge separation was achieved using ceramic membrane filters prepared from waste sugarcane bagasse ash. A complex external carbon source (leachate from anaerobic digestion of food waste) was used to maintain an appropriate C/N ratio. Over 90% COD and 95% NO3-N reduction was obtained. The bagasse ash filters produced a clear permeate, free of suspended solids. Sludge aggregates were observed in the reactor and were linked to the high extracellular polymeric substances (EPS) content. Lower sludge volume index (40 mL/g compared to 150 mL/g for seed sludge), higher settling velocity (47 m/h compared to 10 m/h for seed sludge) and sludge aggregates (0.7 mm aggregates compared to <0.2 mm for seed sludge) was observed. The results demonstrate the potential of waste-derived materials viz. food waste leachate and bagasse ash filters in water treatment. PMID:25151111

  7. Luminescence behavior of terbium sulphosalicylic acid complexes in sol-gel derived host materials

    SciTech Connect

    Fan, X.; Wang, M.; Wang, Z.; Hong, Z.

    1997-08-01

    The formation and luminescence behavior of terbium sulphosalicylic acid (TbSSA) complexes in sol-gel derived host materials have been investigated. The 5-sulphosalicylic acid (H{sub 3}SSA) was dissolved in ethanol in advance, and then the TbCl{sub 3} and ethanol containing H{sub 3}SSA were introduced into the initial precursor sol, respectively. The resulting sol exhibits intramolecular energy transfer from the coordinated sulphosalicylic acid to the terbium ion. The TbSSA complex has formed in the TbCl{sub 3} and H{sub 3}SSA codoped sol. The complexes were found to have notably higher fluorescence intensities than TbCl{sub 3} in both the sol and the gel. In the sol, the concentration quenching was a diffusion-controlled process due to aggregation and effective collision between molecules and the fluorescence was decreased with increase of H{sub 3}SSA concentration. On the other hand, the molecules in the gel were isolated in the pores of the silica network. The fluorescence intensities of TbSSA in the gel were increased with the increase of concentration ratio of H{sub 3}SSA/TbCl{sub 3}. Maximum fluorescence intensity was obtained at H{sub 3}SSA/TbCl{sub 3} = 2.

  8. Blue Emitting Materials Based on Naphthylanthracene Derivatives Containing Electron-Withdrawing Fluorobenzenes.

    PubMed

    Yoon, Jhin-Yeong; Na, Eun Jae; Lee, Seok Jae; Kim, Young Kwan; Yoon, Seung Soo

    2015-02-01

    We have designed and synthesized three blue emitters based on 9-naphthylanthracene derivatives connected with various electron-withdrawing group such as 4-fluorobenzene, 2,4-difluorobenzene and 2,3,4,5,6-pentafluorobenzene (1-3). Multilayered OLEDs with the structure of ITO (180 nm)/NPB (50 nm)/Blue materials 1-3 (30 nm)/TPBi (15 nm)/Liq (2 nm)/AI (100 nm) have been fabricated to investigate their electroluminescent properties. In particular, the device using 3 showed efficient blue electroluminescent properties with a luminous, power, external quantum efficiency and CIE coordinates of 0.71 cd/A, 1.98 Im/W, 1.34% at 20 mA/cm2 and (x = 0.16, y = 0.20) at 10.0 V, respectively. In addition, a deep blue OLED using 1 with CIE coordinates (x = 0.15, y = 0.11) at 10.0 V exhibited a luminous, power, external quantum efficiency of 2.12 cd/A, 3.04 Im/W and 1.17% at 20 mA/cm2, respectively. PMID:26353704

  9. Detecting un-authorized genetically modified organisms (GMOs) and derived materials.

    PubMed

    Holst-Jensen, Arne; Bertheau, Yves; de Loose, Marc; Grohmann, Lutz; Hamels, Sandrine; Hougs, Lotte; Morisset, Dany; Pecoraro, Sven; Pla, Maria; Van den Bulcke, Marc; Wulff, Doerte

    2012-01-01

    Genetically modified plants, in the following referred to as genetically modified organisms or GMOs, have been commercially grown for almost two decades. In 2010 approximately 10% of the total global crop acreage was planted with GMOs (James, 2011). More than 30 countries have been growing commercial GMOs, and many more have performed field trials. Although the majority of commercial GMOs both in terms of acreage and specific events belong to the four species: soybean, maize, cotton and rapeseed, there are another 20+ species where GMOs are commercialized or in the pipeline for commercialization. The number of GMOs cultivated in field trials or for commercial production has constantly increased during this time period. So have the number of species, the number of countries involved, the diversity of novel (added) genetic elements and the global trade. All of these factors contribute to the increasing complexity of detecting and correctly identifying GMO derived material. Many jurisdictions, including the European Union (EU), legally distinguish between authorized (and therefore legal) and un-authorized (and therefore illegal) GMOs. Information about the developments, field trials, authorizations, cultivation, trade and observations made in the official GMO control laboratories in different countries around the world is often limited, despite several attempts such as the OECD BioTrack for voluntary dissemination of data. This lack of information inevitably makes it challenging to detect and identify GMOs, especially the un-authorized GMOs. The present paper reviews the state of the art technologies and approaches in light of coverage, practicability, sensitivity and limitations. Emphasis is put on exemplifying practical detection of un-authorized GMOs. Although this paper has a European (EU) bias when examples are given, the contents have global relevance. PMID:22333321

  10. Detecting un-authorized genetically modified organisms (GMOs) and derived materials.

    PubMed

    Holst-Jensen, Arne; Bertheau, Yves; de Loose, Marc; Grohmann, Lutz; Hamels, Sandrine; Hougs, Lotte; Morisset, Dany; Pecoraro, Sven; Pla, Maria; Van den Bulcke, Marc; Wulff, Doerte

    2012-01-01

    Genetically modified plants, in the following referred to as genetically modified organisms or GMOs, have been commercially grown for almost two decades. In 2010 approximately 10% of the total global crop acreage was planted with GMOs (James, 2011). More than 30 countries have been growing commercial GMOs, and many more have performed field trials. Although the majority of commercial GMOs both in terms of acreage and specific events belong to the four species: soybean, maize, cotton and rapeseed, there are another 20+ species where GMOs are commercialized or in the pipeline for commercialization. The number of GMOs cultivated in field trials or for commercial production has constantly increased during this time period. So have the number of species, the number of countries involved, the diversity of novel (added) genetic elements and the global trade. All of these factors contribute to the increasing complexity of detecting and correctly identifying GMO derived material. Many jurisdictions, including the European Union (EU), legally distinguish between authorized (and therefore legal) and un-authorized (and therefore illegal) GMOs. Information about the developments, field trials, authorizations, cultivation, trade and observations made in the official GMO control laboratories in different countries around the world is often limited, despite several attempts such as the OECD BioTrack for voluntary dissemination of data. This lack of information inevitably makes it challenging to detect and identify GMOs, especially the un-authorized GMOs. The present paper reviews the state of the art technologies and approaches in light of coverage, practicability, sensitivity and limitations. Emphasis is put on exemplifying practical detection of un-authorized GMOs. Although this paper has a European (EU) bias when examples are given, the contents have global relevance.

  11. Water Chemistry: Seeking Information

    ERIC Educational Resources Information Center

    Delfino, Joseph J.

    1977-01-01

    A survey of the available literature in water chemistry is presented. Materials surveyed include: texts, reference books, bibliographic resources, journals, American Chemical Society publications, proceedings, unpublished articles, and reports. (BT)

  12. A triphenylamine-based benzoxazole derivative as a high-contrast piezofluorochromic material induced by protonation.

    PubMed

    Xue, Pengchong; Chen, Peng; Jia, Junhui; Xu, Qiuxia; Sun, Jiabao; Yao, Boqi; Zhang, Zhenqi; Lu, Ran

    2014-03-11

    A triphenylamine-based benzoxazole derivative exhibits a low contrast piezofluorochromic behavior under external pressure, and a high-contrast fluorescence change induced by protonation can be observed.

  13. Assessment of some straw-derived materials for reducing the leaching potential of Metribuzin residues in the soil

    NASA Astrophysics Data System (ADS)

    Cara, Irina Gabriela; Trincă, Lucia Carmen; Trofin, Alina Elena; Cazacu, Ana; Ţopa, Denis; Peptu, Cătălina Anişoara; Jităreanu, Gerard

    2015-12-01

    Biomass (straw waste) can be used as raw to obtain materials for herbicide removal from wastewater. These by-products have some important advantages, being environmentally friendly, easily available, presenting low costs, and requiring little processing to increase their adsorptive capacity. In the present study, some materials derived from agricultural waste (wheat, corn and soybean straw) were investigated as potential adsorbents for metribuzin removal from aqueous solutions. The straw wastes were processed by grinding, mineralisation (850 °C) and KOH activation in order to improve their functional surface activity. The materials surface characteristics were investigated by scanning electron microscopy, energy dispersive X-ray spectroscopy and atomic force microscopy. The adsorbents capacity was evaluated using batch sorption tests and liquid chromatography coupled with mass spectrometry for herbicide determination. For adsorption isotherms, the equilibrium time considered was 3 h. The experimental adsorption data were modelled by Freundlich and Langmuir models. The activated straw and ash-derived materials from wheat, corn and soybean increased the adsorption capacity of metribuzin with an asymmetrical behaviour. Overall, our results sustain that activated ash-derived from straw and activated straw materials can be a valuable solution for reducing the leaching potential of metribuzin through soil.

  14. Precursor Derived Nanostructured Si-C-X Materials for Nuclear Applications. Final Report, October 2010 - September 2014

    SciTech Connect

    Bordia, Rajendra; Tomar, Vikas; Henager, Chuck

    2015-04-08

    Polymer derived ceramic route is an attractive approach to make structural materials with unique nanostructures that have very desirable high temperature properties. Processing techniques to make a variety of needed shapes and forms (e.g. coatings, matrices for fiber reinforced composites, porous ceramics) have been developed. With appropriate high temperature processing, the precursors can be converted to nano-crystalline materials. In this collaborative project, we investigated the processing, stability and properties of nanostructured Si-C materials, derived from polymeric precursors, and their performance under conditions appropriate for nuclear energy applications. All the milestones of the project were accomplished. Some of the results are being currently analyzed and additional papers being prepared in which support from NEUP will be acknowledged. So far, eight peer-reviewed papers have been published and one invention disclosure made. In this report, we summarize the major findings of this project.

  15. ROMP-Derived cyclooctene-based monolithic polymeric materials reinforced with inorganic nanoparticles for applications in tissue engineering.

    PubMed

    Weichelt, Franziska; Lenz, Solvig; Tiede, Stefanie; Reinhardt, Ingrid; Frerich, Bernhard; Buchmeiser, Michael R

    2010-12-17

    Porous monolithic inorganic/polymeric hybrid materials have been prepared via ring-opening metathesis copolymerization starting from a highly polar monomer, i.e., cis-5-cyclooctene-trans-1,2-diol and a 7-oxanorborn-2-ene-derived cross-linker in the presence of porogenic solvents and two types of inorganic nanoparticles (i.e., CaCO₃ and calcium hydroxyapatite, respectively) using the third-generation Grubbs initiator RuCl₂(Py)₂(IMesH₂)(CHPh). The physico-chemical properties of the monolithic materials, such as pore size distribution and microhardness were studied with regard to the nanoparticle type and content. Moreover, the reinforced monoliths were tested for the possible use as scaffold materials in tissue engineering, by carrying out cell cultivation experiments with human adipose tissue-derived stromal cells.

  16. Computational quantum chemistry website

    SciTech Connect

    1997-08-22

    This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage.

  17. The development and amino acid binding ability of nano-materials based on azo derivatives: theory and experiment.

    PubMed

    Shang, Xuefang; Du, Jinge; Yang, Wancai; Liu, Yun; Fu, Zhiyuan; Wei, Xiaofang; Yan, Ruifang; Yao, Ningcong; Guo, Yaping; Zhang, Jinlian; Xu, Xiufang

    2014-05-01

    Two nano-material-containing azo groups have been designed and developed, and the binding ability of nano-materials with various amino acids has been characterized by UV-vis and fluorescence titrations. Results indicated that two nano-materials showed the strongest binding ability for homocysteine among twenty normal kinds of amino acids (alanine, valine, leucine, isoleucine, methionine, aspartic acid, glutamic acid, arginine, glycine, serine, threonine, asparagine, phenylalanine, histidine, tryptophan, proline, lysine, glutamine, tyrosine and homocysteine). The reason for the high sensitivity for homocysteine was that two nano-materials containing an aldehyde group reacted with SH in homocysteine and afforded very stable thiazolidine derivatives. Theoretical investigation further illustrated the possible binding mode in host-guest interaction and the roles of molecular frontier orbitals in molecular interplay. Thus, the two nano-materials can be used as optical sensors for the detection of homocysteine.

  18. On Surface Order and Disorder of α-Pinene-Derived Secondary Organic Material

    SciTech Connect

    Shrestha, Mona; Zhang, Yue; Upshur, Mary Alice; Liu, Pengfei; Blair, Sandra L.; Wang, Hongfei; Nizkorodov, Sergey; Thomson, Regan; Martin, Scot T.; Geiger, Franz M.

    2015-05-14

    The surfaces of secondary organic aerosol particles are notoriously difficult to access experimentally, even though they are the key location where exchange between the aerosol particle phase and its gas phase occurs. Here, we overcome this difficulty by applying standard and sub 1-cm-1 resolution vibrational sum frequency generation (SFG) spectroscopy to detect C–H oscillators at the surfaces of secondary organic material (SOM) prepared from the ozonolysis of α-pinene at Harvard University and at the University of California, Irvine that were subsequently collected on Teflon filters as well as CaF2 windows using electrostatic deposition. We find both samples yield comparable SFG spectra featuring an intense peak at 2940 cm-1 that are independent of spectral resolution and location or method of preparation. We hypothesize that the SFG spectra are due to surface-active C–H oscillators associated with the four-membered ring motif of α-pinene, which produces an unresolvable spectral continuum of approximately 50 cm-1 width reminiscent of the similar, albeit much broader, O–H stretching continuum observed in the SFG spectra of aqueous surfaces. Upon subjecting the SOM samples to cycles in relative humidity (RH) between <2% RH and 95% RH, we observe reversible changes in the SFG signal intensity across the entire spectral range surveyed for a polarization combination probing components of the vibrational transition dipole moments that are oriented parallel to the plane of incidence, but no signal intensity changes for any other polarization combination investigated. These results support the notion that the C–H oscillators at the surfaces of α-pinene-derived SOM deposited on CaF2 windows shift back and forth between two different molecular orientation distributions as the RH is lowered (more ordered) or raised (less ordered). The findings thus point towards the presence of a reversible surface switch for hindering (more ordered, <2%RH) and promoting (less

  19. Human-derived and new synthetic injectable materials for soft-tissue augmentation: current status and role in cosmetic surgery.

    PubMed

    Alster, T S; West, T B

    2000-06-01

    The recent development of human-derived and new synthetic filling agents heralds a new era in soft-tissue augmentation. Many of the disadvantages of xenogenic and prior exogenous materials have been overcome with the advent of these autologous, allogeneic, and inert synthetic alternatives. Early reports using human-derived and inert exogenous filling agents have demonstrated good results and prolonged correction. It is too early, however, to assess the long-term efficacy of these agents. Future investigations should include histologic examination after facial implantation to document long-term safety and efficacy.

  20. Removal of Pb, Cd, and Cr in a water purification system using modified mineral waste materials and activated carbon derived from waste materials

    NASA Astrophysics Data System (ADS)

    Lu, H. R.; Su, L. C.; Ruan, H. D.

    2016-08-01

    This study attempts to find out and optimize the removal efficiency of heavy metals in a water purification unit using a low-cost waste material and modified mineral waste materials (MMWM) accompanied with activated carbon (AC) derived from waste materials. The factors of the inner diameter of the purification unit (2.6-5cm), the height of the packing materials (5-20cm), the size of AC (200-20mesh), the size of MMWM (1-0.045mm), and the ratio between AC and MMWM in the packing materials (1:0 - 0:1) were examined based on a L18 (5) 3 orthogonal array design. In order to achieve an optimally maximum removal efficiency, the factors of the inner diameter of the purification unit (2.6-7.5cm), the height of the packing materials (10-30cm), and the ratio between AC and MMWM in the packing materials (1:4-4:1) were examined based on a L16 (4) 3 orthogonal array design. A height of 25cm, inner diameter of 5cm, ratio between AC and MMWM of 3:2 with size of 60-40mesh and 0.075-0.045mm, respectively, were the best conditions determined by the ICP-OES analysis to perform the adsorption of heavy metals in this study.

  1. Chemistry Division annual progress report for period ending January 31, 1984

    SciTech Connect

    Not Available

    1984-05-01

    Progress is reported in the following fields: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, high-temperature chemistry and thermodynamics of structural materials, chemistry of transuranium elements and compounds, separations chemistry, elecrochemistry, catalysis, chemical physics, theoretical chemistry, nuclear waste chemistry, chemistry of hazardous chemicals, and thermal energy storage.

  2. Carbon dioxide capture on amine-rich carbonaceous materials derived from glucose.

    PubMed

    Zhao, Li; Bacsik, Zoltan; Hedin, Niklas; Wei, Wei; Sun, Yuhan; Antonietti, Markus; Titirici, Maria-Magdalena

    2010-07-19

    The synthesis of carbonaceous materials with a high surface density of amino functions for CO(2) sorption and sequestration is reported. The amino-rich carbonaceous materials are characterized by elemental analysis, N(2) sorption, scanning and transmission electron microscopy, zeta potential, TGA and FTIR measurements. A detailed discussion on the use of these materials in CO(2) capture is provided. The materials show significant sorption capabilities for CO(2) (4.3 mmol g(-1)at -20 degrees C and 1 bar). Furthermore, they show a high apparent selectivity for CO(2) over N(2) at both low and high temperatures.

  3. Gelatin-derived sustainable carbon-based functional materials for energy conversion and storage with controllability of structure and component

    PubMed Central

    Wang, Zhong-Li; Xu, Dan; Zhong, Hai-Xia; Wang, Jun; Meng, Fan-Lu; Zhang, Xin-Bo

    2015-01-01

    Nonprecious carbon catalysts and electrodes are vital components in energy conversion and storage systems. Despite recent progress, controllable synthesis of carbon functional materials is still a great challenge. We report a novel strategy to prepare simultaneously Fe-N-C catalysts and Fe3O4/N-doped carbon hybrids based on the sol-gel chemistry of gelatin and iron with controllability of structure and component. The catalysts demonstrate higher catalytic activity and better durability for oxygen reduction than precious Pt/C catalysts. The active sites of FeN4/C (D1) and N-FeN2+2/C (D3) are identified by Mössbauer spectroscopy, and most of the Fe ions are converted into D1 or D3 species. The oxygen reduction reaction (ORR) activity correlates well with the surface area, porosity, and the content of active Fe-Nx /C (D1 + D3) species. As an anode material for lithium storage, Fe3O4/carbon hybrids exhibit superior rate capability and excellent cycling performance. The synthetic approach and the proposed mechanism open new avenues for the development of sustainable carbon-based functional materials. PMID:26601126

  4. Derivation of guidelines for uranium residual radioactive material in soil at the Colonie Site, Colonie, New York

    SciTech Connect

    Dunning, D.

    1996-05-01

    Residual radioactive material guidelines for uranium in soil were derived for the Colonie site located in Colonie, New York. This site has been designated for remedial action under the Formerly Utilized Sites Remedial Action Program (FUSRAP) of the U.S. Department of Energy (DOE). The site became contaminated with radioactive material as a result of operations conducted by National Lead (NL) Industries from 1958 to 1984; these activities included brass foundry operations, electroplating of metal products, machining of various components using depleted uranium, and limited work with small amounts of enriched uranium and thorium. The Colonie site comprises the former NL Industries property, now designated the Colonie Interim Storage Site (CISS), and 56 vicinity properties contaminated by fallout from airborne emissions; 53 of the vicinity properties were previously remediated between 1984 and 1988. In 1984, DOE accepted ownership of the CISS property from NL Industries. Residual radioactive material guidelines for individual radionuclides and total uranium were derived on the basis of the requirement that the 50-year committed effective dose equivalent to a hypothetical individual who lives or works in the immediate vicinity of the site should not exceed a dose of 30 mrem/yr following remedial action for the current use and likely future use scenarios or a dose of 100 mrem/yr for less likely future use scenarios. The DOE residual radioactive material guideline computer code, RESRAD, was used in this evaluation; RESRAD implements the methodology described in the DOE manual for establishing residual radioactive material guidelines.

  5. Ultralow-fouling, functionalizable, and hydrolyzable zwitterionic materials and their derivatives for biological applications.

    PubMed

    Jiang, Shaoyi; Cao, Zhiqiang

    2010-03-01

    In recent years, zwitterionic materials such as poly(carboxybetaine) (pCB) and poly(sulfobetaine) (pSB) have been applied to a broad range of biomedical and engineering materials. Due to electrostatically induced hydration, surfaces coated with zwitterionic groups are highly resistant to nonspecific protein adsorption, bacterial adhesion, and biofilm formation. Among zwitterionic materials, pCB is unique due to its abundant functional groups for the convenient immobilization of biomolecules. pCB can also be prepared in a hydrolyzable form as cationic pCB esters, which can kill bacteria or condense DNA. The hydrolysis of cationic pCB esters into nonfouling zwitterionic groups will lead to the release of killed microbes or the irreversible unpackaging of DNA. Furthermore, mixed-charge materials have been shown to be equivalent to zwitterionic materials in resisting nonspecific protein adsorption when they are uniformly mixed at the molecular scale. PMID:20217815

  6. Enabling consistency in pluripotent stem cell-derived products for research and development and clinical applications through material standards.

    PubMed

    French, Anna; Bravery, Christopher; Smith, James; Chandra, Amit; Archibald, Peter; Gold, Joseph D; Artzi, Natalie; Kim, Hae-Won; Barker, Richard W; Meissner, Alexander; Wu, Joseph C; Knowles, Jonathan C; Williams, David; García-Cardeña, Guillermo; Sipp, Doug; Oh, Steve; Loring, Jeanne F; Rao, Mahendra S; Reeve, Brock; Wall, Ivan; Carr, Andrew J; Bure, Kim; Stacey, Glyn; Karp, Jeffrey M; Snyder, Evan Y; Brindley, David A

    2015-03-01

    There is a need for physical standards (reference materials) to ensure both reproducibility and consistency in the production of somatic cell types from human pluripotent stem cell (hPSC) sources. We have outlined the need for reference materials (RMs) in relation to the unique properties and concerns surrounding hPSC-derived products and suggest in-house approaches to RM generation relevant to basic research, drug screening, and therapeutic applications. hPSCs have an unparalleled potential as a source of somatic cells for drug screening, disease modeling, and therapeutic application. Undefined variation and product variability after differentiation to the lineage or cell type of interest impede efficient translation and can obscure the evaluation of clinical safety and efficacy. Moreover, in the absence of a consistent population, data generated from in vitro studies could be unreliable and irreproducible. Efforts to devise approaches and tools that facilitate improved consistency of hPSC-derived products, both as development tools and therapeutic products, will aid translation. Standards exist in both written and physical form; however, because many unknown factors persist in the field, premature written standards could inhibit rather than promote innovation and translation. We focused on the derivation of physical standard RMs. We outline the need for RMs and assess the approaches to in-house RM generation for hPSC-derived products, a critical tool for the analysis and control of product variation that can be applied by researchers and developers. We then explore potential routes for the generation of RMs, including both cellular and noncellular materials and novel methods that might provide valuable tools to measure and account for variation. Multiparametric techniques to identify "signatures" for therapeutically relevant cell types, such as neurons and cardiomyocytes that can be derived from hPSCs, would be of significant utility, although physical RMs will

  7. Enabling consistency in pluripotent stem cell-derived products for research and development and clinical applications through material standards.

    PubMed

    French, Anna; Bravery, Christopher; Smith, James; Chandra, Amit; Archibald, Peter; Gold, Joseph D; Artzi, Natalie; Kim, Hae-Won; Barker, Richard W; Meissner, Alexander; Wu, Joseph C; Knowles, Jonathan C; Williams, David; García-Cardeña, Guillermo; Sipp, Doug; Oh, Steve; Loring, Jeanne F; Rao, Mahendra S; Reeve, Brock; Wall, Ivan; Carr, Andrew J; Bure, Kim; Stacey, Glyn; Karp, Jeffrey M; Snyder, Evan Y; Brindley, David A

    2015-03-01

    There is a need for physical standards (reference materials) to ensure both reproducibility and consistency in the production of somatic cell types from human pluripotent stem cell (hPSC) sources. We have outlined the need for reference materials (RMs) in relation to the unique properties and concerns surrounding hPSC-derived products and suggest in-house approaches to RM generation relevant to basic research, drug screening, and therapeutic applications. hPSCs have an unparalleled potential as a source of somatic cells for drug screening, disease modeling, and therapeutic application. Undefined variation and product variability after differentiation to the lineage or cell type of interest impede efficient translation and can obscure the evaluation of clinical safety and efficacy. Moreover, in the absence of a consistent population, data generated from in vitro studies could be unreliable and irreproducible. Efforts to devise approaches and tools that facilitate improved consistency of hPSC-derived products, both as development tools and therapeutic products, will aid translation. Standards exist in both written and physical form; however, because many unknown factors persist in the field, premature written standards could inhibit rather than promote innovation and translation. We focused on the derivation of physical standard RMs. We outline the need for RMs and assess the approaches to in-house RM generation for hPSC-derived products, a critical tool for the analysis and control of product variation that can be applied by researchers and developers. We then explore potential routes for the generation of RMs, including both cellular and noncellular materials and novel methods that might provide valuable tools to measure and account for variation. Multiparametric techniques to identify "signatures" for therapeutically relevant cell types, such as neurons and cardiomyocytes that can be derived from hPSCs, would be of significant utility, although physical RMs will

  8. Enabling Consistency in Pluripotent Stem Cell-Derived Products for Research and Development and Clinical Applications Through Material Standards

    PubMed Central

    Bravery, Christopher; Smith, James; Chandra, Amit; Archibald, Peter; Gold, Joseph D.; Artzi, Natalie; Kim, Hae-Won; Barker, Richard W.; Meissner, Alexander; Wu, Joseph C.; Knowles, Jonathan C.; Williams, David; García-Cardeña, Guillermo; Sipp, Doug; Oh, Steve; Loring, Jeanne F.; Rao, Mahendra S.; Reeve, Brock; Wall, Ivan; Carr, Andrew J.; Bure, Kim; Stacey, Glyn; Karp, Jeffrey M.

    2015-01-01

    Summary There is a need for physical standards (reference materials) to ensure both reproducibility and consistency in the production of somatic cell types from human pluripotent stem cell (hPSC) sources. We have outlined the need for reference materials (RMs) in relation to the unique properties and concerns surrounding hPSC-derived products and suggest in-house approaches to RM generation relevant to basic research, drug screening, and therapeutic applications. hPSCs have an unparalleled potential as a source of somatic cells for drug screening, disease modeling, and therapeutic application. Undefined variation and product variability after differentiation to the lineage or cell type of interest impede efficient translation and can obscure the evaluation of clinical safety and efficacy. Moreover, in the absence of a consistent population, data generated from in vitro studies could be unreliable and irreproducible. Efforts to devise approaches and tools that facilitate improved consistency of hPSC-derived products, both as development tools and therapeutic products, will aid translation. Standards exist in both written and physical form; however, because many unknown factors persist in the field, premature written standards could inhibit rather than promote innovation and translation. We focused on the derivation of physical standard RMs. We outline the need for RMs and assess the approaches to in-house RM generation for hPSC-derived products, a critical tool for the analysis and control of product variation that can be applied by researchers and developers. We then explore potential routes for the generation of RMs, including both cellular and noncellular materials and novel methods that might provide valuable tools to measure and account for variation. Multiparametric techniques to identify “signatures” for therapeutically relevant cell types, such as neurons and cardiomyocytes that can be derived from hPSCs, would be of significant utility, although

  9. Derived Interaction Parameters for the Tsai-Wu Tensor Polynomial Theory of Strength for Composite Materials

    SciTech Connect

    DeTeresa, S J; Larsen, G J

    2001-08-03

    It is shown that the two interactive strength parameters in the Tsai-Wu tensor polynomial strength criterion for fiber composites can be derived in terms of the uniaxial or non-interacting strength parameters if the composite does not fail under practical levels of hydrostatic pressure or equal transverse compression. Thus the required number of parameters is reduced from seven to five and all five of the remaining strength terms are easily determined using standard test methods. The derived interactive parameters fall within the stability limits of the theory, yet they lead to open failure surfaces in the compressive stress quadrant. The assumptions used to derive the interactive parameters were supported by measurements for the effect of hydrostatic pressure and unequal transverse compression on the behavior of a typical carbon fiber composite.

  10. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Thirteen ideas are presented that may be of use to chemistry teachers. Topics covered include vitamin C, industrial chemistry, electrical conductivity, electrolysis, alkali metals, vibration modes infra-red, dynamic equilibrium, and some new demonstrations in gaseous combinations. (PS)

  11. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes experiments, demonstrations, activities and ideas relating to various fields of chemistry to be used in chemistry courses of secondary schools. Three experiments concerning differential thermal analysis are among these notes presented. (HM)

  12. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1976

    1976-01-01

    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  13. Colour Chemistry

    ERIC Educational Resources Information Center

    Griffiths, J.; Rattee, I. D.

    1973-01-01

    Discusses the course offerings in pure color chemistry at two universities and the three main aspects of study: dyestuff chemistry, color measurement, and color application. Indicates that there exists a constant challenge to ingenuity in the subject discipline. (CC)

  14. Medical Laboratory Technician--Chemical Chemistry & Urinalysis, 10-2. Military Curriculum Materials for Vocational and Technical Education.

    ERIC Educational Resources Information Center

    Ohio State Univ., Columbus. National Center for Research in Vocational Education.

    This publication, the last of three course materials in the medical laboratory technician field adapted from the Military Curriculum Materials for Use in Technical and Vocational Education series, was designed as a refresher course for student self-study and evaluation. It can be used by advanced students or beginning students participating in a…

  15. Center for Coal-Derived Low Energy Materials for Sustainable Construction

    SciTech Connect

    Jewell, Robert; Robl, Tom; Rathbone, Robert

    2012-06-30

    The overarching goal of this project was to create a sustained center to support the continued development of new products and industries that manufacture construction materials from coal combustion by-products or CCB’s (e.g., cements, grouts, wallboard, masonry block, fillers, roofing materials, etc). Specific objectives includes the development of a research kiln and associated system and the formulation and production of high performance low-energy, low-CO2 emitting calcium sulfoaluminate (CAS) cement that utilize coal combustion byproducts as raw materials.

  16. Chemistry and Materials Science progress report, first half FY 1992. Weapons-Supporting Research and Laboratory Directed Research and Development

    SciTech Connect

    Not Available

    1992-07-01

    This report contains sections on: Fundamentals of the physics and processing of metals; interfaces, adhesion, and bonding; energetic materials; plutonium research; synchrotron radiation-based materials science; atomistic approach to the interaction of surfaces with the environment: actinide studies; properties of carbon fibers; buried layer formation using ion implantation; active coherent control of chemical reaction dynamics; inorganic and organic aerogels; synthesis and characterization of melamine-formaldehyde aerogels; structural transformation and precursor phenomena in advanced materials; magnetic ultrathin films, surfaces, and overlayers; ductile-phase toughening of refractory-metal intermetallics; particle-solid interactions; electronic structure evolution of metal clusters; and nanoscale lithography induced chemically or physically by modified scanned probe microscopy.

  17. Chemical modeling of acid-base properties of soluble biopolymers derived from municipal waste treatment materials.

    PubMed

    Tabasso, Silvia; Berto, Silvia; Rosato, Roberta; Marinos, Janeth Alicia Tafur; Ginepro, Marco; Zelano, Vincenzo; Daniele, Pier Giuseppe; Montoneri, Enzo

    2015-02-04

    This work reports a study of the proton-binding capacity of biopolymers obtained from different materials supplied by a municipal biowaste treatment plant located in Northern Italy. One material was the anaerobic fermentation digestate of the urban wastes organic humid fraction. The others were the compost of home and public gardening residues and the compost of the mix of the above residues, digestate and sewage sludge. These materials were hydrolyzed under alkaline conditions to yield the biopolymers by saponification. The biopolymers were characterized by 13C NMR spectroscopy, elemental analysis and potentiometric titration. The titration data were elaborated to attain chemical models for interpretation of the proton-binding capacity of the biopolymers obtaining the acidic sites concentrations and their protonation constants. The results obtained with the models and by NMR spectroscopy were elaborated together in order to better characterize the nature of the macromolecules. The chemical nature of the biopolymers was found dependent upon the nature of the sourcing materials.

  18. 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.

  19. CLUSTER CHEMISTRY

    SciTech Connect

    Muetterties, Earl L.

    1980-05-01

    Metal cluster chemistry is one of the most rapidly developing areas of inorganic and organometallic chemistry. Prior to 1960 only a few metal clusters were well characterized. However, shortly after the early development of boron cluster chemistry, the field of metal cluster chemistry began to grow at a very rapid rate and a structural and a qualitative theoretical understanding of clusters came quickly. Analyzed here is the chemistry and the general significance of clusters with particular emphasis on the cluster research within my group. The importance of coordinately unsaturated, very reactive metal clusters is the major subject of discussion.

  20. Pectin-modifying enzymes and pectin-derived materials: applications and impacts.

    PubMed

    Bonnin, Estelle; Garnier, Catherine; Ralet, Marie-Christine

    2014-01-01

    Pectins are complex branched polysaccharides present in primary cell walls. As a distinctive feature, they contain high amount of partly methyl-esterified galacturonic acid and low amount of rhamnose and carry arabinose and galactose as major neutral sugars. Due to their structural complexity, they are modifiable by many different enzymes, including hydrolases, lyases, and esterases. Their peculiar structure is the origin of their physicochemical properties. Among others, their remarkable gelling properties make them a key additive for food industries. Pectin-degrading enzymes and -modifying enzymes may be used in a wide variety of applications to modulate pectin properties or produce pectin derivatives and oligosaccharides with functional as well as nutritional interests. This paper reviews the scientific information available on pectin structure, pectin-modifying enzymes, and the use of enzymes to produce pectin with controlled structure or pectin-derived oligosaccharides, with functional or nutritional interesting properties.

  1. Characterization and Hydrodesulfurization Properties of Catalysts Derived from Amorphous Metal-boron Materials

    SciTech Connect

    Parks, Greg; Pease, Melissa; Layman, Kathryn A.; Burns, Autumn W.; Bussell, Mark E.; Wang, Xianqin; Hanson, Jonathan; Rodriguez, Jose A.

    2007-01-22

    Unsupported and silica-supported amorphous metal-boron materials (Ni-B, Mo-O-B, and Ni-Mo-O-B) were prepared by NaBH4 reduction of aqueous or impregnated metal salts. The resulting materials were characterized by a range of techniques, including conventional and time-resolved X-ray diffraction. The latter technique was used to determine the onset of crystallization of the amorphous materials during annealing in He flow and to identify the phases formed. Annealing of unsupported Ni-B resulted in the crystallization of predominantly Ni3B, followed by Ni metal, whereas Ni-B/SiO2 formed Ni and then NiO. There was no evidence for crystallization of B-containing phases for Mo-O-B or Mo-O-B/SiO2 on annealing; instead, the predominant phase formed was MoO2. In general, the phases formed for Ni-Mo-O-B and Ni-Mo-O-B/SiO2 were consistent with those formed in the monometallic materials, but at higher annealing temperatures. Catalysts prepared by sulfiding Ni-B/SiO2 and Ni-Mo-O-B/SiO2 materials had significantly higher thiophene HDS activities than conventionally prepared sulfided Ni/SiO2 and Ni-Mo/SiO2 catalysts, whereas a sulfided Mo-O-B/SiO2 catalyst had a dramatically lower HDS activity than a sulfided Mo/SiO2 catalyst.

  2. Tris(triazolo)benzene and its derivatives: high-density energetic materials.

    PubMed

    Thottempudi, Venugopal; Forohor, Farhad; Parrish, Damon A; Shreeve, Jean'ne M

    2012-09-24

    High-performance explosives: Tris(triazolo)benzene was synthesized and converted to its trinitro and trichloro derivatives (see scheme; R=NO(2), Cl). The heats of formation of this "high-nitrogen" compounds were calculated and combined with experimentally determined densities to determine detonation pressures and velocities. They exhibit high density, good thermal stability, high heats of formation, and moderate to good detonation properties.

  3. Polyacrylonitrile-derived polyconjugated ladder structures for high performance all-organic dielectric materials.

    PubMed

    Liao, Xiaojian; Ding, Yichun; Chen, Linlin; Ye, Wan; Zhu, Jian; Fang, Hong; Hou, Haoqing

    2015-06-25

    A novel all-organic polyconjugated ladder structures-polyimide (PcLS-PI) composite was successfully synthesized, in which PcLS were derived from polyacrylonitrile (PAN). The PcLS-PI composite not only presents high dielectric performances of high dielectric permittivity, low dielectric loss, high electrical breakdown strength and high energy density, but also has excellent mechanical and thermal properties. PMID:26006760

  4. Fractional derivatives in the transport of drugs across biological materials and human skin

    NASA Astrophysics Data System (ADS)

    Caputo, Michele; Cametti, Cesare

    2016-11-01

    The diffusion of drugs across a composite structure such as a biological membrane is a rather complex phenomenon, because of its inhomogeneous nature, yielding a diffusion rate and a drug solubility strongly dependent on the local position across the membrane itself. These problems are particularly strengthened in composite structures of a considerable thickness like, for example, the human skin, where the high heterogeneity provokes the transport through different simultaneous pathways. In this note, we propose a generalization of the diffusion model based on Fick's 2nd equation by substituting a diffusion constant by means of the memory formalism approach (diffusion with memory). In particular, we employ two different definitions of the fractional derivative, i.e., the usual Caputo fractional derivative and a new definition recently proposed by Caputo and Fabrizio. The model predictions have been compared to experimental results concerning the permeation of two different compounds through human skin in vivo, such as piroxicam, an anti-inflammatory drug, and 4-cyanophenol, a test chemical model compound. Moreover, we have also considered water penetration across human stratum corneum and the diffusion of an antiviral agent employed as model drugs across the skin of male hairless rats. In all cases, a satisfactory good agreement based on the diffusion with memory has been found. However, the model based on the new definition of fractional derivative gives a better description of the experimental data, on the basis of the residuals analysis. The use of the new definition widens the applicability of the fractional derivative to diffusion processes in highly heterogeneous systems.

  5. Materials Chemistry Issues in the Development of a Single-Crystal Solar/Thermal Refractive Secondary Concentrator

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Biering, Robert C.

    2005-01-01

    A translucent crystal concentrates and transmits energy to a heat exchanger, which in turn heats a propellant gas, working gas of a dynamic power system, or a thermopile. Materials are the limiting issue in such a system. Central is the durability of the crystal, which must maintain the required chemical, physical/optical, and mechanical properties as it is heated and cooled. This report summarizes available data to date on the materials issues with this system. We focus on the current leading candidate materials, which are sapphire (Al2O3) for higher temperatures and silica (SiO2) for lower temperatures. We use data from thermochemical calculations; laboratory coupon tests with silica and sapphire; and system tests with sapphire. The required chemical properties include low-vapor pressure and interfacial stability with supporting structural materials. Optical properties such as transmittance and index of refraction must be maintained. Thermomechanical stability is a major challenge for a large, single-crystal ceramic and has been discussed in another report. In addition to the crystal, other materials in the proposed system include refractory metals (Nb, Ta, Mo, W, and Re), carbon (C), and high-temperature ceramic insulation. The major issue here is low levels of oxygen, which lead to volatile refractory metal oxides and rapid consumption of the refractory metal. Interfacial reactions between the ceramic crystal and refractory metal are also discussed. Finally, high-temperature ceramic insulating materials are also likely to be used in this system. Outgassing is a major issue for these materials. The products of outgassing are typically reactive with the refractory metals and must be minimized.

  6. 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.

  7. Supercritical CO2 Foaming of Thermoplastic Materials Derived from Maize: Proof-of-Concept Use in Mammalian Cell Culture Applications

    PubMed Central

    Trujillo-de Santiago, Grissel; Portales-Cabrera, Cynthia Guadalupe; Portillo-Lara, Roberto; Araiz-Hernández, Diana; Del Barone, Maria Cristina; García-López, Erika; Rojas-de Gante, Cecilia; de los Angeles De Santiago-Miramontes, María; Segoviano-Ramírez, Juan Carlos; García-Lara, Silverio; Rodríguez-González, Ciro Ángel; Alvarez, Mario Moisés; Di Maio, Ernesto; Iannace, Salvatore

    2015-01-01

    Background Foams are high porosity and low density materials. In nature, they are a common architecture. Some of their relevant technological applications include heat and sound insulation, lightweight materials, and tissue engineering scaffolds. Foams derived from natural polymers are particularly attractive for tissue culture due to their biodegradability and bio-compatibility. Here, the foaming potential of an extensive list of materials was assayed, including slabs elaborated from whole flour, the starch component only, or the protein fraction only of maize seeds. Methodology/Principal Findings We used supercritical CO2 to produce foams from thermoplasticized maize derived materials. Polyethylene-glycol, sorbitol/glycerol, or urea/formamide were used as plasticizers. We report expansion ratios, porosities, average pore sizes, pore morphologies, and pore size distributions for these materials. High porosity foams were obtained from zein thermoplasticized with polyethylene glycol, and from starch thermoplasticized with urea/formamide. Zein foams had a higher porosity than starch foams (88% and 85%, respectively) and a narrower and more evenly distributed pore size. Starch foams exhibited a wider span of pore sizes and a larger average pore size than zein (208.84 vs. 55.43 μm2, respectively). Proof-of-concept cell culture experiments confirmed that mouse fibroblasts (NIH 3T3) and two different prostate cancer cell lines (22RV1, DU145) attached to and proliferated on zein foams. Conclusions/Significance We conducted screening and proof-of-concept experiments on the fabrication of foams from cereal-based bioplastics. We propose that a key indicator of foamability is the strain at break of the materials to be foamed (as calculated from stress vs. strain rate curves). Zein foams exhibit attractive properties (average pore size, pore size distribution, and porosity) for cell culture applications; we were able to establish and sustain mammalian cell cultures on zein

  8. Highly selective and stable carbon dioxide uptake in polyindole-derived microporous carbon materials.

    PubMed

    Saleh, Muhammad; Tiwari, Jitendra N; Kemp, K Christain; Yousuf, Muhammad; Kim, Kwang S

    2013-05-21

    Adsorption with solid sorbents is considered to be one of the most promising methods for the capture of carbon dioxide (CO₂) from power plant flue gases. In this study, microporous carbon materials used for CO₂ capture were synthesized by the chemical activation of polyindole nanofibers (PIF) at temperatures from 500 to 800 °C using KOH, which resulted in nitrogen (N)-doped carbon materials. The N-doped carbon materials were found to be microporous with an optimal adsorption pore size for CO₂ of 0.6 nm and a maximum (Brunauer-Emmett-Teller) BET surface area of 1185 m(2) g(-1). The PIF activated at 600 °C (PIF6) has a surface area of 527 m(2) g(-1) and a maximum CO₂ storage capacity of 3.2 mmol g(-1) at 25 °C and 1 bar. This high CO₂ uptake is attributed to its highly microporous character and optimum N content. Additionally, PIF6 material displays a high CO₂ uptake at low pressure (1.81 mmol g(-1) at 0.2 bar and 25 °C), which is the best low pressure CO₂ uptake reported for carbon-based materials. The adsorption capacity of this material remained remarkably stable even after 10 cycles. The isosteric heat of adsorption was calculated to be in the range of 42.7-24.1 kJ mol(-1). Besides the excellent CO₂ uptake and stability, PIF6 also exhibits high selectivity values for CO₂ over N₂, CH₄, and H₂ of 58.9, 12.3, and 101.1 at 25 °C, respectively, and these values are significantly higher than reported values.

  9. Polydopamine-Gelatin as Universal Cell-Interactive Coating for Methacrylate-Based Medical Device Packaging Materials: When Surface Chemistry Overrules Substrate Bulk Properties.

    PubMed

    Van De Walle, Elke; Van Nieuwenhove, Ine; Vanderleyden, Els; Declercq, Heidi; Gellynck, Karolien; Schaubroeck, David; Ottevaere, Heidi; Thienpont, Hugo; De Vos, Winnok H; Cornelissen, Maria; Van Vlierberghe, Sandra; Dubruel, Peter

    2016-01-11

    Despite its widespread application in the fields of ophthalmology, orthopedics, and dentistry and the stringent need for polymer packagings that induce in vivo tissue integration, the full potential of poly(methyl methacrylate) (PMMA) and its derivatives as medical device packaging material has not been explored yet. We therefore elaborated on the development of a universal coating for methacrylate-based materials that ideally should reveal cell-interactivity irrespective of the polymer substrate bulk properties. Within this perspective, the present work reports on the UV-induced synthesis of PMMA and its more flexible poly(ethylene glycol) (PEG)-based derivative (PMMAPEG) and its subsequent surface decoration using polydopamine (PDA) as well as PDA combined with gelatin B (Gel B). Successful application of both layers was confirmed by multiple surface characterization techniques. The cell interactivity of the materials was studied by performing live-dead assays and immunostainings of the cytoskeletal components of fibroblasts. It can be concluded that only the combination of PDA and Gel B yields materials possessing similar cell interactivities, irrespective of the physicochemical properties of the underlying substrate. The proposed coating outperforms both the PDA functionalized and the pristine polymer surfaces. A universal cell-interactive coating for methacrylate-based medical device packaging materials has thus been realized.

  10. Chemical Modeling of Acid-Base Properties of Soluble Biopolymers Derived from Municipal Waste Treatment Materials

    PubMed Central

    Tabasso, Silvia; Berto, Silvia; Rosato, Roberta; Tafur Marinos, Janeth Alicia; Ginepro, Marco; Zelano, Vincenzo; Daniele, Pier Giuseppe; Montoneri, Enzo

    2015-01-01

    This work reports a study of the proton-binding capacity of biopolymers obtained from different materials supplied by a municipal biowaste treatment plant located in Northern Italy. One material was the anaerobic fermentation digestate of the urban wastes organic humid fraction. The others were the compost of home and public gardening residues and the compost of the mix of the above residues, digestate and sewage sludge. These materials were hydrolyzed under alkaline conditions to yield the biopolymers by saponification. The biopolymers were characterized by 13C NMR spectroscopy, elemental analysis and potentiometric titration. The titration data were elaborated to attain chemical models for interpretation of the proton-binding capacity of the biopolymers obtaining the acidic sites concentrations and their protonation constants. The results obtained with the models and by NMR spectroscopy were elaborated together in order to better characterize the nature of the macromolecules. The chemical nature of the biopolymers was found dependent upon the nature of the sourcing materials. PMID:25658795

  11. Chemical modeling of acid-base properties of soluble biopolymers derived from municipal waste treatment materials.

    PubMed

    Tabasso, Silvia; Berto, Silvia; Rosato, Roberta; Marinos, Janeth Alicia Tafur; Ginepro, Marco; Zelano, Vincenzo; Daniele, Pier Giuseppe; Montoneri, Enzo

    2015-01-01

    This work reports a study of the proton-binding capacity of biopolymers obtained from different materials supplied by a municipal biowaste treatment plant located in Northern Italy. One material was the anaerobic fermentation digestate of the urban wastes organic humid fraction. The others were the compost of home and public gardening residues and the compost of the mix of the above residues, digestate and sewage sludge. These materials were hydrolyzed under alkaline conditions to yield the biopolymers by saponification. The biopolymers were characterized by 13C NMR spectroscopy, elemental analysis and potentiometric titration. The titration data were elaborated to attain chemical models for interpretation of the proton-binding capacity of the biopolymers obtaining the acidic sites concentrations and their protonation constants. The results obtained with the models and by NMR spectroscopy were elaborated together in order to better characterize the nature of the macromolecules. The chemical nature of the biopolymers was found dependent upon the nature of the sourcing materials. PMID:25658795

  12. Characterization and Hydrodesulfurization Properties of Catalysts Derived from Amorphous Metal-Boron Materials

    SciTech Connect

    Parks,G.; Pease, M.; Burns, A.; Layman, K.; Bussell, M.; Wang, X.; Hanson, J.; Rodriquez, J.

    2007-01-01

    Unsupported and silica-supported amorphous metal-boron materials (Ni-B, Mo-O-B, and Ni-Mo-O-B) were prepared by NaBH{sub 4} reduction of aqueous or impregnated metal salts. The resulting materials were characterized by a range of techniques, including conventional and time-resolved X-ray diffraction. The latter technique was used to determine the onset of crystallization of the amorphous materials during annealing in He flow and to identify the phases formed. Annealing of unsupported Ni-B resulted in the crystallization of predominantly Ni{sub 3}B, followed by Ni metal, whereas Ni-B/SiO{sub 2} formed Ni and then NiO. There was no evidence for crystallization of B-containing phases for Mo-O-B or Mo-O-B/SiO{sub 2} on annealing; instead, the predominant phase formed was MoO{sub 2}. In general, the phases formed for Ni-Mo-O-B and Ni-Mo-O-B/SiO2 were consistent with those formed in the monometallic materials, but at higher annealing temperatures. Catalysts prepared by sulfiding Ni-B/SiO{sub 2} and Ni-Mo-O-B/SiO{sub 2} materials had significantly higher thiophene HDS activities than conventionally prepared sulfided Ni/SiO2 and Ni-Mo/SiO{sub 2} catalysts, whereas a sulfided Mo-O-B/SiO{sub 2} catalyst had a dramatically lower HDS activity than a sulfided Mo/SiO{sub 2} catalyst.

  13. Heat conduction in nanoscale materials: a statistical-mechanics derivation of the local heat flux.

    PubMed

    Li, Xiantao

    2014-09-01

    We derive a coarse-grained model for heat conduction in nanoscale mechanical systems. Starting with an all-atom description, this approach yields a reduced model, in the form of conservation laws of momentum and energy. The model closure is accomplished by introducing a quasilocal thermodynamic equilibrium, followed by a linear response approximation. Of particular interest is the constitutive relation for the heat flux, which is expressed nonlocally in terms of the spatial and temporal variation of the temperature. Nanowires made of copper and silicon are presented as examples. PMID:25314400

  14. Graded porous inorganic materials derived from self-assembled block copolymer templates

    NASA Astrophysics Data System (ADS)

    Gu, Yibei; Werner, Jörg G.; Dorin, Rachel M.; Robbins, Spencer W.; Wiesner, Ulrich

    2015-03-01

    Graded porous inorganic materials directed by macromolecular self-assembly are expected to offer unique structural platforms relative to conventional porous inorganic materials. Their preparation to date remains a challenge, however, based on the sparsity of viable synthetic self-assembly pathways to control structural asymmetry. Here we demonstrate the fabrication of graded porous carbon, metal, and metal oxide film structures from self-assembled block copolymer templates by using various backfilling techniques in combination with thermal treatments for template removal and chemical transformations. The asymmetric inorganic structures display mesopores in the film top layers and a gradual pore size increase along the film normal in the macroporous sponge-like support structure. Substructure walls between macropores are themselves mesoporous, constituting a structural hierarchy in addition to the pore gradation. Final graded structures can be tailored by tuning casting conditions of self-assembled templates as well as the backfilling processes. We expect that these graded porous inorganic materials may find use in applications including separation, catalysis, biomedical implants, and energy conversion and storage.Graded porous inorganic materials directed by macromolecular self-assembly are expected to offer unique structural platforms relative to conventional porous inorganic materials. Their preparation to date remains a challenge, however, based on the sparsity of viable synthetic self-assembly pathways to control structural asymmetry. Here we demonstrate the fabrication of graded porous carbon, metal, and metal oxide film structures from self-assembled block copolymer templates by using various backfilling techniques in combination with thermal treatments for template removal and chemical transformations. The asymmetric inorganic structures display mesopores in the film top layers and a gradual pore size increase along the film normal in the macroporous sponge

  15. Transmission FTIR derivative spectroscopy for estimation of furosemide in raw material and tablet dosage form.

    PubMed

    Gallignani, Máximo; Rondón, Rebeca A; Ovalles, José F; Brunetto, María R

    2014-10-01

    A Fourier transform infrared derivative spectroscopy (FTIR-DS) method has been developed for determining furosemide (FUR) in pharmaceutical solid dosage form. The method involves the extraction of FUR from tablets with N,N-dimethylformamide by sonication and direct measurement in liquid phase mode using a reduced path length cell. In general, the spectra were measured in transmission mode and the equipment was configured to collect a spectrum at 4 cm(-1) resolution and a 13 s collection time (10 scans co-added). The spectra were collected between 1400 cm(-1) and 450 cm(-1). Derivative spectroscopy was used for data processing and quantitative measurement using the peak area of the second order spectrum of the major spectral band found at 1165 cm(-1) (SO2 stretching of FUR) with baseline correction. The method fulfilled most validation requirements in the 2 mg/mL and 20 mg/mL range, with a 0.9998 coefficient of determination obtained by simple calibration model, and a general coefficient of variation <2%. The mean recovery for the proposed assay method resulted within the (100±3)% over the 80%-120% range of the target concentration. The results agree with a pharmacopoeial method and, therefore, could be considered interchangeable.

  16. Transmission FTIR derivative spectroscopy for estimation of furosemide in raw material and tablet dosage form

    PubMed Central

    Gallignani, Máximo; Rondón, Rebeca A.; Ovalles, José F.; Brunetto, María R.

    2014-01-01

    A Fourier transform infrared derivative spectroscopy (FTIR-DS) method has been developed for determining furosemide (FUR) in pharmaceutical solid dosage form. The method involves the extraction of FUR from tablets with N,N-dimethylformamide by sonication and direct measurement in liquid phase mode using a reduced path length cell. In general, the spectra were measured in transmission mode and the equipment was configured to collect a spectrum at 4 cm−1 resolution and a 13 s collection time (10 scans co-added). The spectra were collected between 1400 cm−1 and 450 cm−1. Derivative spectroscopy was used for data processing and quantitative measurement using the peak area of the second order spectrum of the major spectral band found at 1165 cm−1 (SO2 stretching of FUR) with baseline correction. The method fulfilled most validation requirements in the 2 mg/mL and 20 mg/mL range, with a 0.9998 coefficient of determination obtained by simple calibration model, and a general coefficient of variation <2%. The mean recovery for the proposed assay method resulted within the (100±3)% over the 80%–120% range of the target concentration. The results agree with a pharmacopoeial method and, therefore, could be considered interchangeable. PMID:26579407

  17. Cytotoxicity study of novel water-soluble chitosan derivatives applied as membrane material of alginate microcapsules.

    PubMed

    Sobol, Marcin; Bartkowiak, Artur; de Haan, Bart; de Vos, Paul

    2013-07-01

    The majority of cell encapsulation systems applied so far are based on polyelectrolyte complexes of alginate and polyvalent metal cations. Although widely used, these systems suffer from the risk of disintegration. This can be partially solved by applying chitosan as additional outer membrane. However, chitosan can be dissolved in water only at a low pH, which limits its use in the field of bioencapsulation. In this study, novel primary and tertiary amine chitosan derivatives have been synthesized, which may be dissolved at pH 7.0, and retain the ability to effectively form additional membrane on the surface of alginate beads. As aqueous solutions tertiary amines dimethylamino-1-propyl-chitosan and dimethylethylamine-chitosan with linear hydrochloride aliphatic chains had the lowest toxicity, whereas dimethylpropylamine-chitosan, diethylaminoethyl-chitosan, and diisopropylaminoethyl-chitosan with branched hydrochloride aliphatic were cytotoxic to the majority of tested cells. When applied as polyelectrolyte complexation agent on the surface of alginate beads, none of the derivates had any negative effect on the metabolic activity of encapsulated beta-cells. PMID:23203606

  18. Materials testing in a gas turbine operating on coal-derived gas. Final report

    SciTech Connect

    White, R.J.; Lyell, G.D.

    1992-11-01

    An aero derived gas turbine engine, the Olympus SK30 ran for 1166 hours on coal derived (slagger) gas at the British Gas site at Westfield, Fife, Scotland. Slagger gas is low in calorific value and high in sulphur content. A ``rainbow`` HP turbine assembly, with a range of corrosion protective overlay coatings on both the vanes and blades was installed to evaluate the protection offered by the various coatings against the highly sulphurous slagger gas. A detailed metallurgical inspection was carried out on a random selection of the coated vanes and blades. None of the components examined showed evidence of any serious erosion. It was concluded that the operating time was too short to cause extensive damage to the coatings. However, the various coatings showed different degrees of degradation and may be ranked as follows: 1. Platinum Aluminide, LDC-2E, 2. Platinum Aluminide, RT22A, 3. Pack Aluminide, 4. EB-PVD* Coating Co-29Cr-5Al-O.34Y, GT-29, 5. EB-PVD* Coating Co-23Cr-lOA1-0.34Y, BC-21 Electron Beam-Plasma Vapour Deposit.

  19. Materials testing in a gas turbine operating on coal-derived gas

    SciTech Connect

    White, R.J.; Lyell, G.D. )

    1992-11-01

    An aero derived gas turbine engine, the Olympus SK30 ran for 1166 hours on coal derived (slagger) gas at the British Gas site at Westfield, Fife, Scotland. Slagger gas is low in calorific value and high in sulphur content. A rainbow'' HP turbine assembly, with a range of corrosion protective overlay coatings on both the vanes and blades was installed to evaluate the protection offered by the various coatings against the highly sulphurous slagger gas. A detailed metallurgical inspection was carried out on a random selection of the coated vanes and blades. None of the components examined showed evidence of any serious erosion. It was concluded that the operating time was too short to cause extensive damage to the coatings. However, the various coatings showed different degrees of degradation and may be ranked as follows: 1. Platinum Aluminide, LDC-2E, 2. Platinum Aluminide, RT22A, 3. Pack Aluminide, 4. EB-PVD* Coating Co-29Cr-5Al-O.34Y, GT-29, 5. EB-PVD* Coating Co-23Cr-lOA1-0.34Y, BC-21 Electron Beam-Plasma Vapour Deposit.

  20. Variational principles for linear and nonlinear mixtures: New derivations and application to bilinear materials and yield behavior

    NASA Astrophysics Data System (ADS)

    Alqaraleh, Sahar Mubarak

    2006-04-01

    We study in this paper the effective energy potential of nonlinear composites in terms of the corresponding energy potential for linear material. We study this for power law material using Suquet's variational principle, for bilinear material using Ponte Castaneda variational principle, and we studied the yield behavior as limiting cases of both. We show that three established variational principles can be derived from the Cauchy-Buniakowski-Schwartz inequality; these variational principles (bounds) are: (a) bounds on yield behavior of mixtures, (b) The Hashin-Shtrikman variational principle for linear materials, (c) The Debotton and Ponte Castaneda bound for power-law polycrystals. We also compute the actual stress and strain fields for laminate material for two choices of the average strain, and compute a bound on the effective potential for spherical inclusions using Hashin's linear bound, as well as for spheroidal inclusions using Willis's linear bound. We obtained bounds sharper than the established bounds for both laminate and aligned ellipsoids geometry, and we investigate also how the bound depends on the specified geometry and on specific parameters of the problem.

  1. Exploring the synthesis of hexaborides: The basis of a new chemistry for the preparation of electro-optical materials

    NASA Astrophysics Data System (ADS)

    Kanakala, Raghunath

    Magnetic, electric, and physical properties, of the rare earth metal borides are of special interest. The covalent bonding between the boron atoms in these materials imparts a great strength, stability, and high melting point to these borides. LaB6 finds additional applications as an electron emission material in the cathode units of electron microscopes, which need point sources for formation of the electron beam with high current density. Also, thin films of LaB6 are potential candidates for plasma devices because of the high secondary electron emission coefficient. Thus, the main aim of this research was to synthesize LaB6, SmB6, and YB6, materials through a simple and easy to scale up combustion process. To the best of our knowledge, this is the first report of a low temperature combustion synthesis method for producing rare-earth hexaboride materials. We have performed an in-depth exploration of the ideal processing conditions for the synthesis of hexaboride materials using easy to handle chemicals and low processing temperatures via combustion synthesis. Previous reports on the synthesis of hexaboride materials makes use of highly toxic and dangerous gases as precursor materials. Thus, our technique is superior to any other chemical schemes for producing hexaboride materials. In this project, different precursors were used in the experiments in order to explore reaction mechanisms. Boron powders from Sigma-Aldrich, which had an average particle size of 1--5 mum, and boron powders from Noval Industrial Group, which had an average particle size around 500 nm, were used. The final results showed that boride materials synthesized using the boron from Noval Industrial Group yielded highly unagglomerated powders, although the average particle size is similar to that of the powders synthesized using the boron from Sigma-Aldrich. Combustion synthesis without water and with gradual heating of the powders yielded the best results. The powders in the as

  2. Carbon derived from Dosmostachya bipinnata (Dharba grass): A novel material for supercapacitors

    NASA Astrophysics Data System (ADS)

    Maheswari, N.; Nagamuthu, S.; Savithiri, V.; Muralidharan, G.

    2016-05-01

    Low cost carbon material was produced from Dosmostachya bipinnata (Dharba grass) through thermal decomposition method. Ghee was used as the carbonizing agent and the prepared material was carbonized at 500 °C for 3 h. Structural studies have been made through FTIR and SEM analysis. The electrochemical performance of the carbonized sample was analyzed via cyclic voltammetry, charge-discharge and electrochemical impedance analysis using 0.5 M Na2SO4 in PVA gel electrolyte. The highest specific capacitance of 215 F g-1 was obtained at a scan rate of 25 mV s-1. The excellent cyclic stability of 98 % after 500 continuous cycles could be observed. Based on the electrochemical performance and ease of production of carbon obtained from Dosmostachya bipinnata, it is suggested as a suitable candidate for supercapacitor applications.

  3. Facile Synthesis of Prussian Blue Derivate-Modified Mesoporous Material via Photoinitiated Thiol-Ene Click Reaction for Cesium Adsorption.

    PubMed

    Qian, Jun; Ma, Jiaqi; He, Weiwei; Hua, Daoben

    2015-08-01

    A novel strategy to synthesize a functional mesoporous material for efficient removal of cesium is reported. Specifically, Prussian blue derivate-modified SBA-15 (SBA-15@FC) was prepared by photoinitiated thiol-ene reaction between thiol-modified SBA-15 and pentacyano(4-vinyl pyridine)ferrate complex. The effects of weight percentage of the Prussian blue derivate, pH, adsorbent dose, co-existing ions, and initial concentration were evaluated on the adsorption of cesium ions. The adsorption kinetically follows a pseudo-second-order model and reaches equilibrium within 2 h with a high adsorption capacity of about 13.90 mg Cs g(-1) , which indicates that SBA-15@FC is a promising adsorbent to effectively remove cesium from aqueous solutions.

  4. Ethical and legal considerations regarding the ownership and commercial use of human biological materials and their derivatives

    PubMed Central

    Petrini, Carlo

    2012-01-01

    This article considers some of the ethical and legal issues relating to the ownership and use – including for commercial purposes – of biological material and products derived from humans. The discussion is divided into three parts: after first examining the general notion of ownership, it moves to the particular case of possible commercial use, and finally reflects on the case in point in the light of the preceding considerations. Units of cord blood donated altruistically for transplantation and which are found unsuitable for storage and transplantation, or which become unsuitable while stored in biobanks, are taken as an example. These cord-blood units can be discarded together with other biological waste, or they can be used for research or the development of blood-derived products such as platelet gel. Several ethical questions (eg, informed consent, property, distribution of profits, and others) arise from these circumstances. In this regard, some criteria and limits to use are proposed. PMID:22977316

  5. Food safety concerns deriving from the use of silver based food packaging materials.

    PubMed

    Pezzuto, Alessandra; Losasso, Carmen; Mancin, Marzia; Gallocchio, Federica; Piovesana, Alessia; Binato, Giovanni; Gallina, Albino; Marangon, Alberto; Mioni, Renzo; Favretti, Michela; Ricci, Antonia

    2015-01-01

    The formulation of innovative packaging solutions, exerting a functional antimicrobial role in slowing down food spoilage, is expected to have a significant impact on the food industry, allowing both the maintenance of food safety criteria for longer periods and the reduction of food waste. Different materials are considered able to exert the required antimicrobial activity, among which are materials containing silver. However, challenges exist in the application of silver to food contact materials due to knowledge gaps in the production of ingredients, stability of delivery systems in food matrices and health risks caused by the same properties which also offer the benefits. Aims of the present study were to test the effectiveness and suitability of two packaging systems, one of which contained silver, for packaging and storing Stracchino cheese, a typical Italian fresh cheese, and to investigate if there was any potential for consumers to be exposed to silver, via migration from the packaging to the cheese. Results did not show any significant difference in the effectiveness of the packaging systems on packaged Stracchino cheese, excluding that the active packaging systems exerted an inhibitory effect on the growth of spoilage microorganisms. Moreover, silver migrated into the cheese matrix throughout the storage time (24 days). Silver levels in cheese finally exceeded the maximum established level for the migration of a non-authorised substance through a functional barrier (Commission of the European Communities, 2009). This result poses safety concerns and strongly suggests the need for more research aimed at better characterizing the new packaging materials in terms of their potential impacts on human health and the environment.

  6. Food safety concerns deriving from the use of silver based food packaging materials

    PubMed Central

    Pezzuto, Alessandra; Losasso, Carmen; Mancin, Marzia; Gallocchio, Federica; Piovesana, Alessia; Binato, Giovanni; Gallina, Albino; Marangon, Alberto; Mioni, Renzo; Favretti, Michela; Ricci, Antonia

    2015-01-01

    The formulation of innovative packaging solutions, exerting a functional antimicrobial role in slowing down food spoilage, is expected to have a significant impact on the food industry, allowing both the maintenance of food safety criteria for longer periods and the reduction of food waste. Different materials are considered able to exert the required antimicrobial activity, among which are materials containing silver. However, challenges exist in the application of silver to food contact materials due to knowledge gaps in the production of ingredients, stability of delivery systems in food matrices and health risks caused by the same properties which also offer the benefits. Aims of the present study were to test the effectiveness and suitability of two packaging systems, one of which contained silver, for packaging and storing Stracchino cheese, a typical Italian fresh cheese, and to investigate if there was any potential for consumers to be exposed to silver, via migration from the packaging to the cheese. Results did not show any significant difference in the effectiveness of the packaging systems on packaged Stracchino cheese, excluding that the active packaging systems exerted an inhibitory effect on the growth of spoilage microorganisms. Moreover, silver migrated into the cheese matrix throughout the storage time (24 days). Silver levels in cheese finally exceeded the maximum established level for the migration of a non-authorised substance through a functional barrier (Commission of the European Communities, 2009). This result poses safety concerns and strongly suggests the need for more research aimed at better characterizing the new packaging materials in terms of their potential impacts on human health and the environment. PMID:26500642

  7. Food safety concerns deriving from the use of silver based food packaging materials.

    PubMed

    Pezzuto, Alessandra; Losasso, Carmen; Mancin, Marzia; Gallocchio, Federica; Piovesana, Alessia; Binato, Giovanni; Gallina, Albino; Marangon, Alberto; Mioni, Renzo; Favretti, Michela; Ricci, Antonia

    2015-01-01

    The formulation of innovative packaging solutions, exerting a functional antimicrobial role in slowing down food spoilage, is expected to have a significant impact on the food industry, allowing both the maintenance of food safety criteria for longer periods and the reduction of food waste. Different materials are considered able to exert the required antimicrobial activity, among which are materials containing silver. However, challenges exist in the application of silver to food contact materials due to knowledge gaps in the production of ingredients, stability of delivery systems in food matrices and health risks caused by the same properties which also offer the benefits. Aims of the present study were to test the effectiveness and suitability of two packaging systems, one of which contained silver, for packaging and storing Stracchino cheese, a typical Italian fresh cheese, and to investigate if there was any potential for consumers to be exposed to silver, via migration from the packaging to the cheese. Results did not show any significant difference in the effectiveness of the packaging systems on packaged Stracchino cheese, excluding that the active packaging systems exerted an inhibitory effect on the growth of spoilage microorganisms. Moreover, silver migrated into the cheese matrix throughout the storage time (24 days). Silver levels in cheese finally exceeded the maximum established level for the migration of a non-authorised substance through a functional barrier (Commission of the European Communities, 2009). This result poses safety concerns and strongly suggests the need for more research aimed at better characterizing the new packaging materials in terms of their potential impacts on human health and the environment. PMID:26500642

  8. Preparation of energy storage material derived from a used cigarette filter for a supercapacitor electrode

    NASA Astrophysics Data System (ADS)

    Lee, Minzae; Kim, Gil-Pyo; Song, Hyeon Don; Park, Soomin; Yi, Jongheop

    2014-08-01

    We report on a one-step method for preparing nitrogen doped (N-doped) meso-/microporous hybrid carbon material (NCF) via the heat treatment of used cigarette filters under a nitrogen-containing atmosphere. The used cigarette filter, which is mostly composed of cellulose acetate fibers, can be transformed into a porous carbon material that contains both the mesopores and micropores spontaneously. The unique self-developed pore structure allowed a favorable pathway for electrolyte permeation and contact probability, resulting in the extended rate capability for the supercapacitor. The NCF exhibited a better rate capability and higher specific capacitance (153.8 F g-1) compared to that of conventional activated carbon (125.0 F g-1) at 1 A g-1. These findings indicate that the synergistic combination of well-developed meso-/micropores, an enlarged surface area and pseudocapacitive behavior leads to the desired supercapacitive performance. The prepared carbon material is capable of reproducing its electrochemical performance during the 6000 cycles required for charge and discharge measurements.

  9. Materials derived from synthetic organo-clay complexes as novel hydrodesulfurization catalyst supports.

    SciTech Connect

    Carrado, K. A.; Marshall, C. L.; Brenner, J. R.; Song, K.; Chemistry

    1998-01-01

    A series of mesoporous synthetic organo-clay complexes has been prepared by hydrothermal crystallization of gels containing silica, magnesium hydroxide, lithium fluoride, and an organic of choice, followed by calcination to remove the organics. The organic serves to impart structural order to the inorganic network that does not disappear upon its removal. The choice of organic modifier can be used to control the pore structure of the resulting mesoporous materials. Pore size distributions appear in some cases to be related to the type of polymer packing upon clay formation in situ. These materials are being explored as Co Mo hydrodesulfurization (HDS) catalyst supports. Preliminary HDS results show performance commensurate with commercial catalysis for the mesoporous materials when a model heavy oil feed is used (1 wt% S as dibenzothiophene in hexadecane). Temperature programmed reduction experiments of used catalysts suggest a relationship between HDS activity and ease of reduction of the CoMo/clay catalysts. Reactivity of the CoMo clay also correlates with the percentage of mesopore volume remaining after reaction. Losses in mesopore volume are largely recouped by recalcination, suggesting that reversible coke is formed inside the pore structure of clays faster than inside conventional alumina.

  10. Flexible EMI shielding materials derived by melt blending PVDF and ionic liquid modified MWNTs

    NASA Astrophysics Data System (ADS)

    Sharma, Maya; Sharma, Sukanya; Abraham, Jiji; Thomas, Sabu; Madras, Giridhar; Bose, Suryasarathi

    2014-09-01

    Nano composites of PVDF with ionic liquid [EMIM][TF2N] (IL) modified MWNTs were prepared by melt blending to design materials for EMI shielding applications. MWNTs and IL were mixed in two different ratios (1:1 and 1:5) to facilitate better dispersion of MWNTs in PVDF. It was observed that non-covalent interactions between IL and PVDF resulted in a better dispersion of CNTs and was consistent with increasing concentration of IL. Interestingly, IL modified MWNTs induced the formation of γ-phase crystals in PVDF, which was further confirmed by XRD, FTIR and DSC. Melt rheological measurements and DSC analysis revealed the plasticization effect of IL in PVDF composites further manifesting in a decrease in the storage modulus and the glass transition temperature. This phenomenal effect presumably led to better dispersion of IL modified MWNTs in PVDF further resulting in a significant improvement in electrical conductivity and structural properties. More interestingly, the elongational properties in the composites improved with IL modified MWNTs in striking contrast to MWNT filled PVDF composites. The ac conductivity of the composites reached about 10-3 S cm-1 with the addition of 2 wt% IL modified MWNTs (1:1). This further led to a high electro-magnetic interference (EMI) shielding effectiveness of about 20 dB at 2 wt% IL modified MWNTs. Such materials can further be explored for flexible, lightweight EMI shielding materials for a wide range of operating frequency.

  11. Extreme thermodynamic conditions: novel stoichiometries, violations of textbook chemistry, and intriguing possibilities for the synthesis of new materials

    NASA Astrophysics Data System (ADS)

    Stavrou, Elissaios

    As evidenced by numerous experimental and theoretical studies, application of high pressure can dramatically modify the atomic arrangement and electronic structures of both elements and compounds. However, the great majority of research has been focused on the effect of pressure on compounds with constant stoichiometries (typically those stable under ambient conditions). Recent theoretical predictions, using advanced search algorithms, suggest that composition is another important variable in the search for stable compounds, i.e. that the more stable stoichiometry at elevated pressures is not a priory the same as that at ambient pressure. Indeed, thermodynamically stable compounds with novel compositions were theoretically predicted and experimentally verified even in relatively simple chemical systems including: Na-Cl, C-N, Li-H, Na-H, Cs-N, H-N, Na-He, Xe-Fe. These materials are stable due to the formation of novel chemical bonds that are absent, or even forbidden, at ambient conditions. Tuning the composition of the system thus represents another important, but poorly explored approach to the synthesis of novel materials. By varying the stoichiometry one can design novel materials with enhanced properties (e.g. high energy density, hardness, superconductivity etc.), that are metastable at ambient conditions and synthesized at thermodynamic conditions less extreme than that those required for known stoichiometries. Moreover, current outstanding questions, ``anomalies'' and ``paradoxes'' in geo- and planetary science (e.g. the Xenon paradox) could be addressed based on the stability of surprising, stoichiometries that challenge our traditional ``textbook'' picture. In this talk, I will briefly present recent results and highlight the need of close synergy between experimental and theoretical efforts to understand the challenging and complex field of variable stoichiometry under pressure. Finally, possible new routes for the synthesis of novel materials will be

  12. Chemistry of Meridiani Outcrops

    NASA Technical Reports Server (NTRS)

    Clark, B. C.; Squyres, S. W.; Ming, D. W.; Morris, R. V.; Yen, A.; Gellert, R.; Knoll, A.H.; Arvidson, R. E.

    2006-01-01

    The chemistry and mineralogy of the sulfate-rich sandstone outcrops at Meridiani Planum, Mars, have been inferred from data obtained by the Opportunity rover of the MER mission and reported in recent publications [1-6]. Here, we provide an update on more recent samples and results derived from this extensive data set.

  13. Crystal chemistry of uranium (V) and plutonium (IV) in a titanate ceramic for disposition of surplus fissile material

    NASA Astrophysics Data System (ADS)

    Fortner, J. A.; Kropf, A. J.; Finch, R. J.; Bakel, A. J.; Hash, M. C.; Chamberlain, D. B.

    2002-07-01

    We report X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine-structure (EXAFS) spectra for the plutonium LIII and uranium LIII edges in titanate pyrochlore ceramic. The titanate ceramics studied are of the type proposed to serve as a matrix for the immobilization of surplus fissile materials. The samples studied contain approximately 10 wt% fissile plutonium and 20 wt% natural uranium, and are representative of material within the planned production envelope. Based upon natural analogue models, it had been previously assumed that both uranium and plutonium would occupy the calcium site in the pyrochlore crystal structure. While the XANES and EXAFS signals from the plutonium LIII are consistent with this substitution into the calcium site within pyrochlore, the uranium XANES is characteristic of pentavalent uranium. Furthermore, the EXAFS signal from the uranium has a distinct oxygen coordination shell at 2.07 Å and a total oxygen coordination of about 6, which is inconsistent with the calcium site. These combined EXAFS and XANES results provide the first evidence of substantial pentavalent uranium in an octahedral site in pyrochlore. This may also explain the copious nucleation of rutile (TiO 2) precipitates commonly observed in these materials as uranium displaces titanium from the octahedral sites.

  14. Study of High Etch Rate Bottom Antireflective Coating and Gap Fill Materials Using Dextrin Derivatives in ArF Lithography

    NASA Astrophysics Data System (ADS)

    Takei, Satoshi; Shinjo, Tetsuya; Sakaida, Yasushi

    2007-11-01

    In the present paper, we describe a novel class of bottom antireflective coating (BARC) and gap fill materials using dextrin with a-glycoside bonds in a polysaccharide. ArF resist underlayer materials containing a dextrin ester polymer for lithography were studied. Dextrin is a high molecular weight compound with several hydroxyl groups and a low solubility in resist and BARC solvents. Therefore, it is difficult to use dextrin polymers in resist underlayer materials such as BARC and gap fill materials. The main polymer needs to be soluble in propylene glycol monomethylether, propylene glycol monomethylether acetate, and ethyl lactate as common solvents to avoid the issue of defects in the coater cup due to incompatability. The dextrin ester polymer in this study was obtained by the esterification of the hydroxyl groups of dextrin resulting in improved solubility of these organic solvents. The etch rate of the new BARC and gap fill materials of the dextrin ester polymers was more than twofold faster than the etch rate of the ArF resists evaluated under a CF4 gas condition using reactive ion etching. The improved etch performance was also verified by comparison with poly(4-hydroxystyrene) and poly(2-hydroxypropyl methacrylate) as references. In addition to the superior etch performance, these materials showed good resist profiles and via filling performance without voids in via holes. On the basis of our findings, this technology of using the novel dextrin derivatives as sacrificial materials under a resist can be applied in devices of 45 nm node and higher.

  15. Absorption spectroscopy setup for determination of whole human blood and blood-derived materials spectral characteristics

    NASA Astrophysics Data System (ADS)

    Wróbel, M. S.; Gnyba, M.; Milewska, D.; Mitura, K.; Karpienko, K.

    2015-09-01

    A dedicated absorption spectroscopy system was set up using tungsten-halogen broadband source, optical fibers, sample holder, and a commercial spectrometer with CCD array. Analysis of noise present in the setup was carried out. Data processing was applied to the absorption spectra to reduce spectral noise, and improve the quality of the spectra and to remove the baseline level. The absorption spectra were measured for whole blood samples, separated components: plasma, saline, washed erythrocytes in saline and human whole blood with biomarkers - biocompatible nanodiamonds (ND). Blood samples had been derived from a number of healthy donors. The results prove a correct setup arrangement, with adequate preprocessing of the data. The results of blood-ND mixtures measurements show no toxic effect on blood cells, which proves the NDs as a potential biocompatible biomarkers.

  16. Carbon nanofibers derived from cellulose nanofibers as a long-life anode material for rechargeable sodium-ion batteries

    SciTech Connect

    Luo, W; Schardt, J; Bommier, C; Wang, B; Razink, J; Simonsen, J; Ji, XL

    2013-01-01

    A highly reversible anode is indispensable to the future success of sodium-ion batteries (SIBs). Herein, carbon nanofibers (CNFs) derived from cellulose nanofibers are investigated as an anode material for SIBs. The CNFs exhibit very promising electrochemical properties, including a high reversible capacity (255 mA h g(-1) at 40 mA g(-1)), good rate capability (85 mA h g(-1) at 2000 mA g(-1)), and excellent cycling stability (176 mA h g(-1) at 200 mA g(-1) over 600 cycles).

  17. Examples of reference material data needed for LBB analysis derived from WGCS-EC-DGXI studies

    SciTech Connect

    Petrequin, P.; Houssin, B.; Guinovart, J.

    1997-04-01

    Mechanical data collected through the sponsorship of the Activity Group 3 <<Materials>> of the Working Group Codes and Standards of DG XI European Commission are pointed out to illustrate their potential use for Leak Before Break analyses. Most of the tensile, fatigue, creep and fracture toughness data have been generated for stainless steels, mainly on modified type 316 L (N), selected for the Super Phoenix LMFBR. Trends for ongoing programs and future works on C-Mn and MnNiMo low alloy steels are provided.

  18. Ultrastructural and autoradiographic investigations of cell cultures derived from tendons or ligamentous material from patients with fibromatous disorders.

    PubMed

    Neumüller, J; Tohidast-Akrad, M; Ammer, K; Hakimzadeh, A; Stransky, G; Weis, S; Partsch, G; Eberl, R

    1988-01-01

    Cell cultures were derived from tendons or ligamentous material from patients with carpal tunnel syndrome (CTS), Dupuytren's contracture (DP), tendopathia nodosa (TN) and hallux valgus (HV). The ultrastructure of the operation specimens as well as of the cell monolayers was investigated, using a floating sheet method in order to preserve both cell-to-cell contacts and the orientation of the monolayers. The histologic features of the tissues obtained in the operations were correlated with the ultrastructure of the cells in culture derived from these specimens. In DP, above all in the nodules, an activation of the capillary endothelium in the vicinity of myofibroblasts and mast cells was observed. In CTS the collagen fibrils varied extremely in diameter. In DP and TN biopsies a splicing process of helicoidly arranged fibrils could be seen. A disintegration of elastic fibers in the fibrillar and amorphous components was found in DP nodules, HV and TN tissues. Transitional forms between fibroblasts and myofibroblasts were observed not only in DP but also-though in a smaller percentage--in the cultures derived from the other patients. The cells showed organelles for active protein synthesis and transport. Autophagocytosis and the formation of multilamellated bodies took place in TN and HV cultures. In CTS, DP and TN cultures cells were connected via gap junctions. In some cultures, above all in those derived from CTS, monocilia were found. In CTS cultures the formation of intracellular collagen occurred. Growth parameters were rather low in HV cultures. PLmax (maximal pulse labelling index) values were higher in TN cultures than in DP and HV cultures. Plating efficiency (PE) values were higher in cultures derived from cell-rich and capillarized tissues than in biopsies with few cells. PMID:3229549

  19. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Twelve new chemistry expermiments are described. Broad areas covered include atomic structure, solubility, gaseous diffusion, endothermic reactions, alcohols, equilibrium, atomic volumes, and some improvised apparatus. (PS)

  20. Magnetic materials at finite temperatures: thermodynamics and combined spin and molecular dynamics derived from first principles calculations

    SciTech Connect

    Eisenbach, Markus; Perera, Meewanage Dilina N.; Landau, David P; Nicholson, Don M.; Yin, Junqi; Brown, Greg

    2015-01-01

    We present a unified approach to describe the combined behavior of the atomic and magnetic degrees of freedom in magnetic materials. Using Monte Carlo simulations directly combined with first principles the Curie temperature can be obtained ab initio in good agreement with experimental values. The large scale constrained first principles calculations have been used to construct effective potentials for both the atomic and magnetic degrees of freedom that allow the unified study of influence of phonon-magnon coupling on the thermodynamics and dynamics of magnetic systems. The MC calculations predict the specific heat of iron in near perfect agreement with experimental results from 300K to above Tc and allow the identification of the importance of the magnon-phonon interaction at the phase-transition. Further Molecular Dynamics and Spin Dynamics calculations elucidate the dynamics of this coupling and open the potential for quantitative and predictive descriptions of dynamic structure factors in magnetic materials using first principles-derived simulations.

  1. Naturally occurring radionuclides in materials derived from urban water treatment plants in southeast Queensland, Australia.

    PubMed

    Kleinschmidt, Ross; Akber, Riaz

    2008-04-01

    An assessment of radiologically enhanced residual materials generated during treatment of domestic water supplies in southeast Queensland, Australia, was conducted. Radioactivity concentrations of U-238, Th-232, Ra-226, Rn-222, and Po-210 in water, sourced from both surface water catchments and groundwater resources were examined both pre- and post-treatment under typical water treatment operations. Surface water treatment processes included sedimentation, coagulation, flocculation and filtration, while the groundwater was treated using cation exchange, reverse osmosis, activated charcoal or methods similar to surface water treatment. Waste products generated as a result of treatment included sediments and sludges, filtration media, exhausted ion exchange resin, backwash and wastewaters. Elevated residual concentrations of radionuclides were identified in these waste products. The waste product activity concentrations were used to model the radiological impact of the materials when either utilised for beneficial purposes, or upon disposal. The results indicate that, under current water resource exploitation programs, reuse or disposal of the treatment wastes from large scale urban water treatment plants in Australia do not pose a significant radiological risk.

  2. Natural sisal fibers derived hierarchical porous activated carbon as capacitive material in lithium ion capacitor

    NASA Astrophysics Data System (ADS)

    Yang, Zhewei; Guo, Huajun; Li, Xinhai; Wang, Zhixing; Yan, Zhiliang; Wang, Yansen

    2016-10-01

    Lithium-ion capacitor (LIC) is a novel advanced electrochemical energy storage (EES) system bridging gap between lithium ion battery (LIB) and electrochemical capacitor (ECC). In this work, we report that sisal fiber activated carbon (SFAC) was synthesized by hydrothermal treatment followed by KOH activation and served as capacitive material in LIC for the first time. Different particle structure, morphology, specific surface area and heteroatoms affected the electrochemical performance of as-prepared materials and corresponding LICs. When the mass ratio of KOH to char precursor was 2, hierarchical porous structured SFAC-2 was prepared and exhibited moderate specific capacitance (103 F g-1 at 0.1 A g-1), superior rate capability and cyclic stability (88% capacity retention after 5000 cycles at 1 A g-1). The corresponding assembled LIC (LIC-SC2) with optimal comprehensive electrochemical performance, displayed the energy density of 83 Wh kg-1, the power density of 5718 W kg-1 and superior cyclic stability (92% energy density retention after 1000 cycles at 0.5 A g-1). It is worthwhile that the source for activated carbon is a natural and renewable one and the synthesis method is eco-friendly, which facilitate that hierarchical porous activated carbon has potential applications in the field of LIC and other energy storage systems.

  3. Microporous carbon derived from polyaniline base as anode material for lithium ion secondary battery

    SciTech Connect

    Xiang, Xiaoxia; Liu, Enhui; Huang, Zhengzheng; Shen, Haijie; Tian, Yingying; Xiao, Chengyi; Yang, Jingjing; Mao, Zhaohui

    2011-08-15

    Highlights: {yields} Nitrogen-containing microporous carbon was prepared from polyaniline base by K{sub 2}CO{sub 3} activation, and used as anode material for lithium ion secondary battery. {yields} K{sub 2}CO{sub 3} activation promotes the formation of amorphous and microporous structure. {yields} High nitrogen content, and large surface area with micropores lead to strong intercalation between carbon and lithium ion, and thus improve the lithium storage capacity. -- Abstract: Microporous carbon with large surface area was prepared from polyaniline base using K{sub 2}CO{sub 3} as an activating agent. The physicochemical properties of the carbon were characterized by scanning electron microscope, X-ray diffraction, Brunauer-Emmett-Teller, elemental analyses and X-ray photoelectron spectroscopy measurement. The electrochemical properties of the microporous carbon as anode material in lithium ion secondary battery were evaluated. The first discharge capacity of the microporous carbon was 1108 mAh g{sup -1}, whose first charge capacity was 624 mAh g{sup -1}, with a coulombic efficiency of 56.3%. After 20 cycling tests, the microporous carbon retains a reversible capacity of 603 mAh g{sup -1} at a current density of 100 mA g{sup -1}. These results clearly demonstrated the potential role of microporous carbon as anode for high capacity lithium ion secondary battery.

  4. Development of a new ferulic acid certified reference material for use in clinical chemistry and pharmaceutical analysis.

    PubMed

    Yang, Dezhi; Wang, Fengfeng; Zhang, Li; Gong, Ningbo; Lv, Yang

    2015-05-01

    This study compares the results of three certified methods, namely differential scanning calorimetry (DSC), the mass balance (MB) method and coulometric titrimetry (CT), in the purity assessment of ferulic acid certified reference material (CRM). Purity and expanded uncertainty as determined by the three methods were respectively 99.81%, 0.16%; 99.79%, 0.16%; and 99.81%, 0.26% with, in all cases, a coverage factor (k) of 2 (P=95%). The purity results are consistent indicating that the combination of DSC, the MB method and CT provides a confident assessment of the purity of suitable CRMs like ferulic acid. PMID:26579451

  5. Development of a new ferulic acid certified reference material for use in clinical chemistry and pharmaceutical analysis

    PubMed Central

    Yang, Dezhi; Wang, Fengfeng; Zhang, Li; Gong, Ningbo; Lv, Yang

    2015-01-01

    This study compares the results of three certified methods, namely differential scanning calorimetry (DSC), the mass balance (MB) method and coulometric titrimetry (CT), in the purity assessment of ferulic acid certified reference material (CRM). Purity and expanded uncertainty as determined by the three methods were respectively 99.81%, 0.16%; 99.79%, 0.16%; and 99.81%, 0.26% with, in all cases, a coverage factor (k) of 2 (P=95%). The purity results are consistent indicating that the combination of DSC, the MB method and CT provides a confident assessment of the purity of suitable CRMs like ferulic acid. PMID:26579451

  6. Modeling skills of pre-service chemistry teachers in predicting the structure and properties of inorganic chemistry compounds

    NASA Astrophysics Data System (ADS)

    Nursa'adah, Euis; Liliasari, Mudzakir, Ahmad

    2016-02-01

    The focus of chemistry is learning about the composition, properties, and transformations of matters. Modeling skills are required to comprehend structure and chemical composition in submicroscopic size. Modeling skills are abilities to produce chemical structure and to explain it into the macroscopic phenomenon and submicroscopic representations. Inorganic chemistry is a study of whole elements in the periodic table and their compounds, except carbon compounds and their derivatives. Knowledge about the structure and properties of chemical substances is a basic model for students in studying inorganic chemistry. Furthermore, students can design and produce to utilize materials needed in their life. This research aimed to describes modeling skills of pre-service chemistry teachers. In order, they are able to determine and synthesize useful materials. The results show that students' modeling skills were in a low level and unable connecting skill categories, even the models of inorganic compounds common. These phenomena indicated that students only describe each element when they learn inorganic chemistry. So that it will make modeling skills of students low. Later, another researches are necessary to develop learning design of inorganic chemistry based on good modeling skills of students.

  7. Temperature and Oxygen Sensing Properties of Ru(II) Covalently-Grafted Sol-Gel Derived Ormosil Hybrid Materials.

    PubMed

    Zhang, Haoran; Lei, Bingfu; Dong, Hanwu; Liu, Yingliang; Zheng, Mingtao; Xiao, Yong

    2016-04-01

    In this article, oxygen and temperature-sensing hybrid materials consisting of [Ru(Phen)3]2+ portions covalently-grafted onto the sol-gel derived ormosil network were prepared by co-condensation of tetraethoxysilane (TEOS) using n-octyltriethoxysilane as the network modifier. For comparison purposes, the hybrid materials in which [Ru(Phen)3]2+ were conventionally physically-incorporated into the matrix were also prepared. The obtained hybrid materials were characterized by Fourier transform infrared (FT-IR), luminescence intensity oxygen quenching Stern-Volmer plots, temperature quenching plots and excited-state lifetime. The near linear Stern-Volmer plots can be attributed to the approximate heterogeneous environment of the luminophore within the ormosil materials. The results reveal that the. covalently-grafted sample is more sensitive to 02, and has a higher sensing sensitivity and a higher thermal activation energy compared to the physically-incorporated one, since these Ru(II) molecules are strongly covalently-grafted onto the Si-O network via the CH2-Si bonds and less -OH group. PMID:27451760

  8. ZnO nanowires as effective luminescent sensing materials for nitroaromatic derivatives.

    PubMed

    Aad, Roy; Simic, Vesna; Le Cunff, Loïc; Rocha, Licinio; Sallet, Vincent; Sartel, Corinne; Lusson, Alain; Couteau, Christophe; Lerondel, Gilles

    2013-10-01

    We report on the efficient room-temperature photoluminescence (PL) quenching of ZnO in the presence of 2,4-dinitrotoluene (DNT) vapor and for concentration as low as 180 ppb. Compared to ZnO thin films, ZnO nanowires exhibit a strong (95%) and fast (41 s) quenching of the PL intensity in the presence of DNT vapor. Assuming that the PL quenching is due to a trapping of the ZnO excitons by adsorbed DNT molecules, Monte-Carlo calculations show that the nanometric dimensions as well as the better crystallographic quality (longer mean free path) of the ZnO nanowires result in an enhanced trapping process at the origin of the improved sensing properties of the nanowires. The results demonstrate the importance of nanostructures in improving the sensitivity of ZnO. The study also reveals the sensing capability of ZnO nanowires and paves the path towards the potential realization of low-cost sub-ppb nitroaromatic derivative sensors.

  9. ZnO nanowires as effective luminescent sensing materials for nitroaromatic derivatives

    NASA Astrophysics Data System (ADS)

    Aad, Roy; Simic, Vesna; Le Cunff, Loïc; Rocha, Licinio; Sallet, Vincent; Sartel, Corinne; Lusson, Alain; Couteau, Christophe; Lerondel, Gilles

    2013-09-01

    We report on the efficient room-temperature photoluminescence (PL) quenching of ZnO in the presence of 2,4-dinitrotoluene (DNT) vapor and for concentration as low as 180 ppb. Compared to ZnO thin films, ZnO nanowires exhibit a strong (95%) and fast (41 s) quenching of the PL intensity in the presence of DNT vapor. Assuming that the PL quenching is due to a trapping of the ZnO excitons by adsorbed DNT molecules, Monte-Carlo calculations show that the nanometric dimensions as well as the better crystallographic quality (longer mean free path) of the ZnO nanowires result in an enhanced trapping process at the origin of the improved sensing properties of the nanowires. The results demonstrate the importance of nanostructures in improving the sensitivity of ZnO. The study also reveals the sensing capability of ZnO nanowires and paves the path towards the potential realization of low-cost sub-ppb nitroaromatic derivative sensors.

  10. Risk assessment derived from migrants identified in several adhesives commonly used in food contact materials.

    PubMed

    Canellas, E; Vera, P; Nerín, C

    2015-01-01

    Adhesives are used to manufacture multilayer materials, where their components pass through the layers and migrate to the food. Nine different adhesives (acrylic, vinyl and hotmelt) and their migration in 21 laminates for future use as market samples have been evaluated and risk assessment has been carried out. A total of 75 volatiles and non volatile compounds were identified by gas chromatography-mass spectrometry and ultra-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry. Most of the compounds migrated below their specific migration limit (SML), lowest observed adverse effect level (LOAEL), no observed adverse effect level (NOAEL) and values recommended by Cramer. Six compounds classified as high toxicity class III according to Cramer classification, migrated over their SML and exposure values recommended by Cramer, when they were applied in the full area of the packaging. Nevertheless, these adhesives fulfill the threshold in the real application as they are applied in a small area of the packaging.

  11. Synthetic aggregate compositions derived from spent bed materials from fluidized bed combustion and fly ash

    DOEpatents

    Boyle, Michael J.

    1994-01-01

    Cementitious compositions useful as lightweight aggregates are formed from a blend of spent bed material from fluidized bed combustion and fly ash. The proportions of the blend are chosen so that ensuing reactions eliminate undesirable constituents. The blend is then mixed with water and formed into a shaped article. The shaped article is preferably either a pellet or a "brick" shape that is later crushed. The shaped articles are cured at ambient temperature while saturated with water. It has been found that if used sufficiently, the resulting aggregate will exhibit minimal dimensional change over time. The aggregate can be certified by also forming standardized test shapes, e.g., cylinders while forming the shaped articles and measuring the properties of the test shapes using standardized techniques including X-ray diffraction.

  12. Tunable electronic and magnetic properties of two‐dimensional materials and their one‐dimensional derivatives

    PubMed Central

    Zhang, Zhuhua; Liu, Xiaofei; Yu, Jin; Hang, Yang; Li, Yao; Guo, Yufeng; Xu, Ying; Sun, Xu; Zhou, Jianxin

    2016-01-01

    Low‐dimensional materials exhibit many exceptional properties and functionalities which can be efficiently tuned by externally applied force or fields. Here we review the current status of research on tuning the electronic and magnetic properties of low‐dimensional carbon, boron nitride, metal‐dichalcogenides, phosphorene nanomaterials by applied engineering strain, external electric field and interaction with substrates, etc, with particular focus on the progress of computational methods and studies. We highlight the similarities and differences of the property modulation among one‐ and two‐dimensional nanomaterials. Recent breakthroughs in experimental demonstration of the tunable functionalities in typical nanostructures are also presented. Finally, prospective and challenges for applying the tunable properties into functional devices are discussed. WIREs Comput Mol Sci 2016, 6:324–350. doi: 10.1002/wcms.1251 For further resources related to this article, please visit the WIREs website. Conflict of interest: The authors have declared no conflicts of interest for this article.

  13. Derivation of residual radioactive material guidelines for uranium in soil at the Middlesex Sampling Plant Site, Middlesex, New Jersey

    SciTech Connect

    Dunning, D.E.

    1995-02-01

    Residual radioactive material guidelines for uranium in soil were derived for the Middlesex Sampling Plant (MSP) site in Middlesex, New Jersey. This site has been designated for remedial action under the Formerly Utilized Sites Remedial Action Program (FUSRAP) of the US Department of Energy. The site became contaminated from operations conducted in support of the Manhattan Engineer District (MED) and the Atomic Energy Commission (AEC) between 1943 and 1967. Activities conducted at the site included sampling, storage, and shipment of uranium, thorium, and beryllium ores and residues. Uranium guidelines for single radioisotopes and total uranium were derived on the basis of the requirement that the 50-year committed effective dose equivalent to a hypothetical individual living or working in the immediate vicinity of the MSP site should not exceed a dose of 30 mrem/yr following remedial action for the current-use and likely future-use scenarios or a dose of 100 mrem/yr for less likely future-use scenarios. The RESRAD computer code, which implements the methodology described in the DOE manual for establishing residual radioactive material guidelines, was used in this evaluation. Four scenarios were considered for the site. These scenarios vary regarding future land use at the site, sources of water used, and sources of food consumed.

  14. Synthesis and Characteristics of Fullerene Derivatives with Hexyl Perylene Moieties as N-Type Materials in Organic Solar Cells.

    PubMed

    Han, Seong Hun; Kim, Gyu Min; Oh, Se Young

    2015-07-01

    Recently, fullerene derivatives have received significant attention due to their potential impacts on the development of high performance organic photovoltaic (OPV) cells. One of the most successful fullerene derivatives thus far is [6, 6]-phenyl-C61-butyric acid methyl ester (PCBM), which is being used as an electron acceptor material. However, PCBM has some disadvantages concerning its application in OPV cells, such as a weak absorption rate in the visible region and a relatively low LUMO level. In the present work, we synthesized a novel fullerene derivative, called hexyl perylene fullerene (HPF), which contains a hexyl perylene moiety. The HPF molecules showed two absorption peaks at 340 nm and 450 nm corresponding to the fullerene and to the perylene moiety, respectively. 1,8-octanedithiol was used as an additive to improve the compatibility between the poly(3-hexylthiophene) (P3HT) and the synthesized HPF The characteristics of an OPV cell composed of ITO/PEDOT:PSS/P3HT:HPF:1,8-octanedithiol/Al were investigated.

  15. Catalysis in service of main group chemistry offers a versatile approach to p-block molecules and materials.

    PubMed

    Leitao, Erin M; Jurca, Titel; Manners, Ian

    2013-10-01

    Catalytic reactions that enable the formation of new bonds to carbon centres play a pervasive role in the state-of-the-art synthesis of organic molecules and macromolecules. In contrast, the development of analogous processes as routes to main group compounds and materials has been much slower. Nevertheless, recent advances have led to a broad expansion of this field and now allow access to a wide range of catenated structures based on elements across the p block. These breakthroughs have already impacted areas such as hydrogen storage and transfer, functional inorganic polymers and ceramic thin films. Dehydrogenation and dehydrocoupling processes are particularly well developed and may be mediated by either transition metal or main group catalysts. Such pathways represent an increasingly attractive and convenient alternative to traditional routes, such as salt metathesis and reductive coupling reactions. An overview of this emerging area is presented in this Review with a focus on recent developments and future challenges. PMID:24056337

  16. Chemistry of the Materials Above and Below an Unconformity Between the Murray and Stimson Formations in Gale Crater, Mars

    NASA Astrophysics Data System (ADS)

    Newsom, H. E.; Belgacem, I.; Wiens, R. C.; Frydenvang, J.; Gasnault, O.; Maurice, S.; Gasda, P. J.; Clegg, S. M.; Cousin, A.; Rapin, W.; Jackson, R.; Vaci, Z.; Ha, B.; Blaney, D. L.; Bridges, N.; Francis, R.; Payré, V.; Gupta, S.; Banham, S.; Schroeder, J.; Calef, F. J., III; Edgett, K. S.; Fey, D.; Fisk, M. R.; Gellert, R.; Thompson, L. M.; Perrett, G. M.; Grotzinger, J. P.; Rubin, D. M.; Williams, A.; Kah, L. C.; Kronyak, R. E.

    2015-12-01

    MSL began investigating a contact between Murray formation, (fine grained lake deposits) and the younger Stimson formation at Marias Pass in May 2015, on the lower slopes of Mt. Sharp. Images show that the Murray formation, with numerous calcium sulfate veins compared to the Stimson, is truncated at an erosional contact. MAHLI images show a white layer a few mm thick at the contact that might be calcium sulfate. The lowermost beds of the Stimson unit in the Missoula area comprise horizontally laminated or cross-laminated sandstones. The sandstones are poorly sorted with floating granules and very coarse sand grains set in a fine- medium-grained sand 'matrix'. This material directly above the contact is a resistant, basal ledge-forming layer that also forms numerous blocks of float on top of the eroded Murray. This basal layer contains light toned fragments, possibly calcium sulfate, eroded from the Murray. The poor sorting and presence of sub-angular grains, together with the absence of preferential sorting into size sorted layers would seem to rule out eolian processes for the lowermost beds of the Stimson and suggest fluvial processes were responsible for deposition of these beds. For chemostratigraphy, the distance of each ChemCam or APXS observation above or below the contact was determined from images and the NavCam stereo mesh. The top of the Murray near the Missoula area is variable in composition, and additional analyses are planned to determine if weathering occurred at the eroded surface. Above the contact, the lowest 2 cm of the resistant slab is higher in SiO2, and lower in Al2O3, K2O and Na2O, relative to other Stimson analyses. In a few points with low totals, there is a correlation between Ca and missing components (presumed to be mostly S). These points could be connected to calcium sulfate in the form of cements and/or incorporation of eroded clasts of Murray vein materials.

  17. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Outlines laboratory procedures, demonstrations, teaching suggestions, and content information related to chemistry. Topics include polarizing power; calorimetry and momentum; microcomputers in school chemistry; a constant-volume dispenser for liquids, floating magnets, and crystal lattices; preparation of chromium; and solvent polarity and…

  18. Elemental composition of current automotive braking materials and derived air emission factors

    NASA Astrophysics Data System (ADS)

    Hulskotte, J. H. J.; Roskam, G. D.; Denier van der Gon, H. A. C.

    2014-12-01

    Wear-related PM emissions are an important constituent of total PM emissions from road transport. Due to ongoing (further) exhaust emission reduction wear emissions may become the dominant PM source from road transport in the near future. The chemical composition of the wear emissions is crucial information to assess the potential health relevance of these PM emissions. Here we provide an elemental composition profile of brake wear emissions as used in the Netherlands in 2012. In total, 65 spent brake pads and 15 brake discs were collected in car maintenance shops from in-use personal cars vehicles and analyzed with XRF for their metal composition (Fe, Cu, Zn, Sn, Al, Si, Zr, Ti, Sb, Cr, Mo, Mn, V, Ni, Bi, W, P, Pb and Co). Since car, engine and safety regulations are not nationally determined but controlled by European legislation the resulting profiles will be representative for the European personal car fleet. The brake pads contained Fe and Cu as the dominant metals but their ratio varied considerably, other relatively important metals were Sn, Zn and Sb. Overall a rather robust picture emerged with Fe, Cu, Zn and Sn together making up about 80-90% of the metals present in brake pads. Because the XRF did not give information on the contents of other material such as carbon, oxygen and sulphur, a representative selection of 9 brake pads was further analyzed by ICP-MS and a carbon and sulphur analyzer. The brake pads contained about 50% of non-metal material (26% C, 3% S and the remainder mostly oxygen and some magnesium). Based on our measurements, the average brake pad profile contained 20% Fe, 10% Cu, 4% Zn and 3% Sn as the dominant metals. The brake discs consisted almost entirely of metal with iron being the dominant metal (>95%) and only traces of other metals (<1% for individual metals). Non-metal components in the discs were 2-3% Silicon and, according to literature, ∼3% carbon. The robust ratio between Fe and Cu as found on kerbsides has been used to

  19. Effect of varying experimental conditions on the viscosity of α-pinene derived secondary organic material

    NASA Astrophysics Data System (ADS)

    Grayson, James W.; Zhang, Yue; Mutzel, Anke; Renbaum-Wolff, Lindsay; Boge, Olaf; Kamal, Saeid; Herrmann, Hartmut; Martin, Scot T.; Bertram, Allan K.

    2016-05-01

    Knowledge of the viscosity of particles containing secondary organic material (SOM) is useful for predicting reaction rates and diffusion in SOM particles. In this study we investigate the viscosity of SOM particles as a function of relative humidity and SOM particle mass concentration, during SOM synthesis. The SOM was generated via the ozonolysis of α-pinene at < 5 % relative humidity (RH). Experiments were carried out using the poke-and-flow technique, which measures the experimental flow time (τexp, flow) of SOM after poking the material with a needle. In the first set of experiments, we show that τexp, flow increased by a factor of 3600 as the RH increased from < 0.5 RH to 50 % RH, for SOM with a production mass concentration of 121 μg m-3. Based on simulations, the viscosities of the particles were between 6 x 105 and 5 x 107 Pa s at < 0.5 % RH and between 3 x 102 and 9 x 103 Pa s at 50 % RH. In the second set of experiments we show that under dry conditions τexp, flow decreased by a factor of 45 as the production mass concentration increased from 121 to 14 000 μg m-3. From simulations of the poke-and-flow experiments, the viscosity of SOM with a production mass concentration of 14 000 μg m-3 was determined to be between 4 x 104 and 1.5 x 106 Pa s compared to between 6 x 105 and 5 x 107 Pa s for SOM with a production mass concentration of 121 μg m-3. The results can be rationalized by a dependence of the chemical composition of SOM on production conditions. These results emphasize the shifting characteristics of SOM, not just with RH and precursor type, but also with the production conditions, and suggest that production mass concentration and the RH at which the viscosity was determined should be considered both when comparing laboratory results and when extrapolating these results to the atmosphere.

  20. Effect of varying experimental conditions on the viscosity of α-pinene derived secondary organic material

    NASA Astrophysics Data System (ADS)

    Grayson, J. W.; Zhang, Y.; Mutzel, A.; Renbaum-Wolff, L.; Böge, O.; Kamal, S.; Herrmann, H.; Martin, S. T.; Bertram, A. K.

    2015-11-01

    To predict the role of secondary organic material (SOM) particles in climate, visibility, and health, information on the viscosity of particles containing SOM is required. In this study we investigate the viscosity of SOM particles as a function of relative humidity and SOM particle mass concentration during SOM synthesis. The SOM was generated via the ozonolysis of α-pinene at < 5 % relative humidity (RH). Experiments were carried out using the poke-and-flow technique, which measures the experimental flow time (τexp, flow) of SOM after poking the material with a needle. In the first set of experiments, we show that τexp, flow increased by a factor of 3600 as the RH increased from < 0.5 to 50 % RH, for SOM with a production mass concentration of 121 μg m-3. Based on simulations, the viscosities of the particles were between 6 × 105 and 5 × 107 Pa s at < 0.5 % RH and between 3 × 102 and 9 × 103 Pa s at 50 % RH. In the second set of experiments we show that under dry conditions τexp, flow decreased by a factor of 45 as the production mass concentration increased from 121 to 14 000 μg m-3. From simulations of the poke-and-flow experiments, the viscosity of SOM with a production mass concentration of 14 000 μg m-3 was determined to be between 4 × 104 and 1.5 × 106 Pa s compared to between 6 × 105 and 5 × 107 Pa s for SOM with a production mass concentration of 121 μg m-3. The results can be rationalised by a dependence of the chemical composition of SOM on production conditions. These results emphasise the shifting characteristics of SOM, not just with RH and precursor type, but also with the production conditions, and suggest that production mass concentration and the RH at which the viscosity was determined should be considered both when comparing laboratory results and when extrapolating these results to the atmosphere.

  1. Design of novel bioadhesive materials based on mussel-derived glues

    NASA Astrophysics Data System (ADS)

    Lee, Bruce Po-Shu

    2005-11-01

    3,4-dihydroxyphenylalanine (DOPA), a unique amino acid found in mussel adhesive proteins (MAPS), was incorporated into polyethylene glycol) (PEG)-based hydrogels using several methods in an attempt to create a novel adhesive biomaterial that can potentially function as a wound closure material, a tissue engineering scaffold, or a mucoadhesive drug carrier. MAP sequences contain as much as 25 mol% DOPA, which is responsible for both strong water-resistant adhesion and rapid curing of these proteins. In the first strategy, DOPA was chemically attached to PEG and both enzymatic and chemical oxidizing reagents were used to induce oxidative cross-linking of DOPA, which resulted in rapid gel formation. Although DOPA was incorporated into a biocompatible PEG-based gel, the oxidized-forms of DOPA are believed to be less adhesive than the catecholic form. Thus, the second focus of the thesis was to incorporate the reduced form of DOPA into a gel network through photopolymerization. This was accomplished by copolymerizing N-methacrylated DOPA with PEG-diacrylate (PEG-DA). While catechol integration was demonstrated, the presence of DOPA lengthened gelation time and reduced the extent of gelation and the mechanical integrity of photocured hydrogels. In the third part of this thesis, the inhibitive effect of DOPA on photopolymerization was eliminated through the design of methacrylated amphiphilic block copolymers consisting of PEG and poly(lactide) (PLA). The self-assembling ability of these polymers was exploited to separate DOPA residues from methacrylate groups. Rapid gelation was achieved (<30 sec) to form DOPA-functionalized hydrogels that degraded in vitro within 2 weeks. The final objective was aimed at increasing DOPA content in the gel network by custom-designing a new methacrylated PEG-b-PLA copolymer with a free --NH2 group on the PEG backbone and to incorporate short poly(DOPA) and poly(DOPA-Lys) peptides through N-carboxyanhydride (NCA) polymerization. Contact

  2. A framework for assessing ecological risks of petroleum-derived materials in soil

    SciTech Connect

    Suter, G.W. II

    1997-05-01

    Ecological risk assessment estimates the nature and likelihood of effects of human actions on nonhuman organisms, populations, and ecosystems. It is intended to be clearer and more rigorous in its approach to estimation of effects and uncertainties than previously employed methods of ecological assessment. Ecological risk assessment is characterized by a standard paradigm that includes problem formulation, analysis of exposure and effects, risk characterization, and communication with a risk manager. This report provides a framework that applies the paradigm to the specific problem of assessing the ecological risks of petroleum in soil. This type of approach requires that assessments be performed in phases: (1) a scoping assessment to determine whether there is a potential route of exposure for potentially significant ecological receptors; (2) a screening assessment to determine whether exposures could potentially reach toxic levels; and (3) a definitive assessment to estimate the nature, magnitude, and extent of risks. The principal technical issue addressed is the chemically complex nature of petroleum--a complexity that may be dealt with by assessing risks on the basis of properties of the whole material, properties of individual chemicals that are representative of chemical classes, distributions of properties of the constituents of chemical classes, properties of chemicals detected in the soil, and properties of indicator chemicals. The advantages and feasibility of these alternatives are discussed. The report concludes with research recommendations for improving each stage in the assessment process.

  3. Relative humidity-dependent viscosities of isoprene-derived secondary organic material and atmospheric implications for isoprene-dominant forests

    NASA Astrophysics Data System (ADS)

    Song, M.; Liu, P. F.; Hanna, S. J.; Li, Y. J.; Martin, S. T.; Bertram, A. K.

    2015-05-01

    Oxidation of isoprene is an important source of secondary organic material (SOM) in atmospheric particles, especially in areas such as the Amazon Basin. Information on the viscosities, diffusion rates, and mixing times within isoprene-derived SOM is needed for accurate predictions of air quality, visibility, and climate. Currently, however, this information is not available. Using a bead-mobility technique and a poke-flow technique combined with fluid simulations, the relative humidity (RH)-dependent viscosities of SOM produced from isoprene photo-oxidation were quantified for 20-60 μm particles at 295 ± 1 K. From 84.5 to 0% RH, the viscosities for isoprene-derived SOM varied from ~ 2 × 10-1 to ~ 3 × 105 Pa s, implying that isoprene-derived SOM ranges from a liquid to a semisolid over this RH range. These viscosities correspond to diffusion coefficients of ~ 2 × 10-8 to ~ 2 × 10-14 cm2 s-1 for large organic molecules that follow the Stokes-Einstein relation. Based on the diffusion coefficients, the mixing time of large organic molecules within 200 nm isoprene-derived SOM particles ranges from approximately 0.1 h to less than 1 s. To illustrate the atmospheric implications of this study's results, the Amazon Basin is used as a case study for an isoprene-dominant forest. Considering the RH and temperature range observed in the Amazon Basin and with some assumptions about the dominant chemical compositions of SOM particles in the region, it is likely that SOM particles in this area are liquid and reach equilibrium with large gas-phase organic molecules on short time scales, less than or equal to approximately 0.1 h.

  4. Effects of solution chemistry on the removal reaction between calcium carbonate-based materials and Fe(II).

    PubMed

    Wang, Yu; Sikora, Saraya; Kim, Hwidong; Boyer, Treavor H; Bonzongo, Jean-Claude; Townsend, Timothy G

    2013-01-15

    Elevated iron concentrations have been observed in the groundwater underlying and surrounding several Florida landfill sites. An in situ groundwater remediation method for iron (present as soluble ferrous iron) using a permeable reactive barrier composed of calcium carbonate-based materials (CCBMs), such as limestone, was examined as a potentially effective and low-cost treatment technique. The effects of various environmental factors (i.e., pH, co-existing cations, and natural organic matter (NOM)) on the removal reaction were investigated using laboratory batch studies. Solution pH had a minor effect on iron removal, with superior iron removal observed in the highest pH solution (pH of 9). Sodium and calcium tended to impede the iron removal process by increasing the ionic strength of the solution. Manganese competes with iron ions at the adsorption sites on CCBMs; therefore, the presence of manganese prohibits iron removal and reduces removal effectiveness. NOM was found to decrease Fe(II) uptake by CCBMs and reduce the removal effectiveness by complexing Fe(II), most likely through the carboxyl group, thereby maintaining Fe(II) mobility in the aqueous phase.

  5. Amino acid derivative-mediated detoxification and functionalization of dual cure dental restorative material for dental pulp cell mineralization.

    PubMed

    Minamikawa, Hajime; Yamada, Masahiro; Iwasa, Fuminori; Ueno, Takeshi; Deyama, Yoshiaki; Suzuki, Kuniaki; Yawaka, Yasutaka; Ogawa, Takahiro

    2010-10-01

    Current dental restorative materials are only used to fill the defect of hard tissues, such as dentin and enamel, because of their cytotoxicity. Therefore, exposed dental pulp tissues in deep cavities must be first covered by a pulp capping material like calcium hydroxide to form a layer of mineralized tissue. However, this tissue mineralization is based on pathological reaction and triggers long-lasting inflammation, often causing clinical problems. This study tested the ability of N-acetyl cysteine (NAC), amino acid derivative, to reduce cytotoxicity and induce mineralized tissue conductivity in resin-modified glass ionomer (RMGI), a widely used dental restorative material having dual cure mechanism. Rat dental pulp cells were cultured on untreated or NAC-supplemented RMGI. NAC supplementation substantially increased the percentage of viable cells from 46.7 to 73.3% after 24-h incubation. Cell attachment, spreading, proliferative activity, and odontoblast-related gene and protein expressions increased significantly on NAC-supplemented RMGI. The mineralization capability of cells, which was nearly suppressed on untreated RMGI, was induced on NAC-supplemented RMGI. These improved behaviors and functions of dental pulp cells on NAC-supplemented RMGI were associated with a considerable reduction in the production of intracellular reactive oxygen species and with the increased level of intracellular glutathione reserves. These results demonstrated that NAC could detoxify and functionalize RMGIs via two different mechanisms involving in situ material detoxification and antioxidant cell protection. We believe that this study provides a new approach for developing dental restorative materials that enables mineralized tissue regeneration.

  6. Plasma chemistry and its applications

    NASA Technical Reports Server (NTRS)

    Hozumi, K.

    1980-01-01

    The relationship between discharge phenomena and plasma chemistry, as well as the equipment and mechanisms of plasma chemical reactions are described. Various areas in which plasma chemistry is applied are surveyed, such as: manufacturing of semiconductor integrated circuits; synthetic fibers; high polymer materials for medical uses; optical lenses; and membrane filters (reverse penetration films).

  7. Calix[4]pyrrole derivative: recognition of fluoride and mercury ions and extracting properties of the receptor-based new material.

    PubMed

    de Namor, Angela F Danil; Khalife, Rasha

    2008-12-11

    A calix[4]pyrrole derivative, namely, meso-tetramethyl tetrakis (4-phenoxy methyl ketone) calix[4]pyrrole, 1, was synthesized and structurally (1H NMR) and thermodynamically characterized. The complexing properties of this receptor with a wide variety of anions and cations in dipolar aprotic media (acetonitrile, propylene carbonate, and dimethyl sulfoxide) were investigated through 1H NMR and conductance studies. The former technique was used to assess whether or not complexation occurs and if so to identify the active sites of interaction of 1 with ions. The composition of the complexes was established by conductance measurements. It was found that in dipolar aprotic solvents, 1 interacts only with two polluting ions (fluoride and mercury). The complexation thermodynamics of 1 and these ions in these solvents is reported. The medium effect on the binding process involving the fluoride ion is discussed taking into account the solvation properties of reactants and the product. Complexes of moderate stability are found. Given that this is an important factor to consider for the recycling of the loaded material in extraction processes, 1 was treated with formaldehyde in basic medium leading to the production of a calix[4]pyrrole based material able to extract fluoride and mercury (II) ions from water. Thus the optimum conditions for the extraction of these ions from aqueous solutions were established. The material is easily recyclable using an organic acid. Final conclusions are given. PMID:19053691

  8. Liquefaction process wherein solvents derived from the material liquefied and containing increased concentrations of donor species are employed

    DOEpatents

    Fant, B. T.; Miller, John D.; Ryan, D. F.

    1982-01-01

    An improved process for the liquefaction of solid carbonaceous materials wherein a solvent or diluent derived from the solid carbonaceous material being liquefied is used to form a slurry of the solid carbonaceous material and wherein the solvent or diluent comprises from about 65 to about 85 wt. % hydroaromatic components. The solvent is prepared by first separating a solvent or diluent distillate fraction from the liquefaction product, subjecting this distillate fraction to hydrogenation and then extracting the naphthenic components from the hydrogenated product. The extracted naphthenic components are then dehydrogenated and hydrotreated to produce additional hydroaromatic components. These components are combined with the solvent or diluent distillate fraction. The solvent may also contain hydroaromatic constituents prepared by extracting naphthenic components from a heavy naphtha, dehydrogenating the same and then hydrotreating the dehydrogenated product. When the amount of solvent produced in this manner exceeds that required for steady state operation of the liquefaction process a portion of the solvent or diluent distillated fraction will be withdrawn as product.

  9. Calix[4]pyrrole derivative: recognition of fluoride and mercury ions and extracting properties of the receptor-based new material.

    PubMed

    de Namor, Angela F Danil; Khalife, Rasha

    2008-12-11

    A calix[4]pyrrole derivative, namely, meso-tetramethyl tetrakis (4-phenoxy methyl ketone) calix[4]pyrrole, 1, was synthesized and structurally (1H NMR) and thermodynamically characterized. The complexing properties of this receptor with a wide variety of anions and cations in dipolar aprotic media (acetonitrile, propylene carbonate, and dimethyl sulfoxide) were investigated through 1H NMR and conductance studies. The former technique was used to assess whether or not complexation occurs and if so to identify the active sites of interaction of 1 with ions. The composition of the complexes was established by conductance measurements. It was found that in dipolar aprotic solvents, 1 interacts only with two polluting ions (fluoride and mercury). The complexation thermodynamics of 1 and these ions in these solvents is reported. The medium effect on the binding process involving the fluoride ion is discussed taking into account the solvation properties of reactants and the product. Complexes of moderate stability are found. Given that this is an important factor to consider for the recycling of the loaded material in extraction processes, 1 was treated with formaldehyde in basic medium leading to the production of a calix[4]pyrrole based material able to extract fluoride and mercury (II) ions from water. Thus the optimum conditions for the extraction of these ions from aqueous solutions were established. The material is easily recyclable using an organic acid. Final conclusions are given.

  10. Honeycomb porous films as permeable scaffold materials for human embryonic stem cell-derived retinal pigment epithelium.

    PubMed

    Calejo, Maria Teresa; Ilmarinen, Tanja; Jongprasitkul, Hatai; Skottman, Heli; Kellomäki, Minna

    2016-07-01

    Age-related macular degeneration (AMD) is a leading cause of blindness in developed countries, characterised by the degeneration of the retinal pigment epithelium (RPE), a pigmented cell monolayer that closely interacts with the photoreceptors. RPE transplantation is thus considered a very promising therapeutic option to treat this disease. In this work, porous honeycomb-like films are for the first time investigated as scaffold materials for human embryonic stem cell-derived retinal pigment epithelium (hESC-RPE). By changing the conditions during film preparation, it was possible to produce films with homogeneous pore distribution and adequate pore size (∼3-5 µm), that is large enough to ensure high permeability but small enough to enable cell adherence and spreading. A brief dip-coating procedure with collagen type IV enabled the homogeneous adsorption of the protein to the walls and bottom of pores, increasing the hydrophilicity of the surface. hESC-RPE adhered and proliferated on all the collagen-coated materials, regardless of small differences in pore size. The differentiation of hESC-RPE was confirmed by the detection of specific RPE protein markers. These results suggest that the porous honeycomb films can be promising candidates for hESC-RPE tissue engineering, importantly enabling the free flow of ions and molecules across the material. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 1646-1656, 2016.

  11. Dynamic Processes in Biology, Chemistry, and Materials Science: Opportunities for UltraFast Transmission Electron Microscopy - Workshop Summary Report

    SciTech Connect

    Kabius, Bernd C.; Browning, Nigel D.; Thevuthasan, Suntharampillai; Diehl, Barbara L.; Stach, Eric A.

    2012-07-25

    mission. This workshop built on previous workshops and included three breakout sessions identifying scientific challenges in biology, biogeochemistry, catalysis, and materials science frontier areas of fundamental science that underpin energy and environmental science that would significantly benefit from ultrafast transmission electron microscopy (UTEM). In addition, the current status of time-resolved electron microscopy was examined, and the technologies that will enable future advances in spatio-temporal resolution were identified in a fourth breakout session.

  12. The Chemistry of Health

    ERIC Educational Resources Information Center

    Davis, Alison

    2009-01-01

    Do people realize that chemistry plays a key role in helping solve some of the most serious problems facing the world today? Chemists want to find the building blocks of the chemical universe--the molecules that form materials, living cells and whole organisms. Many chemists are medical explorers looking for new ways to maintain and improve…

  13. Chemistry between the stars

    NASA Technical Reports Server (NTRS)

    Gammon, R. H.

    1976-01-01

    A unit is presented for the secondary school teacher of physics, chemistry, astronomy, or earth sciences. Included are a list of reference materials, teaching aids, and projects. Discussion questions and a glossary are also provided. Concepts developed are: the nature of interstellar space, spectroscopy, molecular signals from space and interstellar molecules and other areas of astronomy.

  14. Chemistry Between The Stars.

    ERIC Educational Resources Information Center

    Gammon, Richard H.

    This booklet is part of an American Astronomical Society curriculum project designed to provide teaching materials to teachers of secondary school chemistry, physics, and earth science. The following topics are covered: the physical conditions in interstellar space in comparison with those of the earth, particularly in regard to gas density,…

  15. The Pimlico Chemistry Trail.

    ERIC Educational Resources Information Center

    Borrows, Peter

    1984-01-01

    Describes a chemistry "trail" (similar to a nature trail) which focuses on chemical phenomena in the environment. The trail includes 20 stops in and around a local school. Types of phenomena examined include building materials, air pollution, corrosion of metals, swimming pools, and others. Additional activities are also suggested. (DH)

  16. Greener and Sustainable Chemistry

    EPA Science Inventory

    The special issue on Greener and Sustainable Chemistry highlights various strategies that can be adopted to address the pollution preventive measures promoting the use of energy efficient reactions that utilize benign and bio-renewable raw materials in a relatively safer reaction...

  17. Circumstellar chemistry

    NASA Technical Reports Server (NTRS)

    Glassgold, Alfred E.; Huggins, Patrick J.

    1987-01-01

    The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant. A summary of observations and a discussion of theoretical considerations concerning the chemistry are summarized. Recent theoretical considerations show that the thermal equilibrium model is of limited use for understanding the chemistry of the outer CS envelopes. The theoretical modeling of the chemistry of CS envelopes provides a quantitive test of chemical concepts which have a broader interest than the envelopes themselves.

  18. Organic Chemistry in Space

    NASA Technical Reports Server (NTRS)

    Charnley, Steven

    2009-01-01

    Astronomical observations, theoretical modeling, laboratory simulation and analysis of extraterrestrial material have enhanced our knowledge of the inventory of organic matter in the interstellar medium (ISM) and on small bodies such as comets and asteroids (Ehrenfreund & Charnley 2000). Comets, asteroids and their fragments, meteorites and interplanetary dust particles (IDPs), contributed significant amounts of extraterrestrial organic matter to the young Earth. This material degraded and reacted in a terrestrial prebiotic chemistry to form organic structures that may have served as building blocks for life on the early Earth. In this talk I will summarize our current understanding of the organic composition and chemistry of interstellar clouds. Molecules of astrobiological relevance include the building blocks of our genetic material: nucleic acids, composed of subunits such as N-heterocycles (purines and pyrimidines), sugars and amino acids. Signatures indicative of inheritance of pristine and modified interstellar material in comets and meteorites will also be discussed.

  19. CO2 Fixation into Novel CO2 Storage Materials Composed of 1,2-Ethanediamine and Ethylene Glycol Derivatives.

    PubMed

    Zhao, Tianxiang; Guo, Bo; Han, Limin; Zhu, Ning; Gao, Fei; Li, Qiang; Li, Lihua; Zhang, Jianbin

    2015-07-20

    A new CO2 fixation process into solid CO2 -storage materials (CO2 SMs) under mild conditions has been developed. The novel application of amine-glycol systems to the capture, storage, and utilization of CO2 with readily available 1,2-ethanediamine (EDA) and ethylene glycol derivatives (EGs) was demonstrated. Typically, the CO2 SMs were isolated in 28.9-47.5 % yields, followed by extensive characterization using (13) C NMR, XRD, and FTIR. We found that especially the resulting poly-ethylene-glycol-300-based CO2 SM (PCO2 SM) product could be processed into stable tablets for CO2 storage; the aqueous PCO2 SM solution exhibited remarkable CO2 capturing and releasing capabilities after multiple cycles. Most importantly, the EDA and PEG 300 released from PCO2 SM were found to act as facilitative surfactants for the multiple preparation of CaCO3 microparticles with nano-layer structure.

  20. Trace Chemistry

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, Krishnan; Whitefield, Philip

    1999-01-01

    , in addition, of the pressure, temperature, and velocity. A near term goal of the experimental program should be to confirm the nonlinear effects of sulfur speciation, and if present, to provide an explanation for them. It is also desirable to examine if the particulate matter retains any sulfur. The recommendation is to examine the effects on SOx production of variations in fuel-bound sulfur and aromatic content (which may affect the amount of particulates formed). These experiments should help us to understand if there is a coupling between particulate formation and SO, concentration. Similarly, any coupling with NOx can be examined either by introducing NOx into the combustion air or by using fuel-bound nitrogen. Also of immediate urgency is the need to establish and validate a detailed mechanism for sulfur oxidation/aerosol formation, whose chemistry is concluded to be homogeneous, because there is not enough surface area for heterogeneous effects. It is envisaged that this work will involve both experimental and theoretical programs. The experimental work will require, in addition to the measurements described above, fundamental studies in devices such as flow reactors and shock tubes. Complementing this effort should be modeling and theoretical activities. One impediment to the successful modeling of sulfur oxidation is the lack of reliable data for thermodynamic and transport properties for several species, such as aqueous nitric acid, sulfur oxides, and sulfuric acid. Quantum mechanical calculations are recommended as a convenient means of deriving values for these properties. Such calculations would also help establish rate constants for several important reactions for which experimental measurements are inherently fraught with uncertainty. Efforts to implement sufficiently detailed chemistry into computational fluid dynamic codes should be continued. Zero- and one-dimensional flow models are also useful vehicles for elucidating the minimal set of species and

  1. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1973

    1973-01-01

    Several ideas are proposed for chemistry teachers to try in their classrooms. Subjects included are polymerization of acrylate, polymerization of styrene, conductivity, pollution, preparation of chlorine, redox equations, chemiluminescence, and molecular sieves. (PS)

  2. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Describes 13 activities, experiments and demonstrations, including the preparation of iron (III) chloride, simple alpha-helix model, investigating camping gas, redox reactions of some organic compounds, a liquid crystal thermometer, and the oxidation number concept in organic chemistry. (JN)

  3. Nuclear Chemistry.

    ERIC Educational Resources Information Center

    Chemical and Engineering News, 1979

    1979-01-01

    Provides a brief review of the latest developments in nuclear chemistry. Nuclear research today is directed toward increased activity in radiopharmaceuticals and formation of new isotopes by high-energy, heavy-ion collisions. (Author/BB)

  4. Precolumbian Chemistry.

    ERIC Educational Resources Information Center

    Robinson, Janet Bond

    1995-01-01

    Describes the content and development of a curriculum that provides an approach to descriptive chemistry and the history of technology through consideration of the pottery, metallurgy, pigments, dyes, agriculture, and medicine of pre-Columbian people. (DDR)

  5. Catalytic Chemistry.

    ERIC Educational Resources Information Center

    Borer, Londa; And Others

    1996-01-01

    Describes an approach for making chemistry relevant to everyday life. Involves the study of kinetics using the decomposition of hydrogen peroxide by vegetable juices. Allows students to design and carry out experiments and then draw conclusions from their results. (JRH)

  6. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1980

    1980-01-01

    Describes equipment, activities, and experiments useful in chemistry instruction, including among others, a rapid method to determine available chlorine in bleach, simple flame testing apparatus, and a simple apparatus demonstrating the technique of flash photolysis. (SK)

  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. Aspergillus flavus Conidia-derived Carbon/Sulfur Composite as a Cathode Material for High Performance Lithium–Sulfur Battery

    PubMed Central

    Xu, Maowen; Jia, Min; Mao, Cuiping; Liu, Sangui; Bao, Shujuan; Jiang, Jian; Liu, Yang; Lu, Zhisong

    2016-01-01

    A novel approach was developed to prepare porous carbon materials with an extremely high surface area of 2459.6 m2g−1 by using Aspergillus flavus conidia as precursors. The porous carbon serves as a superior cathode material to anchor sulfur due to its uniform and tortuous morphology, enabling high capacity and good cycle lifetime in lithium sulfur-batteries. Under a current rate of 0.2 C, the carbon-sulfur composites with 56.7 wt% sulfur loading deliver an initial capacity of 1625 mAh g−1, which is almost equal to the theoretical capacity of sulfur. The good performance may be ascribed to excellent electronic networks constructed by the high-surface-area carbon species. Moreover, the semi-closed architecture of derived carbons can effectively retard the polysulfides dissolution during charge/discharge, resulting in a capacity of 940 mAh g−1 after 120 charge/discharge cycles. PMID:26732547

  9. An Amorphous Carbon Nitride Composite Derived from ZIF-8 as Anode Material for Sodium-Ion Batteries.

    PubMed

    Fan, Jing-Min; Chen, Jia-Jia; Zhang, Qian; Chen, Bin-Bin; Zang, Jun; Zheng, Ming-Sen; Dong, Quan-Feng

    2015-06-01

    An composite comprising amorphous carbon nitride (ACN) and zinc oxide is derived from ZIF-8 by pyrolysis. The composite is a promising anode material for sodium-ion batteries. The nitrogen content of the ACN composite is as high as 20.4 %, and the bonding state of nitrogen is mostly pyridinic, as determined by X-ray photoelectron spectroscopy (XPS). The composite exhibits an excellent Na(+) storage performance with a reversible capacity of 430 mA h g(-1) and 146 mA h g(-1) at current densities of 83 mA g(-1) and 8.33 A g(-1) , respectively. A specific capacity of 175 mA h g(-1) was maintained after 2000 cycles at 1.67 A g(-1) , with only 0.016 % capacity degradation per cycle. Moreover, an accelerating rate calorimetry (ARC) test demonstrates the excellent thermal stability of the composite, with a low self heating rate and high onset temperature (210 °C). These results shows its promise as a candidate material for high-capacity, high-rate anodes for sodium-ion batteries.

  10. The preparation and performance of calcium carbide-derived carbon/polyaniline composite electrode material for supercapacitors

    NASA Astrophysics Data System (ADS)

    Zheng, Liping; Wang, Ying; Wang, Xianyou; Li, Na; An, Hongfang; Chen, Huajie; Guo, Jia

    Calcium carbide (CaC 2)-derived carbon (CCDC)/polyaniline (PANI) composite materials are prepared by in situ chemical oxidation polymerization of an aniline solution containing well-dispersed CCDC. The structure and morphology of CCDC/PANI composite are characterized by Fourier infrared spectroscopy (FTIR), scanning electron microscope (SEM), transmission electron microscopy (TEM) and N 2 sorption isotherms. It has been found that PANI was uniformly deposited on the surface and the inner pores of CCDC. The supercapacitive behaviors of the CCDC/PANI composite materials are investigated with cyclic voltammetry (CV), galvanostatic charge/discharge and cycle life measurements. The results show that the CCDC/PANI composite electrodes have higher specific capacitances than the as grown CCDC electrodes and higher stability than the conducting polymers. The capacitance of CCDC/PANI composite electrode is as high as 713.4 F g -1 measured by cyclic voltammetry at 1 mV s -1. Besides, the capacitance retention of coin supercapacitor remained 80.1% after 1000 cycles.

  11. Geochemistry of batch-extract waters derived from spoil material collected at the Cordero coal mine, Powder River basin, Wyoming

    USGS Publications Warehouse

    Naftz, D.L.

    1990-01-01

    Batch-mixing experiments to evaluate postmining water quality at the Cordero Mine were conducted by the U.S. Geological Survey during 1984 to 1985. Contact of groundwater from the spoil aquifer with fresh spoil material caused only small changes in major-element concentrations and in pH, unless sulfide oxidation or contact with soluble salts, such as epsomite, occurred. In contrast, large changes in major-element concentration resulted when water from the coal aquifer contacted the spoil material. Only three of seven reaction models considered to explain the water quality changes during the batch-mixing experiments were consistent with the thermodynamic and mineralogical data. The three models used to account for the observed water quality changes derived potassium from potassium feldspar; magnesium from chlorite or epsomite or both; sodium from cation exchange and halite; chloride from halite; silica from potassium feldspar and chlorite; sulfate from gypsum, or epsomite or both, and carbon from carbon dioxide. In general, water quality samples obtained from the batch-mixing experiments using water from the coal aquifer had smaller major-ion concentrations than the actual water quality in the spoil aquifer. These differences can be explained by the limited amount of efflorescent salt dissolution and volume of water used in the experiments. Correction ratios calculated for these experiments may be applied to batch-mixing experiments at other mines in the area, to predict postmining water quality. (USGS)

  12. Aspergillus flavus Conidia-derived Carbon/Sulfur Composite as a Cathode Material for High Performance Lithium-Sulfur Battery

    NASA Astrophysics Data System (ADS)

    Xu, Maowen; Jia, Min; Mao, Cuiping; Liu, Sangui; Bao, Shujuan; Jiang, Jian; Liu, Yang; Lu, Zhisong

    2016-01-01

    A novel approach was developed to prepare porous carbon materials with an extremely high surface area of 2459.6 m2g-1 by using Aspergillus flavus conidia as precursors. The porous carbon serves as a superior cathode material to anchor sulfur due to its uniform and tortuous morphology, enabling high capacity and good cycle lifetime in lithium sulfur-batteries. Under a current rate of 0.2 C, the carbon-sulfur composites with 56.7 wt% sulfur loading deliver an initial capacity of 1625 mAh g-1, which is almost equal to the theoretical capacity of sulfur. The good performance may be ascribed to excellent electronic networks constructed by the high-surface-area carbon species. Moreover, the semi-closed architecture of derived carbons can effectively retard the polysulfides dissolution during charge/discharge, resulting in a capacity of 940 mAh g-1 after 120 charge/discharge cycles.

  13. Activities across Nation Mark National Chemistry Week.

    ERIC Educational Resources Information Center

    Carpenter, Ernest, Ed.; And Others

    1989-01-01

    Describes national and local activities done during National Chemistry Week including chemistry demonstrations, shopping center exhibits, contests, and museum exhibits. Discusses the supplementary material about chemistry in selected editions of 16 newspapers, "Solution for the Future." Presents many pictures showing those activities. (YP)

  14. Forensic Chemistry--A Symposium Collection.

    ERIC Educational Resources Information Center

    Journal of Chemical Education, 1985

    1985-01-01

    Presents a collection of articles to provide chemistry teachers with resource materials to add forensic chemistry units to their chemistry courses. Topics range from development of forensic science laboratory courses and mock-crime scenes to forensic serology and analytical techniques. (JN)

  15. Derivation of guidelines for uranium residual radioactive material in soil at the B&T Metals Company site, Columbus, Ohio

    SciTech Connect

    Kamboj, S.; Nimmagadda, Mm.; Yu, C

    1996-01-01

    Guidelines for uranium residual radioactive material in soil were derived for the B&T Metals Company site in Columbus, Ohio. This site has been identified for remedial action under the US Department of Energy`s (DOE`s) Formerly Utilized Sites Remedial Action Program (FUSRAP). Single-nuclide and total-uranium guidelines were derived on the basis of the requirement that following remedial action, the 50-year committed effective dose equivalent to a hypothetical individual living or working in the immediate vicinity of the site should not exceed a dose constraint of 30 mrem/yr for the current use and likely future use scenarios or a dose limit of 100 n-mrem/yr for less likely future use scenarios. The DOE residual radioactive material guideline computer code, RESRAD, was used in this evaluation. RESRAD implements the methodology described in the DOE manual for establishing residual radioactive material guidelines. Three scenarios were considered; each assumed that for a period of 1,000 years following remedial action, the site would be used without radiological restrictions. The three scenarios varied with regard to the type of site use, time spent at the site by the exposed individual, and sources of food and water consumed. The evaluations indicate that the dose constraint of 30 mrem/yr would not be exceeded for uranium (including uranium-234, uranium-235, and uranium-238) within 1,000 years, provided that the soil concentration of total uranium (uranium-234, uranium-235, and uranium-238) at the B&T Metals site did not exceed 1, I 00 pCi/g for Scenario A (industrial worker, current use) or 300 pCi/g for Scenario B (resident with municipal water supply, a likely future use). The dose limit of 100 mrem/yr would not be exceeded at the site if the total uranium concentration of the soil did not exceed 880 pCi/g for Scenario C (resident with an on-site water well, a plausible but unlikely future use).

  16. Derivation of guidelines for uranium residual radioactive material in soil at the former Baker Brothers, Inc., Site, Toledo, Ohio

    SciTech Connect

    Nimmagadda, M.; Kamboj, S.; Yu, C.

    1995-04-01

    Residual radioactive material guidelines for uranium in soil were derived for the former Baker Brothers, Inc., site in Toledo, Ohio. This site has been identified for remedial action under the U.S. Department of Energy`s (DOE`s) Formerly Utilized Sites Remedial Action Program (FUSRAP). Single-nuclide and total-uranium guidelines were derived on the basis of the requirement that following remedial action, the 50-year committed effective dose equivalent to a hypothetical individual living or working in the immediate vicinity of the site should not exceed a dose constraint of 30 mrem/yr for the current use and likely future use scenarios or a dose limit of 100 mrem/yr for less likely future use scenarios. The DOE residual radioactive material guideline computer code, RESRAD, was used in this evaluation; RESRAD implements the methodology described in the DOE manual for establishing residual radioactive material guidelines. Three scenarios were considered; each assumed that for a period of 1,000 years following remedial action, the site would be used without radiological restrictions. The three scenarios varied with regard to the type of site use, time spent at the site by the exposed individual, and sources of food and water consumed. The evaluation indicates that the dose constraint of 30 mrem/yr would not be exceeded for uranium (including uranium-234, uranium-235, and uranium-238) within 1,000 years, provided that the soil concentration of total combined uranium (uranium-234, uranium-235, and uranium-238) at the former Baker Brothers site did not exceed 710 pCi/g for Scenario A (industrial worker, current use) or 210 pCi/g for Scenario B (resident - municipal water supply, a likely future use). The dose limit of 100 mrem/yr would not be exceeded at the site if the total uranium concentration of the soil did not exceed 500 pCi/g for Scenario C (subsistence farmer - on-site well water, a plausible but unlikely future use).

  17. Theoretical investigations into optical and charge transfer properties of donor-acceptor 1,8-naphthalimide derivatives as possible organic light-emitting materials

    NASA Astrophysics Data System (ADS)

    Chai, Wandong; Jin, Ruifa

    2016-01-01

    A series of D-A naphthalimide-substituted fluorene derivatives have been designed to explore their optical, electronic, and charge transport properties as charge transport and/or luminescent materials for organic light-emitting diodes (OLEDs). The frontier molecular orbitals (FMOs) analysis turned out that the vertical electronic transitions of absorption and emission are characterized as intramolecular charge transfer (ICT). The calculated results show that their optical and electronic properties are affected by the substituent groups in fluorene moieties. Our results suggest that all selected candidates are promising as luminescent materials for OLEDs. In addition, all derivatives can be used as promising hole and electron transport materials while derivatives with dibenzothiophene fragment can be used as hole transport material only for OLEDs.

  18. Deliquescence, efflorescence, and phase miscibility of mixed particles of ammonium sulfate and isoprene-derived secondary organic material

    NASA Astrophysics Data System (ADS)

    Smith, M. L.; Bertram, A. K.; Martin, S. T.

    2012-10-01

    The hygroscopic phase transitions of ammonium sulfate mixed with isoprene-derived secondary organic material were investigated in aerosol experiments. The organic material was produced by isoprene photo-oxidation at 40% and 60% relative humidity. The low volatility fraction of the photo-oxidation products condensed onto ammonium sulfate particles. The particle-phase organic material had oxygen-to-carbon ratios of 0.67 to 0.74 (±0.2) for mass concentrations of 20 to 30 μg m-3. The deliquescence, efflorescence, and phase miscibility of the mixed particles were investigated using a dual arm tandem differential mobility analyzer. The isoprene photo-oxidation products induced deviations in behavior relative to pure ammonium sulfate. Compared to an efflorescence relative humidity (ERH) of 30 to 35% for pure ammonium sulfate, efflorescence was eliminated for aqueous particles having organic volume fractions ϵ of 0.6 and greater. Compared to a deliquescence relative humidity (DRH) of 80% for pure ammonium sulfate, the DRH steadily decreased with increasing ϵ, approaching a DRH of 40% for ϵ of 0.9. Parameterizations of the DRH(ϵ) and ERH(ϵ) curves were as follows: DRH(ϵ)= ∑i ci,d ϵi valid for 0 ≤ ϵ ≤0.86 and ERH(ϵ)= ∑ i ci,e ϵi valid for 0 ≤ ϵ ≤ 0.55 for the coefficients c0,d= 80.67, c0,e = 28.35, c1,d = -11.45, c1,e = -13.66, c2,d = 0, c2,e = 0, c3,d = 57.99, c3,e = -83.80, c4,d = -106.80, and c4,e = 0. The molecular description that is thermodynamically implied by these strongly sloped DRH(ϵ) and ERH(ϵ) curves is that the organic isoprene photo-oxidation products, the inorganic ammonium sulfate, and water form a miscible liquid phase even at low relative humidity. This phase miscibility is in contrast to the liquid-liquid separation that occurs for some other types of secondary organic material. These differences

  19. Impacts of Anthropogenic Emissions in the Southeastern U.S. on Heterogeneous Chemistry of Isoprene-Derived Epoxides Leading to Secondary Organic Aerosol Formation (Invited)

    NASA Astrophysics Data System (ADS)

    Surratt, J. D.; Pye, H.; Lin, Y.; Budisulistiorini, S.; Zhang, H.; Marth, W.; Cui, T.; Arashiro, M.; Chu, K.; Zhang, Z.; Sexton, K.; Piletic, I.; Xie, Y.; Capps, S. L.; Luecken, D.; Hutzell, W. T.; Jaoui, M.; Canagaratna, M. R.; Croteau, D.; Jayne, J. T.; Worsnop, D. R.; Offenberg, J.; Kleindienst, T. E.; Lewandowski, M.; Edney, E.; Pinder, R. W.; Bartolotti, L.; Gold, A.

    2013-12-01

    Isoprene is a major source of secondary organic aerosol (SOA); however, the exact manner in which it forms SOA remains unclear. Improving our fundamental understanding of isoprene-derived SOA is key to improving existing air quality models, especially in the southeastern U.S. where models currently underestimate observations. By combining organic synthesis, computational calculations, mass spectrometry, smog chamber studies, and field measurements, we show that reactive epoxides, which include methacrylic acid epoxide (MAE) and isomeric isoprene epoxydiols (IEPOX), produced from the photochemical oxidation of isoprene are key to SOA formation. Furthermore, anthropogenic pollutants (NOx and SO2) enhance isoprene-derived epoxides as an SOA source. In the laboratory, we find that the reactive uptake of synthetic IEPOX and MAE standards onto acidified sulfate aerosol yields known isoprene-derived SOA tracers (2-methlytetrols, 2-methylglyceric acid, C5-alkene triols, 3-methyltetrahydrofuran-3,4-diols, dimers and organosulfates) that we measure in fine aerosol collected from multiple sites across the southeastern U.S. using gas chromatography/mass spectrometry (GC/MS) and liquid chromatography coupled to diode array detection and electrospray ionization high-resolution quadrupole time-of-flight mass spectrometry (LC/DAD-ESI-QTOFMS). Notably, IEPOX- and MAE-derived SOA tracers account for ~19% of the organic aerosol mass in Yorkville, GA. Moreover, real-time continuous chemical measurements of fine aerosol made using an Aerodyne Aerosol Chemical Speciation Monitor (ACSM) during summer 2011 and summer 2013 in Atlanta, GA, and Look Rock, TN, respectively, resolved an IEPOX-oxygenated organic aerosol (IEPOX-OOA) factor when applying positive matrix factorization (PMF) to the organic mass spectral time series. In Atlanta, this factor is found to account for ~33% of the fine OA mass and is correlated with IEPOX-derived SOA tracers (r2 = 0.6), sulfate (r2 = 0.5), and to some

  20. Impact of climate and parent material on chemical weathering in Loess-derived soils of the Mississippi River valley

    USGS Publications Warehouse

    Muhs, D.R.; Bettis, E. Arthur; Been, J.; McGeehin, J.P.

    2001-01-01

    Peoria Loess-derived soils on uplands east of the Mississippi River valley were studied from Louisiana to Iowa, along a south-to-north gradient of decreasing precipitation and temperature. Major element analyses of deep loess in Mississippi and Illinois show that the composition of the parent material is similar in the northern and southern parts of the valley. We hypothesized that in the warmer, wetter parts of the transect, mineral weathering should be greater than in the cooler, drier parts of the transect. Profile average values of CaO/TiO2, MgO/ TiO2, K2O/TiO2, and Na2O/TiO2, Sr/Zr, Ba/Zr, and Rb/Zr represent proxies for depletion of loess minerals such as calcite, dolomite, hornblende, mica, and plagioclase. All ratios show increases from south to north, supporting the hypothesis of greater chemical weathering in the southern part of the valley. An unexpected result is that profile average values of Al2O3/TiO2 and Fe2O3/TiO2 (proxies for the relative abundance of clay minerals) show increases from south to north. This finding, while contrary to the evidence of greater chemical weathering in the southern part of the transect, is consistent with an earlier study which showed higher clay contents in Bt horizons of loess-derived soils in the northern part of the transect. We hypothesize that soils in the northern part of the valley received fine-grained loess from sources to the west of the Mississippi River valley either late in the last glacial period, during the Holocene or both. In contrast, soils in the southern part of the valley were unaffected by such additions.

  1. Chemistry of Renieramycins. 15. Synthesis of 22-O-Ester Derivatives of Jorunnamycin A and Their Cytotoxicity against Non-Small-Cell Lung Cancer Cells.

    PubMed

    Sirimangkalakitti, Natchanun; Chamni, Supakarn; Charupant, Kornvika; Chanvorachote, Pithi; Mori, Nanae; Saito, Naoki; Suwanborirux, Khanit

    2016-08-26

    Eighteen 22-O-ester derivatives of jorunnamycin A (2) were prepared via 2, and their cytotoxicity against human non-small-cell lung cancer (NSCLC) cells was evaluated. Preliminary study of the structure-cytotoxicity relationship revealed that the ester part containing a nitrogen-heterocyclic ring elevated the cytotoxicity of the 22-O-ester derivatives. Among them, 22-O-(4-pyridinecarbonyl) ester 6a is the most potent compound (IC50 1.1 and 1.6 nM), exhibiting 21-fold and 5-fold increases in cytotoxicity against the H292 and H460 NSCLC cell lines, respectively, relative to renieramycin M (1), the major cytotoxic bistetrahydroisoquinolinequinone alkaloid of the Thai blue sponge Xestospongia sp. PMID:27487087

  2. The impact of thermal energy and materials derived from the hot spring drainage on the fish community near the estuary

    NASA Astrophysics Data System (ADS)

    Yamada, M.; Shoji, J.; Mishima, T.; Honda, H.; Fujii, M.; Ohsawa, S.; Taniguchi, M.

    2014-12-01

    Beppu is a region with many hot springs in Japan. Some of environmental studies of the rivers in this region (e.g. Kawano et al., 1998, Ohsawa et al., 2008) show that hot spring drainage flows into a river and then flow into the coastal are, and it strongly affects the river water quality. On the other hands, several kinds of tropical fish lives in those rivers (Hiramatu et al., 1995). We can easily have watched those fish there. Although the relationship between hot spring drainage and the fish community had not been investigated in the past in this area, it is easily assumed that thermal energy and materials derived from the hot spring drainage strongly affect the ecosystem. However, the impact of the hot spring drainage on the ecosystem in river and coastal area is not clear. We investigated the river water quality and physical property of six rivers in this region. Additionally, we investigated the fish community near the estuary at two rivers which are strongly affected by the hot spring drainage and not the influence of the hot spring at all. We tried an evaluation about the influence of thermal energy and materials derived from the hot spring drainage on the fish community near the estuary.The results of chemical and physical data in these rivers are as follows. The size of influence of hot spring drainage on river is different every river. In this region, Hirata River is most strongly affected by the hot spring drainage. The water temperature of Hirata River maintains 25 degrees Celsius or more through the year and the concentrations of dissolved component is very high. On the other hand, the water temperature and the concentrations of dissolved component of Hiya Rive is low. These data are similar to data of the upper side of Hirata River. The results of investigating the fish community indicate that Oreochromis niloticus and Rhinogobius giurinus is the dominant species at Hirata River and Hiya River respectively. In addition, there is more the number of

  3. Chemistry Division annual progress report for period ending January 31, 1986

    SciTech Connect

    Not Available

    1986-05-01

    This report has been indexed by 11 separate chapters. The subjects covered are: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, materials chemistry, chemistry of transuranium elements and compounds, separations chemistry, catalysis, electron spectroscopy, nuclear waste chemistry, heuristic modeling, and special topics. (PLG)

  4. High-etch-rate bottom-antireflective coating and gap-fill materials using dextrin derivatives in via first dual-Damascene lithography process

    NASA Astrophysics Data System (ADS)

    Takei, Satoshi; Sakaida, Yasushi; Shinjo, Tetsuya; Hashimoto, Keisuke; Nakajima, Yasuyuki

    2008-03-01

    The present paper describes a novel class of bottom antireflective coating (BARC) and gap fill materials using dextrin derivatives. The general trend of interconnect fabrication for such a high performance LSI is to apply cupper (Cu)/ low-dielectric-constant (low-k) interconnect to reduce RC delay. A via-first dual damascene process is one of the most promising processes to fabricate Cu/ low-k interconnect due to its wide miss-alignment margin. The sacrificial materials containing dextrin derivatives under resist for lithography were developed in via-first dual damascene process. The dextrin derivatives in this study was obtained by the esterification of the hydroxyl groups of dextrin resulting in improved solubility in the resist solvents such as propylene glycol monomethylether, propylene glycol monomethylether acetate, and ethyl lactate due to avoid the issue of defects that were caused by incompatability. The etch rate of our developed BARC and gap fill materials using dextrin derivatives was more than two times faster than one of the ArF resists evaluated in a CF4 gas condition using reactive ion etching. The improved etch performance was also verified by comparison with poly(hydroxystyrene), acrylate-type materials and latest low-k materials as a reference. In addition to superior etch performance, these materials showed good resist profiles and via filling performance without voids in via holes.

  5. Effect of human adipose tissue-derived mesenchymal-stem-cell bioactive materials on porcine embryo development.

    PubMed

    Park, Hyo-Young; Kim, Eun-Young; Lee, Seung-Eun; Choi, Hyun-Yong; Moon, Jeremiah Jiman; Park, Min-Jee; Son, Yeo-Jin; Lee, Jun-Beom; Jeong, Chang-Jin; Lee, Dong-Sun; Riu, Key-Jung; Park, Se-Pill

    2013-12-01

    Human adipose tissue-derived mesenchymal stem cells (hAT-MSCs) secrete bioactive materials that are beneficial for tissue repair and regeneration. In this study, we characterized human hAT-MSC bioactive material (hAT-MSC-BM), and examined the effect of hAT-MSC-BM on porcine embryo development. hAT-MSC-BM was enriched with several growth factors and cytokines, including fibroblast growth factor 2 (FGF2), vascular endothelial growth factor A (VEGFA), and interleukin 6 (IL6). Among the various concentrations and days of treatment tested, 10% hAT-MSC-BM treatment beginning on culture Day 4 provided the best environment for the in vitro growth of parthenogenetic porcine embryos. While the addition of 10% fetal bovine serum (FBS) increased the hatching rate and the total cell number of parthenogenetic porcine embryos compared with the control and hAT-MSC culture medium group, the best results were from the group cultured with 10% hAT-MSC-BM. Mitochondrial activity was also higher in the 10% hAT-MSC-BM-treated group. Moreover, the relative mRNA expression levels of development and anti-apoptosis genes were significantly higher in the 10% hAT-MSC-BM-treated group than in control, hAT-MSC culture medium, or 10% FBS groups, whereas the transcript abundance of an apoptosis gene was slightly lower. Treatment with 10% hAT-MSC-BM starting on Day 4 also improved the development rate and the total cell number of in vitro-fertilized embryos. This is the first report on the benefits of hAT-MSC-BM in a porcine embryo in vitro culture system. We conclude that hAT-MSC-BM is a new, alternative supplement that can improve the development of porcine embryos during both parthenogenesis and fertilization in vitro.

  6. Direct micromechanics derivation and DEM confirmation of the elastic moduli of isotropic particulate materials: Part I No particle rotation

    NASA Astrophysics Data System (ADS)

    Fleischmann, J. A.; Drugan, W. J.; Plesha, M. E.

    2013-07-01

    We derive the macroscopic elastic moduli of a statistically isotropic particulate aggregate material via the homogenization methods of Voigt (1928) (kinematic hypothesis), Reuss (1929) (static hypothesis), and Hershey (1954) and Kröner (1958) (self-consistent hypothesis), originally developed to treat crystalline materials, from the directionally averaged elastic moduli of three regular cubic packings of uniform spheres. We determine analytical expressions for these macroscopic elastic moduli in terms of the (linearized) elastic inter-particle contact stiffnesses on the microscale under the three homogenization assumptions for the three cubic packings (simple, body-centered, and face-centered), assuming no particle rotation. To test these results and those in the literature, we perform numerical simulations using the discrete element method (DEM) to measure the overall elastic moduli of large samples of randomly packed uniform spheres with constant normal and tangential contact stiffnesses (linear spring model). The beauty of DEM is that simulations can be run with particle rotation either prohibited or unrestrained. In this first part of our two-part series of papers, we perform DEM simulations with particle rotation prohibited, and we compare these results with our theoretical results that assumed no particle rotation. We show that the self-consistent homogenization assumption applied to the locally body-centered cubic (BCC) packing most accurately predicts the measured values of the overall elastic moduli obtained from the DEM simulations, in particular Poisson's ratio. Our new analytical self-consistent results lead to significantly better predictions of Poisson's ratio than all prior published theoretical results. Moreover, our results are based on a direct micromechanics analysis of specific geometrical packings of uniform spheres, in contrast to all prior theoretical analyses, which were based on difficult-to-verify hypotheses involving overall inter

  7. Facile synthesis of sewage sludge-derived in-situ multi-doped nanoporous carbon material for electrocatalytic oxygen reduction

    NASA Astrophysics Data System (ADS)

    Yuan, Shi-Jie; Dai, Xiao-Hu

    2016-06-01

    Developing efficient, low-cost, and stable carbon-based catalysts for oxygen reduction reaction (ORR) to replace the expensive platinum-based electrocatalysts remains a major challenge that hamper the practical application of fuel cells. Here, we report that N, Fe, and S co-doped nanoporous carbon material, derived via a facile one-step pyrolysis of sewage sludge, the major byproduct of wastewater treatment, can serve as an effective electrocatalyst for ORR. Except for the comparable catalytic activity with commercial 20% Pt/C via a nearly four-electron transfer pathway in both alkaline and acid medium, the as-synthesized co-doped electrocatalyst also exhibits excellent methanol crossover resistance and outstanding long-term operation stability. The organic compounds in sewage sludge act as the carbon source and the in-situ N and S dopant in the fabrication, while the inorganic compounds serve as the in-built template and the in-situ Fe dopant. Our protocol demonstrates a new approach in the economic and eco-friendly benign reuse of sewage sludge, and also provides a straightforward route for synthesizing excellent carbon-based electrocatalysts as promising candidates for ORR directly from a type of waste/pollution.

  8. Facile synthesis of sewage sludge-derived in-situ multi-doped nanoporous carbon material for electrocatalytic oxygen reduction

    PubMed Central

    Yuan, Shi-Jie; Dai, Xiao-Hu

    2016-01-01

    Developing efficient, low-cost, and stable carbon-based catalysts for oxygen reduction reaction (ORR) to replace the expensive platinum-based electrocatalysts remains a major challenge that hamper the practical application of fuel cells. Here, we report that N, Fe, and S co-doped nanoporous carbon material, derived via a facile one-step pyrolysis of sewage sludge, the major byproduct of wastewater treatment, can serve as an effective electrocatalyst for ORR. Except for the comparable catalytic activity with commercial 20% Pt/C via a nearly four-electron transfer pathway in both alkaline and acid medium, the as-synthesized co-doped electrocatalyst also exhibits excellent methanol crossover resistance and outstanding long-term operation stability. The organic compounds in sewage sludge act as the carbon source and the in-situ N and S dopant in the fabrication, while the inorganic compounds serve as the in-built template and the in-situ Fe dopant. Our protocol demonstrates a new approach in the economic and eco-friendly benign reuse of sewage sludge, and also provides a straightforward route for synthesizing excellent carbon-based electrocatalysts as promising candidates for ORR directly from a type of waste/pollution. PMID:27273314

  9. Chemistry Division annual progress report for period ending July 31, 1981

    SciTech Connect

    Not Available

    1982-01-01

    Research is reported on: chemistry of coal liquefaction, aqueous chemistry at high temperatures, geosciences, high-temperature chemistry and thermodynamics of structural materials, chemistry of TRU elements and compounds, separations chemistry, electrochemistry, nuclear waste chemistry, chemical physics, theoretical chemistry, inorganic chemistry of hydrogen cycles, molten salt systems, and enhanced oil recovery. Separate abstracts were prepared for the sections dealing with coal liquefaction, TRU elements and compounds, separations, nuclear wastes, and enhanced oil recovery. (DLC)

  10. The Kjeldahl method as a primary reference procedure for total protein in certified reference materials used in clinical chemistry. II. Selection of direct Kjeldahl analysis and its preliminary performance parameters.

    PubMed

    Vinklárková, Bára; Chromý, Vratislav; Šprongl, Luděk; Bittová, Miroslava; Rikanová, Milena; Ohnútková, Ivana; Žaludová, Lenka

    2015-01-01

    To select a Kjeldahl procedure suitable for the determination of total protein in reference materials used in laboratory medicine, we reviewed in our previous article Kjeldahl methods adopted by clinical chemistry and found an indirect two-step analysis by total Kjeldahl nitrogen corrected for its nonprotein nitrogen and a direct analysis made on isolated protein precipitates. In this article, we compare both procedures on various reference materials. An indirect Kjeldahl method gave falsely lower results than a direct analysis. Preliminary performance parameters qualify the direct Kjeldahl analysis as a suitable primary reference procedure for the certification of total protein in reference laboratories.

  11. Clues for biomimetics from natural composite materials

    PubMed Central

    Lapidot, Shaul; Meirovitch, Sigal; Sharon, Sigal; Heyman, Arnon; Kaplan, David L; Shoseyov, Oded

    2013-01-01

    Bio-inspired material systems are derived from different living organisms such as plants, arthropods, mammals and marine organisms. These biomaterial systems from nature are always present in the form of composites, with molecular-scale interactions optimized to direct functional features. With interest in replacing synthetic materials with natural materials due to biocompatibility, sustainability and green chemistry issues, it is important to understand the molecular structure and chemistry of the raw component materials to also learn from their natural engineering, interfaces and interactions leading to durable and highly functional material architectures. This review will focus on applications of biomaterials in single material forms, as well as biomimetic composites inspired by natural organizational features. Examples of different natural composite systems will be described, followed by implementation of the principles underlying their composite organization into artificial bio-inspired systems for materials with new functional features for future medicine. PMID:22994958

  12. From chemistry to materials, design and photophysics of functional terbium molecular hybrids from assembling covalent chromophore to alkoxysilanes through hydrogen transfer addition

    SciTech Connect

    Yan Bing . E-mail: byan@tongji.edu.cn; Ma Dongjie

    2006-07-15

    Two silica-based organic-inorganic hybrid materials composed of phenol (PHE) and ethyl-p-hydroxybenzoate derivatives (abbreviated as EPHBA) complexes were prepared via a sol-gel process. The active hydroxyl groups of PHE/EPHBA grafted by 3-(triethoxysilyl)-propyl isocyanate (TESPIC) through hydrogen transfer reaction were used as multi-functional bridged components, which can coordinate to Tb{sup 3+} with carbonyl groups, strongly absorb ultraviolet and effectively transfer energy to Tb{sup 3+} through their triplet excited state, as well as undergo polymerization or crosslinking reactions with tetraethoxysilane (TEOS), for anchoring terbium ions to the silica backbone. For comparison, two doped hybrid materials in which rare-earth complexes were just encapsulated in silica-based sol-gel matrices were also prepared. NMR, FT-IR, UV/vis absorption and luminescence spectroscopy were used to investigate the obtained hybrid materials. UV excitation in the organic component resulted in strong green emission from Tb{sup 3+} ions due to an efficient ligand-to-metal energy transfer mechanism. - Graphical abstract: The active hydroxyl groups of phenol/ethyl-p-hydroxybenzoate grafted by 3-(triethoxysilyl)-propyl isocyanate (TESPIC) through hydrogen transfer reaction were used as multi-functional bridged components, which can coordinate to Tb{sup 3+} with carbonyl groups, strongly absorb ultraviolet and effectively transfer energy to Tb{sup 3+} through their triplet excited state, as well as undergo polymerization or crosslinking reactions with tetraethoxysilane (TEOS), for anchoring terbium ions to the silica backbone with covalently bonded.

  13. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents procedures, experiments, demonstrations, teaching suggestions, and information on a variety of chemistry topics including, for example, inert gases, light-induced reactions, calculators, identification of substituted acetophenones, the elements, analysis of copper minerals, extraction of metallic strontium, equilibrium, halogens, and…

  14. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  15. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Short articles on the alkylation of aniline, the preparation and properties of perbromate, using scrap copper in chemistry instruction, a safe method of burning hydrogen, and the use of an ion-charge model as an alternative to the mole concept in secondary school instruction. (AL)

  16. Confectionary Chemistry.

    ERIC Educational Resources Information Center

    Levine, Elise Hilf

    1996-01-01

    Presents activities and demonstrations that enable teachers to use various types of confections as tactile experiences to spark chemistry students' interest and generate enthusiasm for learning. Presents uses of candy in teaching about atomic structure, spontaneous nuclear decay, chemical formulas, fractoluminescence, the effect of a molecular…

  17. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1976

    1976-01-01

    Describes several chemistry projects, including solubility, formula for magnesium oxide, dissociation of dinitrogen tetroxide, use of 1-chloro-2, 4-dinitrobenzene, migration of ions, heats of neutralizations, use of pocket calculators, sonic cleaning, oxidation states of manganese, and cell potentials. Includes an extract from Chemical Age on…

  18. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes some laboratory apparatus, chemistry experiments and demonstrations, such as a Kofler block melting point apparatus, chromatographic investigation of the phosphoric acid, x-ray diffraction, the fountain experiment, endothermic sherbet, the measurement of viscosity, ionization energies and electronic configurations. (GA)

  19. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1980

    1980-01-01

    Presents 12 chemistry notes for British secondary school teachers. Some of these notes are: (1) a simple device for testing pH-meters; (2) portable fume cupboard safety screen; and (3) Mass spectroscopy-analysis of a mass peak. (HM)

  20. Exploratory studies to investigate a linked prebiotic origin of RNA and coded peptides. 2nd communication. Derivation and reactivity of xylose phosphates.

    PubMed

    Smith, James M; Borsenberger, Vinciane; Raftery, Jim; Sutherland, John D

    2004-10-01

    The potentially prebiotic synthesis of ribo-nucleotides by stepwise pyrimidine nucleobase assembly on arabinose-3-phosphate derivatives has been demonstrated in previous work. Consideration of the provenance of pentose phosphates, by aldolisation or sugar phosphorylation, suggested that 2-phosphate derivatives might be generated more easily than 3-phosphate derivatives. In the 2-phosphate series, nucleobase-assembly chemistry to give ribo-nucleotides/nucleic acid can be envisaged from xylo-configured starting materials. In this paper, the derivation of xylose-2-phosphate derivatives by aldol chemistry and attempts to demonstrate subsequent pyrimidine nucleobase assembly are reported.