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. 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.

  4. 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.

  5. 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)

  6. Freshman Chemistry and Materials at NJIT.

    ERIC Educational Resources Information Center

    Getzin, Donald R.

    1985-01-01

    Describes an interdisciplinary chemistry course at the New Jersey Institute of Technology (NJIT) in which at least one quarter of the time is devoted to materials science. Includes information on course content, laboratory work, and assessment of student performance on chemistry and materials science topics. (JN)

  7. Strategic thinking in chemistry and materials

    SciTech Connect

    1995-11-01

    Science and technology challenges facing the Chemistry and Materials program relate to the fundamental problem of addressing the critical needs to improve our understanding of how nuclear weapons function and age, while experiencing increased pressures to compensate for a decreasing technology base. Chemistry and materials expertise is an enabling capability embedded within every aspect of nuclear weapons design, testing, production, surveillance and dismantlement. Requirements to capture an enduring chemistry and materials technology base from throughout the integrated contractor complex have promoted a highly visible obligation on the weapons research and development program. The only successful response to this challenge must come from direct improvements in effectiveness and efficiency accomplished through improved understanding. Strategic thinking has generated the following three overarching focus areas for the chemistry and materials competency: As-built Materials Characterization and Performance; Materials Aging; and, Materials Synthesis and Processing.

  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. 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.

  10. 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

  11. The Chemistry of Modern Dental Filling Materials

    NASA Astrophysics Data System (ADS)

    Nicholson, John W.; Anstice, H. Mary

    1999-11-01

    The chemistry underpinning modern tooth-colored dental fillings is described. Two broad groups of material are covered, the so-called composite resins and the glass-ionomer cements. Composite resins consist of bulky difunctional monomers together with high loadings of powdered inorganic fillers, and they set by addition polymerization. Glass-ionomers consist of aqueous polymeric acids, such as polyacrylic acid, plus basic glass powders. They set by a neutralization reaction, but leave a substantial amount of the glass unreacted, to act as reinforcing filler. Various attempts have been made to combine the attractive properties of these materials, and the different types of hybrids of them are described. The importance of chemistry to this important branch of health care is emphasized.

  12. 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.

  13. 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.

  14. 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…

  15. Introduction of Materials Science Through Solid State Chemistry.

    ERIC Educational Resources Information Center

    Mueller, William M.

    Presented is a report of a program of the American Society for Metals, designed to introduce materials science principles via solid state chemistry into high school chemistry courses. At the time of the inception of this program in the mid-sixties, it was felt that high school students were not being adequately exposed to career opportunities in…

  16. 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.

  17. Materials derived from biomass/biodegradable materials.

    PubMed

    Luzier, W D

    1992-02-01

    Interest in biodegradable plastics made from renewable resources has increased significantly in recent years. PHBV (polyhydroxybutyrate-polyhydroxyvalerate) copolymers are good examples of this type of materials. This paper provides an overview of the manufacturing process, properties, biodegradability, and application/commercial issues associated with PHBV copolymers. They are naturally produced by bacteria from agricultural raw materials, and they can be processed to make a variety of useful products, where their biodegradability and naturalness are quite beneficial. PHBV copolymers are still in the first stage of commercialization. But they are presented in this paper as an example of how new technology can help meet society's needs for plastics and a clean environment. PMID:1736301

  18. Parametric distributions of regional lake chemistry: Fitted and derived

    SciTech Connect

    Small, M.J.; Sutton, M.C.; Milke, M.W. )

    1988-02-01

    Parametric probability distribution functions are determined for regional lake chemistry in four subregions of the Eastern Lake Survey (ELS) of the US EPA National Surface Water Survey. The subregions are the Adirondacks, northeastern Minnesota, northcentral Wisconsin, and the Southern Blue Ridge Province. ANC data are fit with a three-parameter lognormal distribution, and the distributions of pH and total base cations are derived from physically based relationships estimated for each region. The parametric distribution functions provide very good representations of observed data in each area, with the exception of northcentral Wisconsin, where bimodal ANC and base cation distributions are observed, suggesting the need for a mixture of distributions. The derived distributions of pH allow for interregional comparison, with unimodal pH distributions in unacidified areas and bimodal pH distributions in regions impacted by acid deposition. Future research of regional variations in water chemistry is proposed in the context of the correlation structure of large-scale spatial variations of soil and geologic properties.

  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. 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.

  1. 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…

  2. Computer information resources of inorganic chemistry and materials science

    NASA Astrophysics Data System (ADS)

    Kiselyova, N. N.; Dudarev, V. A.; Zemskov, V. S.

    2010-02-01

    Information systems used in inorganic chemistry and materials science are considered. The following basic trends in the development of modern information systems in these areas are highlighted: access to information via the Internet, merging of documental and factual databases, involvement of experts in the evaluation of the data reliability, supplementing databases with information analysis tools on the properties of inorganic substances and materials.

  3. 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.

  4. 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

  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. 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.

  8. 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.

  9. 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. PMID:26558881

  10. 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)

  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 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)

  13. 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

  14. Lignin-Derived Advanced Carbon Materials

    SciTech Connect

    Chatterjee, Sabornie; Saito, Tomonori

    2015-01-01

    Lignin is a highly abundant source of renewable carbon that can be considered as a valuable sustainable source of biobased materials. By application specific pretreatments and manufacturing method, lignin can be converted to a variety of value added carbon materials. However, the physical and chemical heterogenitites in lignin complicate its use as a feedstock. In this review, lignin manufacturing process, effects of pretreatments and manufacturing methods on the properties of lignin, properties and applications of various lignin derived carbon materials such as carbon fibers, carbon mats, activated carbons, carbon films; are discussed.

  15. 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. PMID:26568373

  16. 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.

  17. 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.

  18. 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.

  19. 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...

  20. 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.

  1. Lignin-Derived Advanced Carbon Materials

    DOE PAGESBeta

    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

  2. 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.

  3. 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.

  4. Chemistry and properties of blends of acetylene terminated materials

    NASA Technical Reports Server (NTRS)

    Connell, John W.; Hergenrother, Paul M.

    1991-01-01

    As part of a NASA program to develop new high temperature/high performance structural materials, the chemistry and properties of acetylene-containing materials and their cured resins are under investigation. The objective of this work is to develop materials that are readily processable (i.e., 200-300 C and about 1.4 MPa or less) and possess usable mechanical properties at temperatures as high as 177 C. An acetylene-terminated aspartimide (ATA) was blended with an equal weight of an acetylene-terminated arylene ether (ATAE) oligomer. The blend was subsequently thermally cured to yield a resin which was evaluated in the form of neat resin moldings, adhesive specimens, and laminates. Adhesive specimens and laminates gave good mechanical properties to temperatures as high as 177 C. In addition, preliminary laminate work is presented on the resin from a blend of a new N-methyl substituted ATA and an ATAE.

  5. 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.

  6. 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…

  7. 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

  8. 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.

  9. 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. PMID:23954933

  10. 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.

  11. Surface Chemistry and Water Dispersability of Carbon Black Materials

    SciTech Connect

    Contescu, Cristian I; Baker, Frederick S; Burchell, Timothy D

    2006-01-01

    Formulation of water-stable carbon black dispersions is a double-sided task, which requires selection of a proper dispersing agents and matching it with the properties of a specific carbon black. Among other properties that affect water dispersability of carbon blacks (particle size, surface area, and aggregate structure), surface chemistry plays a prime-order role. We have characterized physical and chemical properties of several carbon black materials, and correlated them with the stability of dispersions formed with ionic and non-ionic surfactants. In particular, chemical characterization of surface functional groups on carbon blacks based on potentiometric titration measurements (pKa spectra) provided a comprehensive picture of pH effects on dispersion stability. The results obtained were complemented by information from physical characterization methods, such as XPS and FTIR. The selection of a suitable dispersing agent able to withstand large pH variations will be discussed.

  12. 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.

  13. Role of surface chemistry in the ignition of pyrotechnic materials

    SciTech Connect

    Moddeman, W.E.; Collins, L.W.; Wang, P.S.; Wittberg, T.N.

    1980-01-01

    The surface chemistry of fuels has been shown to play a key role in the ignition of pyrotechnic materials. Since these fuels are usually easily oxidized, the surface must provide protection from undesirable oxidation processes such as pyrophoricity while permitting the desirable pyrotechnic reactions. For both titanium and aluminum, these criteria are met by metal oxide coatings which control the accessibility of the fuel to the oxidizer. However, we have shown that the mechanisms through which this control is exerted are substantially different. The ignition of titanium based pyrotechnics seems to be kinetically controlled by the dissolution of the titanium oxide coating to generate a reactive surface for the pyrotechnic reaction. Reactions of aluminum seem to depend on diffusion of aluminum (or oxygen at higher temperatures) through its oxide coating. It was also shown that the accessibility of aluminum can be improved by alloying.

  14. 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.

  15. 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)

  16. 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…

  17. 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.

  18. 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.

  19. 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.

  20. Chemistry of zerumbone. 2. Regulation of ring bond cleavage and unique antibacterial activities of zerumbone derivatives.

    PubMed

    Kitayama, T; Yamamoto, K; Utsumi, R; Takatani, M; Hill, R K; Kawai, Y; Sawada, S; Okamoto, T

    2001-10-01

    Further investigation of the chemistry of the eleven-membered cyclic sesquiterpene, zerumbone, the major component of the wild ginger, Zingiber zerumbet Smith, has revealed a new selective epoxidation process, a further example of a novel Favorskii-initiated double ring contraction, and a regiospecific fragmentation of zerumbone dibromide derivatives. Several zerumbone derivatives were found to be selective inhibitors of the growth of gram-positive bacteria. PMID:11758909

  1. 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…

  2. "Host-guest" chemistry in the synthesis of ordered nonsiliceous mesoporous materials.

    PubMed

    Wan, Ying; Yang, Haifeng; Zhao, Dongyuan

    2006-07-01

    On the basis of the consideration of "host-guest" chemistry, the interactions between guest molecules are highlighted in the synthesis of nonsiliceous mesoporous materials by the "soft-template" and "hard-template" approaches. A generalized "acid-base pair" concept is utilized in selecting appropriate guest molecules to prepare highly ordered mesoporous metal oxides, phosphates, and borates with diversified structures. Mesoscopically ordered polymer and carbon frameworks with uniformly large pore sizes are derived from the self-assembly of an organic surfactant with an organic guest. Properly building the guest unit and decorating the host are important in replicating ordered nonsiliceous single-crystal nanoarrays. Outlooks on the potential possibilities for synthesizing ordered mesoporous nonsiliceous materials are presented as well. PMID:16846206

  3. Surface chemistry relevant to material processing for semiconductor devices

    NASA Astrophysics Data System (ADS)

    Okada, Lynne Aiko

    Metal-oxide-semiconductor (MOS) structures are the core of many modern integrated circuit (IC) devices. Each material utilized in the different regions of the device has its own unique chemistry. Silicon is the base semiconductor material used in the majority of these devices. With IC device complexity increasing and device dimensions decreasing, understanding material interactions and processing becomes increasingly critical. Hsb2 desorption is the rate-limiting step in silicon growth using silane under low temperature conditions. Activation energies for Hsb2 desorption measured during Si chemical vapor deposition (CVD) versus single-crystal studies are found to be significantly lower. It has been proposed that defect sites on the silicon surface could explain the observed differences. Isothermal Hsb2 desorption studies using laser induced thermal desorption (LITD) techniques have addressed this issue. The growth of low temperature oxides is another relevant issue for fabrication of IC devices. Recent studies using 1,4-disilabutane (DSB) (SiHsb3CHsb2CHsb2SiHsb3) at 100sp°C in ambient Osb2 displayed the successful low temperature growth of silicon dioxide (SiOsb2). However, these studies provided no information about the deposition mechanism. We performed LITD and Fourier transform infrared (FTIR) studies on single-crystal and porous silicon surfaces to examine the adsorption, decomposition, and desorption processes to determine the deposition mechanism. Titanium nitride (TiN) diffusion barriers are necessary in modern metallization structures. Controlled deposition using titanium tetrachloride (TiClsb4) and ammonia (NHsb3) has been demonstrated using atomic layered processing (ALP) techniques. We intended to study the sequential deposition method by monitoring the surface intermediates using LITD techniques. However, formation of a Cl impurity source, ammonium chloride (NHsb4sp+Clsp-), was observed, thereby, limiting our ability for effective studies. Tetrakis

  4. 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

  5. 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…

  6. 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

  7. 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…

  8. 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.

  9. 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.

  10. 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…

  11. 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.

  12. Development and assessment of green, research-based instructional materials for the general chemistry laboratory

    NASA Astrophysics Data System (ADS)

    Cacciatore, Kristen L.

    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 improving student learning outcomes in general chemistry when used comprehensively in the general chemistry laboratory. Little prior research exists about effects on student learning about green chemistry. A novel experimental protocol called Laboratory Report Templates (LRT) was designed, and three LRT experiments and supplemental materials for the general chemistry laboratory were created utilizing the principles of green chemistry and current research findings on student learning. These experiments were successfully field-tested and implemented in university and high school settings. This work represents an important contribution to science curriculum design because the LRT protocol uniquely motivates development of students' scientific communication skills and has wide potential applicability. A study comparing student learning of chemistry content and experimental design skills following completion of one of the LRT experiments or a traditional experiment on identical chemistry content was conducted. Study results indicate that students who completed the LRT experiment learned significantly more content and experimental skills directly related to the content of the experiment than did students who completed the traditional experiment. This study demonstrates that changing one lab in general chemistry curricula from traditional to research-based has a positive effect on student learning. This finding is important because incremental curricular change is a promising alternative to the wholesale curricular change that has been shown to be effective, because an incremental approach minimizes the most common barriers to change

  13. 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.

  14. 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

  15. 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

  16. 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…

  17. 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…

  18. 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

  19. 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…

  20. Selective Bifunctional Modification of a Non-catenated Metal-Organic Framework Material via 'Click' Chemistry

    SciTech Connect

    Gadzikwa, Tendai; Farha, Omar K.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Hupp, Joseph T.; Nguyen, SonBinh T.; NWU

    2009-12-01

    A noncatenated, Zn-based metal-organic framework (MOF) material bearing silyl-protected acetylenes was constructed and postsynthetically modified using 'click' chemistry. Using a solvent-based, selective deprotection strategy, two different organic azides were 'clicked' onto the MOF crystals, resulting in a porous material whose internal and external surfaces are differently functionalized.

  1. 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.

  2. 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. PMID:26248311

  3. 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. PMID:20942474

  4. 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.

  5. 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

  6. Novel types of carborane-carrier hyaluronan derivatives via "click chemistry".

    PubMed

    Di Meo, Chiara; Panza, Luigi; Campo, Federica; Capitani, Donatella; Mannina, Luisa; Banzato, Alessandra; Rondina, Maria; Rosato, Antonio; Crescenzi, Vittorio

    2008-07-01

    Two new HA derivatives bearing carborane rings were synthesized by click chemistry. The optimal conditions were assessed for the preparation of biocompatible boron carriers, potentially suitable for application in BNCT and capable of targeting the CD44 antigen. The new polymeric samples were characterized by means of NMR-spectroscopy techniques that gave degrees of 17 and 8% for HAAACB and HapACB, respectively. Both HAAACB and HApACB turned out to be nontoxic for colorectal, ovarian and bladder tumor cell lines, to disclose a specific interaction with the CD44 antigen as the native hyaluronan moiety, and to deliver boron-atom concentrations largely sufficient for BNCT therapy when accumulated in cancer cells. PMID:18412288

  7. Toward self-constructing materials: a systems chemistry approach.

    PubMed

    Giuseppone, Nicolas

    2012-12-18

    To design the next generation of so-called "smart" materials, researchers will need to develop chemical systems that respond, adapt, and multitask. Because many of these features occur in living systems, we expect that such advanced artificial systems will be inspired by nature. In particular, these new materials should ultimately combine three key properties of life: metabolism, mutation, and self-replication. In this Account, we discuss our endeavors toward the design of such advanced functional materials. First, we focus on dynamic molecular libraries. These molecular and supramolecular chemical systems are based on mixtures of reversibly interacting molecules that are coupled within networks of thermodynamic equilibria. We will explain how the superimposition of combinatorial networks at different length scales of structural organization can provide valuable hierarchical dynamics for producing complex functional systems. In particular, our experimental results highlight why these libraries are of interest for the design of responsive materials and how their functional properties can be modulated by various chemical and physical stimuli. Then, we introduce examples in which these dynamic combinatorial systems can be coupled to kinetic feedback loops to produce self-replicating pathways that amplify a selected component from the equilibrated libraries. Finally, we discuss the discovery of highly functional self-replicating supramolecular assemblies that can transfer an electric signal in space and time. We show how these wires can be directly incorporated within an electronic nanocircuit by self-organization and functional feedback loops. Because the network topologies act as complex algorithms to process information, we present these systems in this order to provide context for their potential for extending the current generation of responsive materials. We propose a general description for a potential autonomous (self-constructing) material. Such a system

  8. 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.

  9. Symbolic derivation of material property matrices in finite element analysis

    NASA Technical Reports Server (NTRS)

    Tan, H. Q.

    1988-01-01

    The principles and operation of MMAX, a symbolic-computation program which automates the process of generating property matrices for structural materials, are briefly described and illustrated with sample analyses of a rubberlike material and an elastoplastic material. MMAX is written in LISP under the symbolic finite-element generator FINGER and the general symbolic manipulator MACSYMA; it first derives the formulas required by mathematical manipulation, and then translates the formulas into FORTRAN code, adapted to the particular type of machine to be used for the numerical calculations. This approach is shown to combine efficiently the advantages of symbolic and numerical computation for engineering applications.

  10. 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

  11. Organometallic chemistry meets crystal engineering to give responsive crystalline materials.

    PubMed

    Bacchi, A; Pelagatti, P

    2016-01-25

    Dynamically porous crystalline materials have been obtained by engineering organometallic molecules. This feature article deals with organometallic wheel-and-axle compounds, molecules with two relatively bulky groups (wheels) connected by a linear spacer. The wheels are represented by half-sandwich Ru(ii) moieties, while the spacer can be covalent or supramolecular in character. Covalent spacers are obtained using divergent bidentate ligands connecting two [(arene)RuX2] groups. Supramolecular spacers are instead obtained by exploiting the dimerization of COOH or C(O)NH2 groups appended to N-based ligands. A careful choice of ligand functional groups and X ligands leads to the isolation of crystalline materials with remarkable host-guest properties, evidenced by the possibility of reversibly capturing/releasing volatile guests through heterogenous solid-gas reactions. Structural correlations between the crystalline arrangement of the apohost and the host-guest compounds allow us to envisage the structural path followed by the system during the exchange processes. PMID:26673552

  12. 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

  13. 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.

  14. Click chemistry functionalization improving the wideband optical-limiting performance of fullerene derivatives.

    PubMed

    Liu, Xiong; Wang, Dong; Gao, Hong; Yang, Zhou; Xing, Yan; Cao, Hui; He, Wanli; Wang, Huihui; Gu, Jianming; Hu, Huiying

    2016-03-14

    A novel kind of monodonor-bisacceptor (D-A-A) C60 charge-transfer complex was synthesized by the high-yielding [2+2] click chemistry reaction and the Prato reaction. Both electrochemical and UV-vis spectra studies were carried out and they proved that the side groups of the fullerene derivatives played an important role in the energy gaps, and also affected the third-order non-linear optical response. The experimental investigation on the third-order non-linear optical phenomena of the fullerene derivatives was measured using the Z-scan technique at different wavelengths (532 nm and 1064 nm). All the compounds exhibited very special non-linear optical properties when pumped by 21 ps pulses at 532 nm which suggested that there were two different types of reversible photo-isomerization. The optical-limiting performance has also been studied which proved indirectly the mechanism models of the reversible photo-isomerization. PMID:26899312

  15. 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.

  16. 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.

  17. Sol Gel-Derived SBA-16 Mesoporous Material

    PubMed Central

    Rivera-Muñoz, Eric M.; Huirache-Acuña, Rafael

    2010-01-01

    The aim of this article is to review current knowledge related to the synthesis and characterization of sol gel-derived SBA-16 mesoporous silicas, as well as a review of the state of the art in this issue, to take stock of knowledge about current and future applications. The ease of the method of preparation, the orderly structure, size and shape of their pores and control, all these achievable through simple changes in the method of synthesis, makes SBA-16 a very versatile material, potentially applicable in many areas of science and molecular engineering of materials. PMID:20957080

  18. 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

  19. Gas turbine materials evaluation program utilizing coal derived gaseous fuel

    NASA Astrophysics Data System (ADS)

    Williams, M. L.; Yates, C. C.; Manning, G. B.; Peterson, R. R.

    1981-03-01

    A gas turbine materials evaluation test facility under the sponsorship of the U.S. Department of Energy is described. The objective of the mobile test facility is to obtain dynamic and static test data on the erosion/corrosion characteristics of materials exposed to the hot products of the combustion of coal-derived fuels. The engine being utilized for the tests is the WR 24-7 aircraft turbojet unit reconfigurated to burn coke oven gas. Approximately 100 hours of engine operating time have been logged to date.

  20. 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

  1. Photoinduced development of antibacterial materials derived from isosorbide moiety.

    PubMed

    Lorenzini, Cedric; Haider, Adnan; Kang, Inn-Kyu; Sangermano, Marco; Abbad-Andalloussi, Samir; Mazeran, Pierre-Emmanuel; Lalevée, Jacques; Renard, Estelle; Langlois, Valérie; Versace, Davy-Louis

    2015-03-01

    A straightforward method for immobilizing in situ generated silver nanoparticles on the surface of a photoactivable isosorbide-derived monomer is developed with the objective to design a functional material having antibacterial properties. The photoinduced thiol-ene mechanism involved in these syntheses is described by the electron spin resonance/spin trapping technique. The resulting materials with or without silver nanoparticles (Ag NPs) were used as films or as coatings on glass substrate. The surface of the synthesized materials was characterized by X-ray photoelectron spectroscopy and scanning electron microscopy, and their thermal and mechanical properties were evaluated by dynamic-mechanical thermal tests, differential scanning calorimetry, thermogravimetric analyses, along with pencil hardness, nanoindentation, and scratch resistance tests. The photoinduced formation of Ag NPs is also confirmed by UV spectrophotometry. Finally, a primary investigation demonstrates the antibacterial properties of the isosorbide-derived material against Staphylococcus aureus and Escherichia coli, as well as its cytocompatibility toward NIH 3T3 fibroblastic cells. PMID:25633575

  2. 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

  3. 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

  4. Click chemistry inspired synthesis and bioevaluation of novel triazolyl derivatives of osthol as potent cytotoxic agents.

    PubMed

    Farooq, Saleem; Shakeel-u-Rehman; Hussain, Aashiq; Hamid, Abid; Qurishi, Mushtaq A; Koul, Surrinder

    2014-09-12

    A new series of diverse triazoles linked through the hydroxyl group of lactone ring opened osthol (1) were synthesized using click chemistry approach. All the derivatives were subjected to 3-(4,5-Dimethylthiazol-yl)-diphenyl tetrazoliumbromide (MTT) cytotoxicity screening against a panel of seven different human cancer cell lines viz. colon (colo-205), colon (HCT-116), breast (T47D), lung (NCI-H322), lung (A549), prostate (PC-3) and Skin (A-431) to check their cytotoxic potential. Interestingly, among the tested molecules, most of the analogs displayed better cytotoxic activity than the parent osthol (1). Of the synthesized triazoles, compounds 8 showed the best activity with IC50 of 1.3, 4.9, 3.6, 41.0, 35.2, 26.4 and 7.2 μM against colon (Colo-205 and HCT-116), breast (T47D), lung (NCI-H322 and A549), prostate (PC-3) and Skin (A-431) cancer lines respectively. Compound 8 induced potent apoptotic effects in Colo-205 cells. The population of apoptotic cells increased from 11.4% in case of negative control to 24.1% at 25 μM of 8. Compound 8 also induced a remarkable decrease in mitochondrial membrane potential (ΛΨm) leading to apoptosis of cancer cells used. The present study resulted in identification of broad spectrum cytotoxic activity of analogs bearing electron withdrawing substituents, besides the enhanced selective activity of analogs with electron donating moieties. PMID:25062005

  5. 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.

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

    DOE PAGESBeta

    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.

  7. 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

  8. 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.

  9. 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

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. Tailoring material properties of a nanofibrous extracellular matrix derived hydrogel

    NASA Astrophysics Data System (ADS)

    Johnson, Todd D.; Lin, Stephen Y.; Christman, Karen L.

    2011-12-01

    In the native tissue, the interaction between cells and the extracellular matrix (ECM) is essential for cell migration, proliferation, differentiation, mechanical stability, and signaling. It has been shown that decellularized ECMs can be processed into injectable formulations, thereby allowing for minimally invasive delivery. Upon injection and increase in temperature, these materials self-assemble into porous gels forming a complex network of fibers with nanoscale structure. In this study we aimed to examine and tailor the material properties of a self-assembling ECM hydrogel derived from porcine myocardial tissue, which was developed as a tissue specific injectable scaffold for cardiac tissue engineering. The impact of gelation parameters on ECM hydrogels has not previously been explored. We examined how modulating pH, temperature, ionic strength, and concentration affected the nanoscale architecture, mechanical properties, and gelation kinetics. These material characteristics were assessed using scanning electron microscopy, rheometry, and spectrophotometry, respectively. Since the main component of the myocardial matrix is collagen, many similarities between the ECM hydrogel and collagen gels were observed in terms of the nanofibrous structure and modulation of properties by altering ionic strength. However, variation from collagen gels was noted for the gelation temperature along with varied times and rates of gelation. These discrepancies when compared to collagen are likely due to the presence of other ECM components in the decellularized ECM based hydrogel. These results demonstrate how the material properties of ECM hydrogels could be tailored for future in vitro and in vivo applications.

  16. 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. PMID:25160951

  17. Materials Chemistry of BaFe2As2: A Model Platform for Unconventional Superconductivity

    SciTech Connect

    Mandrus, David; Safa-Sefat, Athena; McGuire, Michael A; Sales, Brian C

    2010-01-01

    BaFe{sub 2}As{sub 2} is the parent compound of a family of unconventional superconductors with critical temperatures approaching 40 K. BaFe{sub 2}As{sub 2} is structurally simple, available as high-quality large crystals, can be both hole and electron doped, and is amenable to first-principles electronic structure calculations. BaFe{sub 2}As{sub 2} has a rich and flexible materials chemistry that makes it an ideal model platform for the study of unconventional superconductivity. The key properties of this family of materials are briefly reviewed.

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

    PubMed

    Cao, Binrui; Yang, Mingying; Mao, Chuanbin

    2016-06-21

    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 osteogenic

  19. 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.

  20. Surface-Enhanced Raman Spectroscopy as a Probe of the Surface Chemistry of Nanostructured Materials.

    PubMed

    Dick, Susan; Konrad, Magdalena P; Lee, Wendy W Y; McCabe, Hannah; McCracken, John N; Rahman, Taifur M D; Stewart, Alan; Xu, Yikai; Bell, Steven E J

    2016-07-01

    Surface-enhanced Raman spectroscopy (SERS) is now widely used as a rapid and inexpensive tool for chemical/biochemical analysis. The method can give enormous increases in the intensities of the Raman signals of low-concentration molecular targets if they are adsorbed on suitable enhancing substrates, which are typically composed of nanostructured Ag or Au. However, the features of SERS that allow it to be used as a chemical sensor also mean that it can be used as a powerful probe of the surface chemistry of any nanostructured material that can provide SERS enhancement. This is important because it is the surface chemistry that controls how these materials interact with their local environment and, in real applications, this interaction can be more important than more commonly measured properties such as morphology or plasmonic absorption. Here, the opportunity that this approach to SERS provides is illustrated with examples where the surface chemistry is both characterized and controlled in order to create functional nanomaterials. PMID:26822589

  1. 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.

  2. 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)

  3. Novel chemistries and materials for grid-scale energy storage: Quinones and halogen catalysis

    NASA Astrophysics Data System (ADS)

    Huskinson, Brian Thomas

    In this work I describe various approaches to electrochemical energy storage at the grid-scale. Chapter 1 provides an introduction to energy storage and an overview of the history and development of flow batteries. Chapter 2 describes work on the hydrogen-chlorine regenerative fuel cell, detailing its development and the record-breaking performance of the device. Chapter 3 dives into catalyst materials for such a fuel cell, focusing on ruthenium oxide based alloys to be used as chlorine redox catalysts. Chapter 4 introduces and details the development of a performance model for a hydrogen-bromine cell. Chapter 5 delves into the more recent work I have done, switching to applications of quinone chemistries in flow batteries. It focuses on the pairing of one particular quinone (2,7-anthraquinone disulfonic acid) with bromine, and highlights the promising performance characteristics of a device based on this type of chemistry.

  4. 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.

  5. 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).

  6. 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

  7. 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.

  8. 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

  9. 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

  10. Chemistry and structure of coal derived asphaltenes and preasphaltenes. Quarterly progress report, January-March 1980

    SciTech Connect

    Yen, T.F.

    1980-01-01

    The following conclusions are drawn: (1) the aromaticity of petroleum-derived asphaltene (f/sub a/ = 0.2-0.5) is lower than that of coal-derived asphaltene (f/sub a/ = 0.6-0.7). (2) The aromatic ring systems within petroleum-derived asphaltene are much more ccondensed (peri) (H/sub aru//C/sub ar/ = 0.3-0.5) than that of coal-derived asphaltene (kata)(H/sub aru//C/sub ar/ = 0.5-0.7). (3) The substituents of the petroleum-derived asphaltenes are longer (n = 4-6) than those of coal-derived asphaltenes (n = 1). (4) The aromatic system of petroleum-derived asphaltene is extensively substituted (70 to 80%), whereas the coal-derived asphaltene is sparingly substituted (35 to 45%). (5) The molecular weight of petroleum-derived asphaltene is ca. 10 times higher than that of the coal-derived asphaltene. (6) Petroleum-derived asphaltene is less reactive to physical or chemical agents than that of coal-derived asphaltene. (7) Petroleum-derived asphaltene is more highly associated (Me = 5-7) than that of coal-derived asphaltene (Me-2-4). This will be reflected in the ease of processing. (8) Petroleum-derived asphaltene is less poplar than the coal-derived asphaltene.

  11. 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

  12. 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…

  13. Light-emitting carbazole derivatives for electroluminescent materials

    NASA Astrophysics Data System (ADS)

    Lin, Jiann T.; Thomas, K. R. J.; Tao, Yu-Tai; Ko, Chung-Wen

    2002-02-01

    Amorphous carbazole derivatives containing peripheral diarylamines at the 3- and 6-positions and an ethyl or aryl substituent at the 9-position of the carbazole moiety have been synthesized. These new carbazole compounds (carbs) possess high glass transition temperatures (Tg: 120- 194 degree(s)C) and high thermal decomposition temperatures (Td>450 degree(s)C). The compounds are weakly to moderately luminescent with the emission wavelength ranging from green to blue. Two types of light-emitting diodes (LED) were constructed from carb:(I)ITO/carb/TPBI/Mg:Ag and (II)ITO/carb/Alq3/Mg:Ag, where TPBI and Alq3 are 1,3,5-tris(N-phenylbenzimidazol-2-yl)benzene and tris(8- hydroxyquinoline) aluminum, respectively. In type I devices the carb functions as the hole-transporting as well as emitting material. In type II devices either carb and/or Alq3 is the light emitting material. Several green light-emitting devices exhibit exceptional maximum brightness and the physical performance is superior to those of typical green-light-emitting devices of the structure ITO/diamine/Alq3/Mg:Ag. Relation between the LUMO of the carb and the performance of the light-emitting diode is discussed.

  14. 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.

  15. 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.

  16. 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.

  17. Isotopic Fractionation in Primitive Materials: Quantifying the Contribution of Interstellar Chemistry

    NASA Astrophysics Data System (ADS)

    Charnley, Steven

    We propose to continue theoretical studies aimed at elucidating the contribution of astrochemical processes to the isotopic fractionation measured in carbonaceous meteoritic material, interplanetary dust particles (IDPs) and comets, including the dust samples returned by the Stardust mission. Prior work has focused on the fractionation chemistry of 15N, 13C, and D in cold, isolated dense cores. We now propose to extend these studies to cores residing in stellar clusters, more energetic conditions that better reflect the birth environment of the Solar System. We will undertake four studies: In cold molecular cores, the computation of 13C, 15N and D fractionation in small and large hydrocarbons that could be precursors to meteoritic organic material A definitive study of isotopic fractionation in candidate presolar cores illuminated by strong ultraviolet radiation from nearby stars in a stellar cluster. A new model of isotopic chemistry in dense cores exposed to greatly enhanced fluxes of cosmic-ray particles due to their proximity to a supernovae. These theoretical models will make predictions that will testable by astronomical observation and so an interdisciplinary approach can be advantageous. We therefore also propose to perform a program of radioastronomical observations to definitively measure the isotopic fractionation of 15N in interstellar molecules. In each environment, we will evaluate the maximum degree of stable-isotope enhancement or depletion present in specific molecular functional groups, which could have been precursor reservoirs of cometary and asteroidal material. For the theoretical projects we will employ comprehensive chemical fractionation networks and astrochemistry codes previously developed with Origins support. These studies will allow us, for the first time, to compare and contrast the effect of irradiation environment and so uniquely delineate astronomical contributions to isotopic fractionation in primitive Solar System materials. In

  18. Relating ionic liquids and polyethylene glycols to green chemistry, organometallic catalysis, and materials science

    NASA Astrophysics Data System (ADS)

    Klingshirn, Marc Allen

    The field of green chemistry has grown tremendously over the past years due to stricter environmental laws regulating the amount of toxic substances that are legally allowed into the environment. The objective of this work was to incorporate ILs and PEGs into gel type matrices and utilize them as solvent alternatives in hopes of helping advance the field of green chemistry and lowering environmental burden. Here, three new gel-type materials were studied. A PEG gel-silica sol composite and an IL-PEG gel were developed. Both materials were based on a cross-linked PEG hydrogel and its response to various inorganic salts. The new materials developed exhibited the same shrink-swell characteristics as the control PEG hydrogel, while the IL-PEG gel showed similar uptakes of linear alcohols from salt solutions. Additionally, when calcined, the PEG gel-silica sol composite was found to have unique morphologies that were dependent on PEG hydrogel concentration. The third material that was developed was a silica sol gel that was synthesized utilizing 1-butyl-3-methylimidazolium chloride as a (co)solvent. All previous work reported used ILs that had structures similar to surfactants that are traditionally used in creating high surface area materials. The work here presents a fundamental study of how short chained ILs can be used to produce high surface area materials and addresses questions such as how the IL orients itself within the matrix during the sol gel process. Another facet of the work involves the incorporation of ILs and PEGS into organometallic catalytic systems, specifically the hydroesterification of styrene and the copolymerization of styrene and carbon monoxide. The ILs' non-coordinating nature allows them to stabilize catalytically active charged species in addition to allowing for ease of catalyst recycling. The application of the presented work to the field of green chemistry includes the implementation of benign, non-volatile reaction media, specifically

  19. 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.

  20. 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.

  1. Rates of Metamorphic and Tectonic Processes Derived From Garnet Chemistry and Phase Diagrams

    NASA Astrophysics Data System (ADS)

    Stowell, H. H.

    2005-12-01

    Sm and Nd isotope data for the interior parts of a garnet crystal (core) and the whole rock can be used to calculate the timing of initial growth. Isotope data for the external parts of a garnet crystal (rim) and the rock matrix can be used to calculate the timing of final growth. Similarly, major element chemistry can be used to calculate pressures (P) and temperatures (T) of metamorphism for initial and final garnet growth. Combination of these data allows estimation of garnet growth, heating, and loading rates. Sm-Nd isochrons were constructed for garnet core and whole rock, and for garnet rim and rock matrix (whole rock minus garnet). For core and rim ages that are indistinguishable, uncertainties for a single isochron constrain the duration of garnet growth. P and T were estimated from the intersection of garnet chemical isopleths on P-T phase diagrams for specific rocks (pseudosections), and garnet rim thermobarometry and/or pseudosection peak mineral stability fields. Results from Cretaceous contact and regional metamorphic environments provide preliminary data for comparison. Schist from Garnet Ledge, AK. 20 mm garnet crystals in pelite less than 1 km from a diorite pluton grew during contact metamorphism over ca. 0.5 m.y. during a 70°C increase in T and 0.6 kbar increase in P. Growth, heating, and loading rates are 20 mm/m.y., 140°C/m.y., 1.2 kbar/m.y., respectively. Chiwaukum Schist from near the Mount Stuart batholith, WA. 14 mm garnet crystals in pelite less than 2 km from the Mt. Stuart batholith grew during regional metamorphism over <1.4 m.y. during a 75°C increase in T and 1.2 kbar increase in P. Growth, heating, and loading rates are 5 mm/m.y., 54°C/m.y., 0.9 kbar/m.y., respectively. 5 mm garnet crystals in pelite adjacent to orthogneiss grew during contact metamorphism over <1.8 m.y. while T and P increased to peak conditions of 630°C and 6.8 kbar. Pembroke granulite from Fiordland, New Zealand. 16 mm peritectic garnet crystals in lower

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Low frequency internal vibrations of norbornane and its derivatives studied by IINS and quantum chemistry calculations

    SciTech Connect

    Holderna-Natkaniec, K.; Natkaniec, I.; Khavryutchenko, V. D.

    1999-06-15

    The observed and calculated INS vibrational densities of states for globular molecules of norbornane, norborneole and borneole are compared in the frequency range up to 600 cm{sup -1}. Inelastic incoherent neutron scattering (IINS) spectra were measured at ca. 20 K on the high resolution NERA spectrometer at the IBR-2 pulsed reactor. The IINS intensities were calculated by semi-empirical quantum chemistry method and the assignments of the low-frequency internal modes were proposed.

  7. 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

  8. Comprehensive Reference Ranges for Hematology and Clinical Chemistry Laboratory Parameters Derived from Normal Nigerian Adults

    PubMed Central

    Miri-Dashe, Timzing; Osawe, Sophia; Tokdung, Monday; Daniel, Nenbammun; Choji, Rahila Pam; Mamman, Ille; Deme, Kurt; Damulak, Dapus; Abimiku, Alash’le

    2014-01-01

    Background Interpretation of laboratory test results with appropriate diagnostic accuracy requires reference or cutoff values. This study is a comprehensive determination of reference values for hematology and clinical chemistry in apparently healthy voluntary non-remunerated blood donors and pregnant women. Methods and findings Consented clients were clinically screened and counseled before testing for HIV, Hepatitis B, Hepatitis C and Syphilis. Standard national blood donors’ questionnaire was administered to consented blood donors. Blood from qualified volunteers was used for measurement of complete hematology and chemistry parameters. Blood samples were analyzed from a total of 383 participants, 124 (32.4%) males, 125 (32.6%) non-pregnant females and 134 pregnant females (35.2%) with a mean age of 31 years. Our results showed that the red blood cells count (RBC), Hemoglobin (HB) and Hematocrit (HCT) had significant gender difference (p = 0.000) but not for total white blood count (p>0.05) which was only significantly higher in pregnant verses non-pregnant women (p = 0.000). Hemoglobin and Hematocrit values were lower in pregnancy (P = 0.000). Platelets were significantly higher in females than men (p = 0.001) but lower in pregnant women (p = 0.001) with marked difference in gestational period. For clinical chemistry parameters, there was no significant difference for sodium, potassium and chloride (p>0.05) but gender difference exists for Bicarbonate (HCO3), Urea nitrogen, Creatinine as well as the lipids (p<0.05). Total bilirubin was significantly higher in males than females (p = 0.000). Significant differences exist for all chemistry parameters between pregnant and non-pregnant women in this study (p<0.05), except Amylase and total cholesterol (p>0.05). Conclusions Hematological and Clinical Chemistry reference ranges established in this study showed significant gender differences. Pregnant women also differed from non

  9. 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…

  10. 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 %22flexible%22 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 %242

  11. Incompatibility between plant-derived defensive chemistry and immune response of two sphingid herbivores.

    PubMed

    Lampert, Evan C; Bowers, M Deane

    2015-01-01

    Herbivorous insects use several different defenses against predators and parasites, and tradeoffs among defensive traits may occur if these traits are energetically demanding. Chemical defense and immune response potentially can interact, and both can be influenced by host plant chemistry. Two closely related caterpillars in the lepidopteran family Sphingidae are both attacked by the same specialist endoparasitoid species but have mostly non-overlapping host plant ranges that differ in secondary chemistry. Ceratomia catalpae is a specialist on Catalpa and also will feed on Chilopsis, which both produce iridoid glycosides. Ceratomia undulosa consumes members of the Oleaceae, which produce seco-iridoid glycosides. Immune response of the two species on a typical host plant species (Catalpa bignonioides for C. catalpa; Fraxinus americana for C. undulosa) was compared using a melanization assay, and did not differ. In a second experiment, the iridoid glycoside catalpol was added to the diets of both insects, and growth rate, mass, chemical defense, and immune response were evaluated. Increased dietary catalpol weakened the immune response of C. undulosa and altered the development rate of C. catalpae by prolonging the third instar and accelerating the fourth instar. Catalpol sequestration was negatively correlated with immune response of C. catalpae, while C. undulosa was unable to sequester catalpol. These results show that immune response can be negatively influenced by increasing concentrations of sequestered defensive compounds. PMID:25516226

  12. 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. PMID:26977181

  13. Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene.

    PubMed

    Cui, Xili; Chen, Kaijie; Xing, Huabin; Yang, Qiwei; Krishna, Rajamani; Bao, Zongbi; Wu, Hui; Zhou, Wei; Dong, Xinglong; Han, Yu; Li, Bin; Ren, Qilong; Zaworotko, Michael J; Chen, Banglin

    2016-07-01

    The trade-off between physical adsorption capacity and selectivity of porous materials is a major barrier for efficient gas separation and purification through physisorption. We report control over pore chemistry and size in metal coordination networks with hexafluorosilicate and organic linkers for the purpose of preferential binding and orderly assembly of acetylene molecules through cooperative host-guest and/or guest-guest interactions. The specific binding sites for acetylene are validated by modeling and neutron powder diffraction studies. The energies associated with these binding interactions afford high adsorption capacity (2.1 millimoles per gram at 0.025 bar) and selectivity (39.7 to 44.8) for acetylene at ambient conditions. Their efficiency for the separation of acetylene/ethylene mixtures is demonstrated by experimental breakthrough curves (0.73 millimoles per gram from a 1/99 mixture). PMID:27198674

  14. 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.

  15. 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. PMID:18589499

  16. 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

  17. 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.

  18. Review of the materials-chemistry models in the VICTORIA code

    NASA Astrophysics Data System (ADS)

    Olander, D. R.; Mubayi, Vinod

    Recently a Peer Review Committee established by the US Nuclear Regulatory Commission issued its report on VICTORIA, a detailed mechanistic computer code that addresses the release of fission products from degraded reactor fuel and the ex-core behavior of the released material. The present paper summarizes the findings of the report relevant to the materials-chemistry aspects of the code that apply chiefly to the high-temperature, steam-hydrogen environment of the degrading fuel and cladding. In addition to reviewing the theoretical foundation of the mechanisms used in the code, the assessment utilizes the `test problem' technique. In this method, the code (or its methods) are applied to very simple fuel and cladding systems with variations of input conditions, code flags, and material properties. The output is judged against expected behavior for each change. The topics treated include the thermochemical database, the code's method of treating interphase equilibria, the model of fission product release, and the treatment of cladding oxidation and hydrogen production.

  19. 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…

  20. Mechanisms of Auger-induced chemistry derived from wave packet dynamics.

    PubMed

    Su, Julius T; Goddard, William A

    2009-01-27

    To understand how core ionization and subsequent Auger decay lead to bond breaking in large systems, we simulate the wave packet dynamics of electrons in the hydrogenated diamond nanoparticle C(197)H(112). We find that surface core ionizations cause emission of carbon fragments and protons through a direct Auger mechanism, whereas deeper core ionizations cause hydrides to be emitted from the surface via remote heating, consistent with results from photon-stimulated desorption experiments [Hoffman A, Laikhtman A, (2006) J Phys Condens Mater 18:S1517-S1546]. This demonstrates that it is feasible to study the chemistry of highly excited large-scale systems using simulation and analysis tools comparable in simplicity to those used for classical molecular dynamics. PMID:19164568

  1. Mechanisms of Auger-induced chemistry derived from wave packet dynamics

    PubMed Central

    Su, Julius T.; Goddard, William A.

    2009-01-01

    To understand how core ionization and subsequent Auger decay lead to bond breaking in large systems, we simulate the wave packet dynamics of electrons in the hydrogenated diamond nanoparticle C197H112. We find that surface core ionizations cause emission of carbon fragments and protons through a direct Auger mechanism, whereas deeper core ionizations cause hydrides to be emitted from the surface via remote heating, consistent with results from photon-stimulated desorption experiments [Hoffman A, Laikhtman A, (2006) J Phys Condens Mater 18:S1517–S1546]. This demonstrates that it is feasible to study the chemistry of highly excited large-scale systems using simulation and analysis tools comparable in simplicity to those used for classical molecular dynamics. PMID:19164568

  2. Possible Origin for Porphin Derivatives in Prebiotic Chemistry a Computational Study

    NASA Astrophysics Data System (ADS)

    Aylward, Nigel; Bofinger, Neville

    2005-08-01

    A set of chemical reactions is postulated to account for the formation of the macrocyclic porphin structure, basic to the pyrrole derivatives chlorophyll, protoporphyrin, heme and bilirubin, important in photosynthesis, respiration and digestion. A set of equations is given for the prebiotic synthesis of porphin derivatives from the simple molecules; cyanoacetylene, diacetylene, carbon monoxide and ammonia that have been detected in space. A number of isomers of hydrogenated porphin arise which may lose hydrogen to give ultimately porphin and its dehydrogenated derivative. The reactions, while not unique, provide a pathway which has been shown to be feasible from the overall enthalpy changes in the ZKE approximation at the HF and MP2/6-31G* level

  3. 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.

  4. 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

  5. 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.

  6. Resonant elastic X-ray scattering in chemistry and materials science

    NASA Astrophysics Data System (ADS)

    Helliwell, J. R.; Helliwell, M.; Kaucic, V.; Logar, N. Z.

    2012-06-01

    The applications of anomalous scattering for locating metal atoms and discriminating between different elements has increased when optimised with synchrotron X-radiation.The on-resonance effect enhances the targeted elemental signal and allows small occupancies to be determined, including in situations of a mixed metal population at a single atomic site. Thus the applications of resonant elastic X-ray scattering in biological, inorganic and materials chemistry is being widely applied to single crystals, which is our emphasis, but also powders, fibres, solutions, amorphous and thin film states of matter. Recent developments have included the use of high photon energies (upto 100 keV) as well as softer X-rays (2 keV). The various instrument and technical capabilities have improved in the last 15 years. This ease of measurement of the resonant scattering signals along with absorption edge shifts indicates an expansion to the measurement of multiple data sets, to allow monitoring of redox changes. Whilst crystal structure determination in biological crystallography has been revolutionised by the MAD method, it is not a requirement for chemical or materials crystallography, as other phasing techniques are routine. Synchrotron source upgrades will allow nano-sized X-ray beams to be more widely available. The new X-ray lasers suggest new capabilities too.

  7. DOTA derivatives for site-specific biomolecule-modification via click chemistry: synthesis and comparison of reaction characteristics.

    PubMed

    Wängler, Carmen; Schäfer, Martin; Schirrmacher, Ralf; Bartenstein, Peter; Wängler, Björn

    2011-06-15

    Due to the high stability of its complexes with many M(2+) and M(3+)-ions, DOTA (1,4,7,10-tetraazacyclododecane-N,N',N″,N‴-tetraacetic acid) is the most commonly used chelator for the derivatization and radiolabeling of bioactive molecules. Most of the currently used DOTA derivatives comprise amine-reactive functionalities, limiting their application to the derivatization of fully protected molecules or otherwise resulting in randomly distributed conjugation sites of undefined number. Click chemistry reactions are a valuable alternative to this unspecific conjugation as they proceed efficiently and chemoselectively under mild conditions allowing a site-specific derivatization of unprotected biomolecules. In this work, we describe straightforward syntheses of DOTA derivatives containing thiol, maleimide, aminooxy, aldehyde, alkyne, and azide functionalities, amenable to the currently most often used click chemistry reactions. Furthermore, the efficiency of the respective click reactions introducing DOTA into bioactive molecules was investigated. For each of the synthesized DOTA synthons, the site-specific and efficient conjugation to Tyr(3)-octreotate could be shown. Among these, the addition and oxime formation reactions proceeded fast and without side reactions, giving the products in high yields of 64-83% after purification. The copper-catalyzed triazole formation reactions produced some side-products, giving the desired products in lower, but still reasonable overall yields of 19-25%. All synthesized peptide-DOTA-conjugates were labeled with (68)Ga in high radiochemical yields of 96-99% and high specific activities providing compounds of high purity, demonstrating the applicability of all synthons for biomolecule modification and subsequent radiolabeling. PMID:21620712

  8. 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

  9. 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.

  10. 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…

  11. 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…

  12. Chemistry and biology of fascaplysin, a potent marine-derived CDK-4 inhibitor.

    PubMed

    Bharate, S B; Manda, S; Mupparapu, N; Battini, N; Vishwakarma, R A

    2012-06-01

    Marine natural products offer an abundant source of pharmacologically active agents with great diversity and complexity, and the potential to produce valuable therapeutic entities. Indole alkaloids is one of the important class of marine-derived secondary metabolites, with wide occurrence amongst variety of marine sources such as sponges, tunicates, algae, worms and microorganisms and have been extensively studied for their biological activities. Among this chemical family, a sponge-derived bis-indole alkaloid fascaplysin (1) exhibited broad range of bioactivities including antibacterial, antifungal, antiviral, anti-HIV-1-RTase, p56 tyrosine kinase inhibition, antimalarial, anti-angiogenic, antiproliferative activity against numerous cancer cell lines, specific inhibition of cyclin-dependent kinase-4 (IC(50) 350 nM) and action as a DNA intercalator. In the present review, the chemical diversity of natural as well as synthetic analogues of fascaplysin has been reviewed with a detailed account on synthetic reports and pharmacological studies. Our analysis of the structure-activity relationships of this family of compounds highlights the existence of various potential leads for the development of novel anticancer agents. PMID:22512549

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

    PubMed

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

    2012-10-16

    , have all contributed significantly to the further development of quantitative 3D studies of nanostructured materials, including nanoparticle-heterogeneous catalysts, fuel-cell components, and drug-delivery systems, as well as photovoltaic and plasmonic devices, and are likely to enhance our knowledge of many other facets of materials chemistry, such as organic-inorganic composites, solar-energy devices, bionanotechnology, biomineralization, and energy-storage systems composed of high-permittivity metal oxides. PMID:22897395

  14. 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.

  15. 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.

  16. 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. PMID:26449530

  17. 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

  18. 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

  19. 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...

  20. 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.

  1. 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

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

    DOE PAGESBeta

    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. Combining coordination and supramolecular chemistry for the formation of uranyl-organic hybrid materials

    SciTech Connect

    Deifel, N. P.; Cahill, Christopher L.

    2011-01-01

    Three hybrid compounds have been synthesized through hydrothermal reactions of UO{sub 2}(NO{sub 3}){sub 2}·6H{sub 2}O with 4-halobenzoic acid (X = Cl, Br, I). The formation of these compounds utilizes a composite synthesis methodology that explicitly employs aspects of both coordination chemistry and supramolecular chemistry (namely halogen---halogen interactions).

  4. 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

  5. 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

  6. 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.

  7. Near-IR absorbing phthalocyanine derivatives as materials for organic solar cells

    NASA Astrophysics Data System (ADS)

    Mayukh, Mayank

    2011-12-01

    Phthalocyanines (Pcs) are highly conjugated synthetic porphyrin analogs that exhibit high extinction coefficients and hole mobilities, and strong pi-pi interactions. We have developed a general method for the synthesis of peripherally functionalized Pc chromophores using 'click' chemistry, wherein an alkynyl substituted Pc is reacted with an azide, providing an elegant route to the creation of a library of numerous Pcs. We have also developed a simple route to the synthesis of tri- and tetravalent metal Pc derivatives such as titanyl phthalocyanine (TiO Pc) involving solvent-free conditions. Solvent-free conditions are environmentally friendly and industrially economical, and in the present context effectively eliminate the formation of non-metallated phthalocyanine (H 2Pc), a side product often seen in other routes that interferes with their purification. We have also prepared and characterized thin-films of some of these Pcs, TiOPcs in particular, wherein we have developed an easy route to various TiO Pc polymorphs exhibiting different near-IR sensitivities via spin-coating whose optical properties are reminiscent of Phase-I and Phase-II polymorphs of the unmodified TiOPc. Phase-II is particularly interesting as it is photoelectrically active in the near-IR region with a Q-band maximum at ca. 890 nm. We have also fabricated and characterized organic solar cells in both planar heterojunction (PHJ) and bulk heterojunction (BHJ) architectures based on one of these materials, which exhibited good near-IR photoactivity with the absorption spectrum extending up to 1 micrometer in the near-IR. The incident and absorbed photon to current efficiency (IPCE and APCE) spectra showed contributions from the TiOPc in the near-IR region with local maxima around 680 nm and 920 nm, corresponding to the Frenkel and the charge-transfer (CT) bands of the TiOPc, respectively.

  8. Coordination Chemistry and Structural Dynamics of a Long and Flexible Piperazine-Derived Ligand.

    PubMed

    Hawes, Chris S; Hamilton, Sophie E; Hicks, Jamie; Knowles, Gregory P; Chaffee, Alan L; Turner, David R; Batten, Stuart R

    2016-07-01

    A long and highly flexible internally functionalized dipyridyl ligand α,α'-p-xylylenebis(1-(4-pyridylmethylene)-piper-4-azine), L, has been employed in the synthesis of a series of coordination polymer materials with Co(II), Cd(II), and Ag(I) ions. In poly-[Cd(L)(TPA)] 1 and poly-[Co(L)(IPA)], 2, (TPA = terephthalate, IPA = isophthalate) the ligand adopts a similar linear conformation to that seen in the structure of the unbound molecule and provides a long (2.6 nm) metal-metal bridging distance. Due to the mismatch of edge lengths with that provided by the carboxylate coligands, geometric distortions from the regular dia and (4,4) network geometries for 1 and 2, respectively, are observed. In poly-[Ag2(CF3SO3)2(L)], 3, the ligand coordinates through both pyridine groups and two of the four piperazine nitrogen donors, forming a high-connectivity 2-dimensional network. The compound poly-[Ag2(L)](BF4)2·2MeCN, 4, a porous 3-dimensional cds network, undergoes a fascinating and rapid single-crystal-to-single-crystal rearrangement on exchange of the acetonitrile guests for water in ambient air, forming a nonporous hydrated network poly-[Ag2(L)](BF4)2·2H2O, 5, in which the well-ordered guest water molecules mediate the rearrangement of the tetrafluoroborate anions and the framework itself through hydrogen bonding. The dynamics of the system are examined in greater detail through the preparation of a kinetic product, the dioxane-solvated species poly-[Ag2(L)](BF4)2·2C4H8O2, 6, which undergoes a slow conversion to 5 over the course of approximately 16 h, a transition which can be monitored in real time. The reverse transformation can also be observed on immersing the hydrate 5 in dioxane. The structural features and physical properties of each of the materials can be rationalized based on the flexible and multifunctional nature of the ligand molecule, as well as the coordination behavior of the chosen metal ions. PMID:27328206

  9. 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)

  10. 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

  11. 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

  12. Reduction biodegradable brushed PDMAEMA derivatives synthesized by atom transfer radical polymerization and click chemistry for gene delivery.

    PubMed

    Liu, Jia; Xu, Yanglin; Yang, Qizhi; Li, Cao; Hennink, Wim E; Zhuo, Renxi; Jiang, Xulin

    2013-08-01

    Novel reducible and degradable brushed poly(2-(dimethylamino) ethyl methacrylate) (PDMAEMA) derivatives were synthesized and evaluated as non-viral gene delivery vectors. First, alkyne-functionalized poly(aspartic acid) with a disulfide linker between the propargyl group and backbone poly([(propargyl carbamate)-cystamine]-α,β-aspartamide) (P(Asp-SS-AL)) was synthesized. Second, linear low molecular weight (LMW) monoazido-functionalized PDMAEMAs synthesized via atom transfer radical polymerization were conjugated to the polypeptide side-chains of P(Asp-SS-AL) via click chemistry to yield high molecular weight (HMW) polyaspartamide-based disulfide-containing brushed PDMAEMAs (PAPDEs). The PAPDEs were able to condense plasmid DNA to form 100 to 200nm polyplexes with positive ζ-potentials. Moreover, in the presence of dithiothreitol the PAPDEs degraded into LMW PDAMEMA, resulting in disintegration of the PAPDE/DNA polyplexes and subsequent release of plasmid DNA. In vitro experiments revealed that the PAPDEs were less cytotoxic and more effective in gene transfection than control 25kDa poly(ethyleneimine) and HMW linear PDMAEMA. In conclusion, reducible and degradable polycations composed of LMW PDMAEMAs coupled to a polypeptide backbone via reduction-sensitive disulfide bonds are effective gene vectors with an excellent cytocompatibility. PMID:23660547

  13. 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

  14. GAS PHASE EXPOSURE HISTORY DERIVED FROM MATERIAL PHASE CONCENTRATION PROFILES USING SOLID PHASE MICRO-EXTRACTION

    EPA Science Inventory

    EPA Identifier: F8P31059
    Title: Gas Phase Exposure History Derived from Material Phase Concentration Profiles Using Solid Phase Micro-Extraction
    Fellow (Principal Investigator): Jonathan Lewis McKinney
    Institution: University of Missouri - ...

  15. Biodesulfurization of water-soluble coal-derived material by Rhodococcus rhodochrous IGTS8

    SciTech Connect

    Kilbane, J.J. II; Jackowski, K.

    1991-01-01

    Rhodococcus rhodochrous IGTS8 was previously isolated because of its ability to use coal as its sole source of sulfur for growth. Subsequent growth studies have revealed that IGTS8 is capable of using a variety of organosulfur compounds as sources of sulfur but not carbon. In this paper, the ability of IGTS8 to selectively remove organic sulfur from water-soluble coal-derived material is investigated. The microbial removal of organic sulfur from coal requires microorganisms capable of cleaving carbonsulfur bonds and the accessibility of these bonds to microorganisms. The use of water-soluble coal-derived material effectively overcomes the problem of accessibility and allows the ability of microorganisms to cleave carbonsulfur bonds present in coal-derived material to be assessed directly. Three coals, two coal solubilization procedures, and two methods of biodesulfurization were examined. The results of these experiments reveal that the microbial removal of significant amounts of organic sulfur from watersoluble coal-derived material with treatment times as brief as 24 hours is possible. Moreover, the carbon content and calorific value of biotreated products are largely unaffected. Biotreatment does, however, result in increases in the hydrogen and nitrogen content and a decreased oxygen content of the coal-derived material. The aqueous supernatant obtained from biodesulfurization experiments does not contain sulfate, sulfite, or other forms of soluble sulfur at increased concentrations in comparison with control samples. Sulfur removed from water-soluble coal-derived material appears to be incorporated into biomass.

  16. 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.

  17. Impact of reaction products from building materials and furnishings on indoor air quality—A review of recent advances in indoor chemistry

    NASA Astrophysics Data System (ADS)

    Uhde, E.; Salthammer, T.

    The variety of chemical substances present in modern building products, household products and furnishings provides potential for chemical reactions in the material (case 1), on the material surface (case 2) and in the gas phase (case 3). Such "indoor chemistry" is known as one of the main reasons for primary and secondary emissions. The conditions of production often cause unwanted side reactions and a number of new compounds can be found in finished products. Elevated temperatures are responsible for the degradation of cellulose, decomposition of non-heat-resistant additives and other thermally induced reactions like Diels-Alder synthesis. Heterogeneous chemistry takes place on the surface of materials. Well-known examples are the formation of aliphatic aldehydes from the oxidation of unsaturated fatty acids or the cleavage of photoinitiators under the influence of light. In case of composite flooring structures hydrolysis is one of the major pathways for the appearance of alcohols from esters. If different kinds of material are fixed together, emissions of new VOCs formed by inter-species reactions are possible. Other indoor air pollutants are formed by rearrangement of cleavage products or by metabolism. Compounds with -C dbnd C- bonds like terpenes, styrene, 4-phenylcyclohexene, etc. undergo gas phase reactions with O 3, NO x, OH and other reactive gases. It has been shown that such products derived from indoor-related reactions may have a negative impact on indoor air quality due to their low odor threshold or health-related properties. Therefore, the understanding of primary and secondary emissions and the chemical processes behind is essential for the evaluation of indoor air quality. This publication gives an overview on the current state of research and new findings regarding primary and secondary emissions from building products and furnishings.

  18. 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

  19. 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

  20. Exploring the synthesis and characterization of nanoenergetic materials from sol-gel chemistry

    NASA Astrophysics Data System (ADS)

    Walker, Jeremy D.

    Nanoenergetic composite materials have been synthesized by a sol-gel chemical process where the addition of a weak base molecule induces the gelation of a hydrated metal salt solution. A proposed 'proton scavenging' mechanism, where a weak base molecule extracts a proton from the coordination sphere of the hydrated iron (III) complex in the gelation process to form iron (III) oxide/hydroxide, FeIIIxOyHz, has been confirmed for the weak base propylene oxide (PO), a 1,2 epoxide, as well as for the weak bases tetrahydrofuran (THF), a 1,4 epoxide, and pyridine, a heterocyclic nitrogen-containing compound. Gelation mechanisms for the formation of FeIIIxOyHz from THF and pyridine have been presented and confirmed through pH, XPS, and IR studies. THF follows a similar mechanism as PO, where the epoxide extracts a proton from the coordination sphere of the hydrated iron complex forming a protonated epoxide, which then undergoes irreversible ring-opening after reaction with a nucleophile in solution. Pyridine also extracts a proton from the hydrated metal complex, however, the stable six-membered molecule has low associated ring strain and does not endure ring-opening. Energetic properties for the Fe2O3/Al and RuO 2/Al sol-gel synthesized systems are also presented. Sol-gel chemistry synthesizes x-ray amorphous oxide matrices which contain substantial quantities of residual water and organic species. The iron (III) matrix, formed from the addition of a weak base epoxide molecule to a hydrated iron (III) nitrate solution, consists of stoichiometric Fe2O3, FeO(OH), and Fe(OH)3 and can only definitely be described as of Fe IIIxOyHz. XPS characterization of the metal oxide matrix synthesized from the addition of the weak base propylene oxide to a hydrated ruthenium (III) chloride solution corresponds to that of hydrous ruthenium (IV) oxide. Fe2O3/Al energetic systems were synthesized from the epoxides PO, trimethylene oxide (TMO) and 3,3 dimethyl oxetane (DMO). Energetic

  1. 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. PMID:26502170

  2. A comparison of the inflammatory potential of particulates derived from two composite materials.

    PubMed

    Moore, R; Beredjiklian, P; Rhoad, R; Theiss, S; Cuckler, J; Ducheyne, P; Baker, D G

    1997-02-01

    In order to develop total joint prostheses with moduli of elasticity close to bone while retaining excellent strength characteristics, composite materials are being developed. Composites consist of graphite fibers embedded in a polymer matrix. We studied the inflammatory potential of particulates derived from two composites with different matrix components, polysulfone (PFS) and polyetherketoneketone (PEKK), in the rat subcutaneous air pouch model. Neat components of the composites were studied separately in the air pouch. Particulates also were studied in culture using the macrophage cell line RAW 264.7, adherent synovial cells (ASC), and human polymorphonuclear neutrophils (PMNs). Particles derived from the PEKK-containing composite material consistently were less inflammatory than the PFS composite-derived particles, as measured by PMN infiltration, neutral metalloprotease activity, tumor necrosis factor (TNF) activity, and prostaglandin E2 (PGE2) accumulation. Results from the neat materials confirmed the findings in the composite-derived material. PEKK composite-derived material produced less TNF from macrophage cultures, but there were no significant differences noted in PGE2 production from ASC or in superoxide anion generation from PMNs. Particles from both PSF and PEKK produced minimal inflammatory responses in the rat subcutaneous air pouch. PEKK elicited a response virtually the same as the saline control and significantly less than that produced by particles of PSF. PMID:9029292

  3. Optimizing the formula of rare earth-bearing materials: A computational chemistry investigation

    NASA Astrophysics Data System (ADS)

    Bertolus, Marjorie; Defranceschi, Mireille

    We present a computational investigation into the nature of bonds formed by rare earth elements (REE) in materials. This study focuses on the incorporation of neodymium in minerals called apatites, which are derived from fluorapatite: Ca10(PO4)6F2. These minerals, which allow many substitutions on all three Ca, P, and F sites, are considered as potential host phases for radioactive elements separated from nuclear waste. Nd and trivalent actinides have very similar physical and chemical properties, and Nd is not radioactive and much more easily handled. It is therefore very often used as a surrogate for actinides with oxidation degree three in experimental studies. Several formulas can be considered to substitute Nd3+ to Ca2+ and maintain charge balance of the apatite. Existing experimental and theoretical studies, however, mostly concern the Ca9Nd(PO4)5SiO4F2 formula, where the Nd incorporation is compensated by the replacement of one PO43- by a SiO44- group. Moreover, only the cation position has been studied, whereas the silicate position and its influence on stability are unknown. We present a more general investigation of possible charge compensations on the one hand, and of the various resulting configurations on the other. All possible configurations of the two formulas Ca9Nd(PO4)5 SiO4F2 and Ca8NdNa(PO4)6F2 have been considered. Calculations have been performed within the framework of density functional theory (DFT). A computation scheme that permits good accuracy in these systems within reasonable computation times is determined. The results obtained for cohesion energies, geometries, and electronic densities are discussed. As for the formulation, it is shown that the Ca8NdNa(PO4)6F2 formula is less stable than the fluorapatite, while Ca9Nd(PO4)5 SiO4F2 is more stable. For the structures, it is found that Nd substitutes preferably in the second cationic site. Moreover, the most stable structures exhibit the shortest Na-Nd or Nd-Si distances. Local charge

  4. Molecular environmental science using synchrotron radiation:Chemistry and physics of waste form materials

    SciTech Connect

    Lindle, Dennis W.; Shuh, David K.

    2005-02-28

    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 [1]. Specially formulated glass compositions, many of which have been derived from glass developed for commercial purposes, and ceramics such as pyrochlores and apatites, will be the main recipients for these wastes. The performance characteristics of waste-form glasses and ceramics are largely determined by the loading capacity for the waste constituents (radioactive and non-radioactive) and the resultant chemical and radiation resistance of the waste-form package to leaching (durability). There are unique opportunities for the use of near-edge soft-x-ray absorption fine structure (NEXAFS) spectroscopy to investigate speciation of low-Z elements forming the backbone of waste-form glasses and ceramics. Although nuclear magnetic resonance (NMR) is the primary technique employed to obtain speciation information from low-Z elements in waste forms, NMR is incompatible with the metallic impurities contained in real waste and is thus limited to studies of idealized model systems. In contrast, NEXAFS can yield element-specific speciation information from glass constituents without sensitivity to paramagnetic species. Development and use of NEXAFS for eventual studies of real waste glasses has significant implications, especially for the low-Z elements comprising glass matrices [5-7]. The NEXAFS measurements were performed at Beamline 6.3.1, an entrance-slitless bend-magnet beamline operating from 200 eV to 2000 eV with a Hettrick-Underwood varied-line-space (VLS) grating monochromator, of the Advanced Light Source (ALS) at LBNL. Complete characterization and optimization of this beamline was conducted to enable high-performance measurements.

  5. Low-temperature structural phase transitions in crystalline bromo and iodo 9-hydroxyphenalenone derivatives: Quantum chemistry employment

    NASA Astrophysics Data System (ADS)

    Dolin, S. P.; Khrulev, A. A.; Polyakov, E. V.; Mikhailova, T. Yu.; Levin, A. A.

    The model approaches and quantum chemical calculations are employed to explain the peculiarities of the ferroelectric behavior of new ?zero-dimensional? H-bonded materials, i.e., 5-bromo and 5-iodo derivatives of 9-hydroxyphenalenone (9HPO) and its deuteroxy analogue (9DPO). The tunneling parameters ? (H/D) and the Ising model coupling parameters Jij are evaluated and discussed. Analysis of these parameters for the hydroxy and deuteroxy species demonstrates the quantum paraelectric behavior of both Br and I 9HPO derivatives due to the large values of the ?(H)/J0 relation, where J0 is the molecular field parameter describing the coupling of any given H-bond proton with all rest ones. In contrast, small values ?(D)/J0 for their 9DPO analogues favor the low-temperature structural phase transition into an ordered phase, which has a rather antiferroelectric than ferroelectric character. The estimates obtained and the resulting conclusions are in line with the overall observed trends in behavior of the substances under examination that emerge from the available experimental data.

  6. Osteogenic Embryoid Body-Derived Material Induces Bone Formation In Vivo

    PubMed Central

    Sutha, Ken; Schwartz, Zvi; Wang, Yun; Hyzy, Sharon; Boyan, Barbara D.; McDevitt, Todd C.

    2015-01-01

    The progressive loss of endogenous regenerative capacity that accompanies mammalian aging has been attributed at least in part to alterations in the extracellular matrix (ECM) composition of adult tissues. Thus, creation of a more regenerative microenvironment, analogous to embryonic morphogenesis, may be achieved via pluripotent embryonic stem cell (ESC) differentiation and derivation of devitalized materials as an alternative to decellularized adult tissues, such as demineralized bone matrix (DBM). Transplantation of devitalized ESC materials represents a novel approach to promote functional tissue regeneration and reduce the inherent batch-to-batch variability of allograft-derived materials. In this study, the osteoinductivity of embryoid body-derived material (EBM) was compared to DBM in a standard in vivo ectopic osteoinduction assay in nude mice. EBM derived from EBs differentiated for 10 days with osteogenic media (+β-glycerophosphate) exhibited similar osteoinductivity to active DBM (osteoinduction score = 2.50 ± 0.27 vs. 2.75 ± 0.16) based on histological scoring, and exceeded inactive DBM (1.13 ± 0.13, p < 0.005). Moreover, EBM stimulated formation of new bone, ossicles, and marrow spaces, similar to active DBM. The potent osteoinductivity of EBM demonstrates that morphogenic factors expressed by ESCs undergoing osteogenic differentiation yield a novel devitalized material capable of stimulating de novo bone formation in vivo. PMID:25961152

  7. 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

  8. 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

  9. 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. PMID:26781102

  10. 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. PMID:27273656

  11. Identification of fractional-derivative-model parameters of viscoelastic materials from measured FRFs

    NASA Astrophysics Data System (ADS)

    Kim, Sun-Yong; Lee, Doo-Ho

    2009-07-01

    The dynamic properties of viscoelastic damping materials are highly frequency- and temperature-dependent. Numerical methods of structural and acoustic systems require the mathematical model for these dependencies. The fractional-derivative model on damping material has become a powerful solution that describes the frequency-dependent dynamic characteristics of damping materials. The model parameters on a damping material are very important information both for describing the responses of damped structures and in the design of damped structures. The authors proposed an efficient identification method of the material parameters using an optimization technique, showing its applicability through numerical studies in a previous work. In this study, the proposed procedure is applied to a damping material to identify the fractional-derivative-model parameters of viscoelastic materials. In the proposed method, frequency response functions (FRFs) are measured via a cantilever beam impact test. The FRFs on the points identical to those measured are calculated using an FE model with the equivalent stiffness approach. The differences between the measured and the calculated FRFs are minimized using a gradient-based optimization algorithm in order to estimate the true values of the parameters. The FRFs of a damped beam structure are measured in an environmental chamber at different temperatures and used as reference responses. A light impact hammer and a laser vibrometer are used to measure the reference responses. Both linear and nonlinear relationships between the logarithmically scaled shift factors and temperatures are examined during the identification of the material parameters. The applied results show that the proposed method accurately identifies the fractional-derivative-model parameters of a viscoelastic material.

  12. Small Molecule Signaling Agents: The Integrated Chemistry and Biochemistry of Nitrogen Oxides, Oxides of Carbon, Dioxygen, Hydrogen Sulfide, and Their Derived Species

    PubMed Central

    Fukuto, Jon M.; Carrington, Samantha J.; Tantillo, Dean J.; Harrison, Jason G.; Ignarro, Louis J.; Freeman, Bruce A.; Chen, Andrew; Wink, David A.

    2014-01-01

    Several small molecule species formally known primarily as toxic gases have, over the past 20 years, been shown to be endogenously generated signaling molecules. The biological signaling associated with the small molecules NO, CO, H2S (and the nonendogenously generated O2), and their derived species have become a topic of extreme interest. It has become increasingly clear that these small molecule signaling agents form an integrated signaling web that affects/regulates numerous physiological processes. The chemical interactions between these species and each other or biological targets is an important factor in their roles as signaling agents. Thus, a fundamental understanding of the chemistry of these molecules is essential to understanding their biological/physiological utility. This review focuses on this chemistry and attempts to establish the chemical basis for their signaling functions. PMID:22263838

  13. New dimensions in chemistry of materials with lanthanide-chalcogen bonds: Highly emissive molecules, clusters and composites

    NASA Astrophysics Data System (ADS)

    Banerjee, Santanu

    This thesis presents the synthesis and characterization of materials having bonds between hard, electropositive lanthanide metal cations and soft, covalent chalcogen based ligands and a study of their electronic properties. Molecular Ln chalcogenido chalcogenolate clusters LnxEy(ER) z(Ln=La-Lu; E=S,Se,Te; R=C6H5, C6F 5), oxo-ligand containing clusters [LnxEyO z(ER)n,LnxEyOz] and heterovalent clusters [Ln(II)/Ln(III)x (ER)y, Ln(II)/Ln(III) xEy(ER)z, Ln(II)/Ln'(III)x(ER) z Ln(II)/Ln'(III)xEy(ER)z] have been isolated and characterized. These compounds are useful in terms of interpreting the nature of the Ln-E bond and for correlating the physical properties of molecular lanthanide chalcogenolates [Ln(EPh)x] with those of LnxEy solid state materials. Also thermal decomposition of these clusters was investigated to establish the utility of the molecular materials as precursors to solid state materials. In addition to synthesis and structural chemistry, the photoluminescence properties of these compounds were studied in detail. The results of optical studies of different lanthanide compounds with chalcogenido, fluorinated thiolate and mu-Oxo ligands are reported here. Electronic characterization of these materials involves UV-Visible absorption spectroscopy, emission spectroscopy using LASER diode sources, optical gain and fluorescence decay time measurements.

  14. 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

  15. A comprehensive review on biosorption of heavy metals by algal biomass: materials, performances, chemistry, and modeling simulation tools.

    PubMed

    He, Jinsong; Chen, J Paul

    2014-05-01

    Heavy metals contamination has become a global issue of concern due to their higher toxicities, nature of non-biodegradability, high capabilities in bioaccumulation in human body and food chain, and carcinogenicities to humans. A series of researches demonstrate that biosorption is a promising technology for removal of heavy metals from aqueous solutions. Algae serve as good biosorbents due to their abundance in seawater and fresh water, cost-effectiveness, reusability and high metal sorption capacities. This article provides a comprehensive review of recent findings on performances, applications and chemistry of algae (e.g., brown, green and red algae, modified algae and the derivatives) for sequestration of heavy metals. Biosorption kinetics and equilibrium models are reviewed. The mechanisms for biosorption are presented. Biosorption is a complicated process involving ion-exchange, complexation and coordination. Finally the theoretical simulation tools for biosorption equilibrium and kinetics are presented so that the readers can use them for further studies. PMID:24630371

  16. 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.

  17. 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.

  18. 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.

  19. A Guided Materials Screening Approach for Developing Quantitative Sol-gel Derived Protein Microarrays

    PubMed Central

    Helka, Blake-Joseph; Brennan, John D.

    2013-01-01

    Microarrays have found use in the development of high-throughput assays for new materials and discovery of small-molecule drug leads. Herein we describe a guided material screening approach to identify sol-gel based materials that are suitable for producing three-dimensional protein microarrays. The approach first identifies materials that can be printed as microarrays, narrows down the number of materials by identifying those that are compatible with a given enzyme assay, and then hones in on optimal materials based on retention of maximum enzyme activity. This approach is applied to develop microarrays suitable for two different enzyme assays, one using acetylcholinesterase and the other using a set of four key kinases involved in cancer. In each case, it was possible to produce microarrays that could be used for quantitative small-molecule screening assays and production of dose-dependent inhibitor response curves. Importantly, the ability to screen many materials produced information on the types of materials that best suited both microarray production and retention of enzyme activity. The materials data provide insight into basic material requirements necessary for tailoring optimal, high-density sol-gel derived microarrays. PMID:24022739

  20. 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.

  1. 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.

  2. Results and recommendations from the reactor chemistry and corrosion tasks of the reactor materials program

    SciTech Connect

    Baumann, E.W.; Ondrejcin, R.S.

    1990-11-01

    Within the general context of extended service life, the Reactor Materials Program was initiated in 1984. This comprehensive program addressed material performance in SRS reactor tanks and the primary coolant or Process Water System (PWS) piping. Three of the eleven tasks concerned moderator quality and corrosion mitigation. Definition and control of the stainless steel aqueous environment is a key factor in corrosion mitigation. The Reactor Materials Program systematically investigated the SRS environment and its effect on crack initiation and propagation in stainless steel, with the objective of improving this environment. The purpose of this report is to summarize the contributions of Tasks 6, 7 and 10 of the Reactor Materials Program to the understanding and control of moderator quality and its relationship to mitigation of stress corrosion cracking.

  3. 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.

  4. 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

  5. Coordination chemistry in the solid: evidence for coordination modes within hybrid materials different from those in solution.

    PubMed

    Corriu, Robert J P; Embert, Frank; Guari, Yannick; Reyé, Catherine; Guilard, Roger

    2002-12-16

    Two routes of incorporation of europium(III) salts into cyclam-containing hybrid materials have been explored, to elucidate the coordination mode of EuIII in cyclam-containing hybrid materials in a study of the arrangement of cyclam moieties during the solgel process. They were 1) complexation of europium salts by N-tetrasubstituted 1,4,8,11-tetraazacyclotetradecane (cyclam) derivatives bearing four hydrolysable Si(OEt)3 groups, followed by hydrolysis and polycondensation of these complexes; and 2) hydrolysis and polycondensation of N-tetrasubstituted silylated cyclam derivatives, then incorporation of europium salts directly into the hybrid materials. The coordination mode of europium salts within solids is not the same as in solution. In solution, the complexation of EuIII with cyclam is not possible; it requires cyclam derivatives containing N-chelating substituents such as amido groups in an appropriate geometry. In contrast, the incorporation of EuIII into hybrid materials is always possible, whatever the nature of the arms of the cyclam moieties. Thus, EuIII uptake is one EuIII/two macrocycles with cyclam moieties containing N-alkyl substituents. This constitutes the first example of 4N + 4N lanthanide coordination. PMID:12693055

  6. 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). PMID:24857459

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

    NASA Astrophysics Data System (ADS)

    Maximoff, Sergey N.; Smit, Berend

    2014-06-01

    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.

  8. 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.

  9. Research progress on polyoxometalate-based transition-metal-rare-earth heterometallic derived materials: synthetic strategies, structural overview and functional applications.

    PubMed

    Zhao, Jun-Wei; Li, Yan-Zhou; Chen, Li-Juan; Yang, Guo-Yu

    2016-03-15

    With the rapid development of science and technology and the trend of multidisciplinary pervasion, POM-based TM-RE heterometallic chemistry (POM = polyoxometalate, TM = transition-metal, RE = rare-earth) has become one of the most rapidly growing and challengeable areas of inorganic chemistry due to the impressive structural diversities, various chemical compositions and potential applications of these materials in magnetism, optics, electrochemistry, electrocatalysis and materials science. Over the past several years, continuous interest and persisting efforts have been dedicated to the preparation and exploration of POM-based TM-RE heterometallic derived materials (PTRHDMs), which have led to more than two hundred PTRHDMs. In this review, we summarize the structural types of reported PTRHDMs together with synthetic strategies, structural motifs and relevant functional applications. The exciting array of this emerging research theme presages continuous growth and great vitality. In the last section, some prospects of this branch are also presented and possible guidance for future work is outlined. PMID:26894638

  10. Mo 2O 5(OCH 3) 2and Mo 2O 5(OCH 3) 2·2CH 3OH: New Structural Insights Derived from Reaction Chemistry and Diffraction Techniques

    NASA Astrophysics Data System (ADS)

    McCarron, E. M.; Harlow, R. L.; Li, Z. G.; Suto, C.; Yuen, Y.

    1998-03-01

    The reaction of molybdenum trioxide dihydrate, MoO 3· 2H 2O, with methanol produces the title compounds. That these molybdenum oxy-methoxides decompose with liberation of CH 2O suggests that they represent exquisite models for selective oxidation of methanol to formaldehyde over molybdate catalysts. Although a number of physical techniques have been employed to elucidate certain structural features, the actual structures remain unknown. However, their unit cells have been determined for the first time by employing the complimentary nature of electron and powder diffraction techniques. This information coupled with structural insights derived from careful studies of the reaction chemistry, in particular, the synthesis and characterization of a new amorphous intermediate, MoO 3·CH 3OH, has allowed fairly detailed structures for these interesting molybdenum oxy-methoxide materials to be proposed.

  11. Naturally derived materials-based cell and drug delivery systems in skin regeneration.

    PubMed

    Huang, Sha; Fu, Xiaobing

    2010-03-01

    The objective of regenerative medicine is to provide cells with a local environment of artificial extracellular matrix where they can proliferate and differentiate efficiently and therefore, induce the repair of defective tissues according to the natural healing potential of patients. For this purpose, naturally derived materials are being widely used because of their similarities to the extracellular matrix, typically good biocharacteristics and inherent cellular interaction. Also, natural polymers can be engineered to release growth factors and related agents in response to physiologic signals to imitate the natural healing process and to promote fast tissue regeneration and reduce scarring in wounds. Although synthetic materials have been used extensively in tissue engineering fields, this review illustrates the contribution of natural materials and natural materials-based protein delivery systems to regenerative medicine research, with emphasis on the application of multifunctional vehicles for cell and growth factor delivery in skin regeneration research. PMID:19850093

  12. An introduction to the chemistry of graphene.

    PubMed

    Wang, Xiluan; Shi, Gaoquan

    2015-11-21

    Pristine graphene and chemically modified graphenes (CMGs, e.g., graphene oxide, reduced graphene oxide and their derivatives) can react with a variety of chemical substances. These reactions have been applied to modulate the structures and properties of graphene materials, and to extend their functions and practical applications. This perspective outlines the chemistry of graphene, including functionalization, doping, photochemistry, catalytic chemistry, and supramolecular chemistry. The mechanisms of graphene related reactions will be introduced, and the challenges in controlling the chemical reactions of graphene will be discussed. PMID:26465215

  13. 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.

  14. 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)

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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...

  20. 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

  1. 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…

  2. 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…

  3. 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;…

  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. 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

  6. 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.

  7. Climatic implications of background acidity and other chemistry derived from electrical studies of the Greenland Ice Core Project ice core

    NASA Astrophysics Data System (ADS)

    Wolff, Eric W.; Moore, John C.; Clausen, Henrik B.; Hammer, Claus U.

    1997-11-01

    High-resolution continuous profiles were obtained on the Greenland Ice Core Project (GRIP) ice core using two different electrical methods. After correction for temperature and density, the electrical conductivity method (ECM) technique responds only to acidity, while dielectric profiling (DEP) responds to acid, ammonium, and chloride. Detailed chemistry on a section of glacial-age ice allows us to confirm the calibration factor for chloride in DEP. Acidity dominates the DEP variability in the Holocene, Allerod/Bolling, and larger interstadials; ammonium dominates in the Younger Dry as, while chloride is the major contributor in cold periods including smaller interstadials. From the electrical signals plotted on a linear timescale we can deduce the background (nonvolcanic) acidity of the ice, varying from always acidic in the Holocene to always alkaline in the cold periods. In the interstadials, the ice is close to neutral, with most of it acidic in larger interstadials, most of it alkaline in smaller ones, and rapid alternations within interstadials. It is not clear whether neutralization of individual acidic particles occurred in the atmosphere or whether acid and alkaline particles coexisted until deposition in the snowpack. The changes in acidity observed at GRIP apply at least to all of Greenland and probably to much of North America. There would have been ecological effects and important changes in the uptake of some chemicals onto ice. If acidic sulfate particles were neutralized and removed from the atmosphere, which remains uncertain, then there are atmospheric chemistry and radiative effects that require further investigation.

  8. Metal adsorption by quasi cellulose xanthogenates derived from aquatic and terrestrial plant materials.

    PubMed

    Zhou, Wenbing; Ge, Xuan; Zhu, Duanwei; Langdon, Alan; Deng, Li; Hua, Yumei; Zhao, Jianwei

    2011-02-01

    The FTIR spectra, SEM-EDXA and copper adsorption capacities of the raw plant materials, alkali-treated straws and cellulose xanthogenate derivatives of Eichhornia crassipes shoot, rape straw and corn stalk were investigated. FTIR spectra indicated that of the three plant materials, the aquatic biomass of E. crassipes shoot contained more OH and CO groups which accounted for the higher Cu(2+) adsorption capacities of the raw and alkali treated plant material. SEM-EDXA indicated the incorporation of sulphur and magnesium in the cellulose xanthogenate. The Cu(2+) adsorption capacities of the xanthogenates increased with their magnesium and sulphur contents. However more copper was adsorbed than that can be explained by exchange of copper with magnesium. Precipitation may contribute to the enhanced uptake of copper by the cellulose xanthogenate. PMID:21123055

  9. 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.

  10. Tropospheric chemistry

    NASA Technical Reports Server (NTRS)

    Mohnen, V. A.; Chameides, W.; Demerjian, K. L.; Lenschow, D. H.; Logan, J. A.; Mcneal, R. J.; Penkett, S. A.; Platt, U.; Schurath, U.; Dias, P. D.

    1985-01-01

    The chemistry of the background troposphere, the source region, and the transition regions are discussed. The troposphere is governed by heterogeneous chemistry far more so than the stratosphere. Heterogeneous processes of interest involve scavenging of trace gases by aerosols, cloud and precipitation elements leading to aqueous phase chemical reactions and to temporary and permanent removal of material from the gas phase. Dry deposition is a major removal process for ozone, as well as for other gases of importance in tropospheric photochemistry. These processes are also discussed.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. 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

  20. 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).

  1. 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)

  2. 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

  3. Chemistry based on renewable raw materials: perspectives for a sugar cane-based biorefinery.

    PubMed

    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

  4. 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

  5. in-situ chemistry mapping of hydrogen storage materials by neutron diffraction

    SciTech Connect

    Payzant, E Andrew; Bowman Jr, Robert C; Johnson, Terry A; Jorgensen, Scott W

    2013-01-01

    Neutron diffraction was used to nondestructively study the microstructures for two hydrogen storage media systems. In the first case, sodium alanate based hydrogen storage is a vehicle-scale candidate system developed by Sandia/GM. Neutron scattering was used to determine the distribution of phases in the storage media at different hydrogen loading levels, to help understand the absorption/desorption of hydrogen in large-scale systems. This study also included a 3D neutron tomographic study of the microstructure. In the second case, tin-doped lanthanum nickel alloys have been studied at JPL for space-based applications, for which the gradual degradation of the material due to segregation and disproportionation of phases is a known problem. A regenerative process developed to restore the storage properties of these alloys was studied, using in-situ neutron diffraction to relate the microstructure to the thermodynamic simulations.

  6. Atomistic modeling of the solid-state chemistry of actinide materials

    NASA Astrophysics Data System (ADS)

    Shuller, Lindsay C.

    Materials that incorporate actinides are critical to the nuclear fuel cycle, either as nuclear fuels or nuclear waste forms. In this thesis, I examine four materials: i) ThO2-UO2 solid solutions, ii) binary ThO2-CeO2-ZrO2 solid solutions, iii) Np-doped studtite, iv) Np-doped boltwoodite. Computational methods, particularly density functional theory (DFT) calculations and Monte-Carlo (MC) simulations, are used to determine the energetics and structures of these actinide-bearing materials. The solid-solution behavior of nuclear fuels and nuclear waste forms indicate the thermodynamic stability of the material, which is important for understanding the in-reactor fuel properties and long-term stability of used fuel. The ThxU1-xO2 and ThxCe 1-xO2 binaries are almost completely miscible; however, DeltaGmix reveals a small tendency for the systems to exsolve (e.g., DeltaEexsoln(Th xU1-xO2) = 0.13 kJ/(mol cations) at 750 K). Kinetic hindrances (e.g., interfacial energy) may inhibit exsolution, especially at the low temperatures necessary to stabilize the nanoscale exsolution lamellae observed in the ThxU1-xO2 and Ce xZr1-xO2 binaries. Miscibility in the Zr-bearing binaries is limited. At 1400 °C, only 3.6 and 0.09 mol% ZrO2 is miscible in CeO2 and ThO2, respectively. The incorporation of minor amounts of Np5+,6+ into uranium alteration phases, e.g., studtite [UO2O2 (H2O)4] or boltwoodite [K(UO2)(SiO 3OH)(H2O)1.5] , may limit the mobility of aqueous neptunyl complexes released from oxidized nuclear fuels. Np6+-incorporation into studtite requires less energy than Np5+-incorporation (e.g., with source/sink = Np2O5/UO 3 DeltaEincorp(Np6+) = 0.42 eV and DeltaEincorp(Np5+) = 1.12 eV). In addition, Np6+ is completely miscible in studtite at room temperature with respect to a hypothetical Np6+-studtite. Electronic structure calculations provide insight into Np-bonding in studtite. The Np 5f orbitals are within the band gap of studtite, resulting in the narrowing of the band gap

  7. 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.

  8. 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…

  9. Chemistry of enol ethers. LXXIX. Reaction of glutaconaldehyde acetals and their derivatives with heterocyclic compounds. The synthesis of tricarbocyanine dyes

    SciTech Connect

    Makin, S.M.; Kruglikova, R.I.; Shavrygina, O.A.; Kolobova, T.P.; Popova, T.P.; Tagirov, T.K.

    1988-03-10

    The acetal forms of glutaconaldehyde (2,6-dialkoxypyrans, 1,1,5,5-tetraalkoxy-2-pentenes, 5,5-dialkoxy-2-pentenals, and 1,3,5,5-tetraalkoxy-1-pentenes) are capable of reacting with quaternary salts of heterocyclic bases containing an active methyl group in acetic anhydride solution and in the presence of triethylamine with the formation of tricarbocyanine dyes. Syntheses are reported of unsubstituted thio-, indo-, and quinotricarbocyanines and derivatives with various substituents in the polymethine chain. The reaction proceeds readily upon heating glutaconaldehyde derivatives with quaternary salts in acetic anhydride in the presence of triethylamine.

  10. Potential environmental impacts of using refuse derived material for landfill capping.

    PubMed

    van Praagh, Martin; Persson, Kenneth M; Karlsson, Patrik

    2009-08-01

    In this study, the potential impacts on leachate emissions of applying a pretreated refuse-derived material as a capping layer on top of a municipal solid waste landfill were researched. Leachate emissions and stability against degradation were investigated with reference to the untreated material. Results from percolation leaching tests were analysed by multivariate data analysis and chemical speciation modelling. During 6 month aerobic pretreatment in composting windrows with forced aeration, the waste was stabilized against aerobic degradation measured as respiration activity down to 15% of the original value. Initial percolation leachate concentrations were reduced by 40% for As, by 50% for Co, by 60% for Ni, Pb, and total sulfur, by 40% for sulfate-sulfur, by 96% for ammonium nitrate, and by 62% for dissolved organic carbon. An increase was observed by a factor of 4 for Cd, by a factor of 150 for Cu, by a factor of 3 for Zn. Principle Component Analysis revealed that the leaching characteristics of the pretreated material developed towards those of a top soil used as reference material. Increasing the flow rate in column percolation experiments led to lower leachate concentrations at liquid to solid ratios of 10. Constructing a capping layer from the pretreated material is likely to have impacts on the leachate treatment system. PMID:19487315

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Bulk solar grade silicon: how chemistry and physics play to get a benevolent microstructured material

    NASA Astrophysics Data System (ADS)

    Pizzini, S.

    2009-07-01

    The availability of low-cost alternatives to electronic grade silicon has been and still is the condition for the extensive use of photovoltaics as an efficient sun harvesting system. The first step towards this objective was positively carried out in the 1980s and resulted in the reduction in cost and energy of the growth process using as feedstock electronic grade scraps and a variety of solidification procedures, all of which deliver a multi-crystalline material of high photovoltaic quality. The second step was an intense R&D activity aiming at defining and developing at lab scale a new variety of silicon, called “solar grade” silicon, which should fulfil the requirement of both cost effectiveness and high conversion efficiency. The third step involved and still involves the development of cost-effective technologies for the manufacture of solar grade silicon, in alternative to the classical Siemens route, which relays, as is well-known, to the pyrolitic decomposition of high-purity trichlorosilane and which is, also in its more advanced versions, extremely energy intensive. Aim of this paper is to give the author’s viewpoint about some open questions concerning bulk solar silicon for PV applications and about challenges and chances of novel feedstocks of direct metallurgical origin.

  16. A Novel Cathode Material for Cathodic Dehalogenation of 1,1-Dibromo Cyclopropane Derivatives.

    PubMed

    Gütz, Christoph; Selt, Maximilian; Bänziger, Markus; Bucher, Christoph; Römelt, Christina; Hecken, Nadine; Gallou, Fabrice; Galvão, Tomás R; Waldvogel, Siegfried R

    2015-09-28

    Leaded bronze turned out to be an excellent cathode material for the dehalogenation reaction of cyclopropanes without affecting the strained molecular entity. With this particular alloy, beneficial properties of lead cathodes are conserved, whereas the corrosion of cathode is efficiently suppressed. The solvent in the electrolyte determines whether a complete debromination reaction is achieved or if the process can be selectively stopped at the monobromo cyclopropane intermediate. The electroorganic conversion tolerates a variety of functional groups and can be conducted at rather complex substrates like cyclosporine A. This approach allows the sustainable preparation of cyclopropane derivatives. PMID:26250701

  17. 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

  18. Quantum dots derived from two-dimensional materials and their applications for catalysis and energy.

    PubMed

    Wang, Xuewan; Sun, Gengzhi; Li, Nan; Chen, Peng

    2016-04-21

    Quantum dots (QDs) derived from the atomically-thin two-dimensional (2D) sheets (graphene, transition metal dichalcogenide, graphitic carbon nitride, hexagonal boron nitride, and phosphorene) are emerging extraordinary zero-dimensional materials. Covering a broad spectrum of interesting optical, catalytic, electronic, chemical and electrochemical properties, these 2D-QDs promise a wide range of novel applications including imaging, sensing, cancer therapy, optoelectronics, display, catalysis, and energy. In this article, we discuss the synthesis methods and the properties of these 2D-QDs and emphasize their applications in electrocatalysis, photocatalysis, supercapacitors, batteries, and photovoltaics. PMID:26848039

  19. 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.

  20. Genetic algorithms and genetic programming for multiscale modeling: Applications in materials science and chemistry and advances in scalability

    NASA Astrophysics Data System (ADS)

    Sastry, Kumara Narasimha

    2007-03-01

    Effective and efficient rnultiscale modeling is essential to advance both the science and synthesis in a, wide array of fields such as physics, chemistry, materials science; biology, biotechnology and pharmacology. This study investigates the efficacy and potential of rising genetic algorithms for rnultiscale materials modeling and addresses some of the challenges involved in designing competent algorithms that solve hard problems quickly, reliably and accurately. In particular, this thesis demonstrates the use of genetic algorithms (GAs) and genetic programming (GP) in multiscale modeling with the help of two non-trivial case studies in materials science and chemistry. The first case study explores the utility of genetic programming (GP) in multi-timescaling alloy kinetics simulations. In essence, GP is used to bridge molecular dynamics and kinetic Monte Carlo methods to span orders-of-magnitude in simulation time. Specifically, GP is used to regress symbolically an inline barrier function from a limited set of molecular dynamics simulations to enable kinetic Monte Carlo that simulate seconds of real time. Results on a non-trivial example of vacancy-assisted migration on a surface of a face-centered cubic (fcc) Copper-Cobalt (CuxCo 1-x) alloy show that GP predicts all barriers with 0.1% error from calculations for less than 3% of active configurations, independent of type of potentials used to obtain the learning set of barriers via molecular dynamics. The resulting method enables 2--9 orders-of-magnitude increase in real-time dynamics simulations taking 4--7 orders-of-magnitude less CPU time. The second case study presents the application of multiobjective genetic algorithms (MOGAs) in multiscaling quantum chemistry simulations. Specifically, MOGAs are used to bridge high-level quantum chemistry and semiempirical methods to provide accurate representation of complex molecular excited-state and ground-state behavior. Results on ethylene and benzene---two common

  1. Industrial Chemistry and School Chemistry: Making Chemistry Studies More Relevant

    ERIC Educational Resources Information Center

    Hofstein, Avi; Kesner, Miri

    2006-01-01

    In this paper, we present the development and implementation over the period of more than 15 years of learning materials focusing on industrial chemistry as the main theme. The work was conducted in the Department of Science Teaching at the Weizmann Institute of Science, Israel. The project's general goal was to teach chemistry concepts in the…

  2. 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.

  3. 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

  4. 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) . PMID:27319975

  5. 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

  6. 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

  7. 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)

  8. Thiol-ene click chemistry derived cationic cyclodextrin chiral stationary phase and its enhanced separation performance in liquid chromatography.

    PubMed

    Yao, Xiaobin; Tan, Timothy Thatt Yang; Wang, Yong

    2014-01-24

    This work is the first demonstration of a simple thiol-ene click chemistry to anchor vinyl imidazolium β-CD onto thiol silica to form a novel cationic native cyclodextrin (CD) chiral stationary phase (CSP). The CSP afforded high enantioseparation ability towards dansyl (Dns) amino acids, carboxylic aryl compounds and flavonoids in chiral HPLC. The current CSP demonstrates the highest resolving ability (selectivity >1.1, resolution >1.5) towards Dns amino acids in a mobile phase buffered at pH=6.5, with the resolution of Dns-dl-leucine as high as 6.97. 2,4-dichloride propionic acid (2,4-ClPOPA) was well resolved with the selectivity and resolution of 1.37 and 4.88, respectively. Compared to a previously reported native CD-CSP based on a triazole linkage, the current cationic CD-CSP shows a stronger retention and higher resolution towards acidic chiral compounds, ascribed to the propitious strong electrostatic attraction. Stability evaluation results indicated that thiol-ene reaction can provide a facile and robust approach for the preparation of positively charged CD CSPs. PMID:24411138

  9. 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.

  10. 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

  11. 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.

  12. Sol-gel derived hybrid materials doped with rare earth metal ions

    NASA Astrophysics Data System (ADS)

    Zelazowska, E.; Rysiakiewicz-Pasek, E.; Borczuch-Laczka, M.; Cholewa-Kowalska, K.

    2011-10-01

    Sol-gel derived organic-inorganic hybrid materials doped with rare earth metal ions (Pr 3+) and small amounts of lithium ions (˜0.1-0.2 wt.%) were produced from the tetraethyl orthosilicate (TEOS), AlCl 3·6H 2O (about 10 mol%), ethyl methacrylate, butyl methacrylate and some other organic additions (ca. 35-40 wt.% of organics in the fresh gels) to obtain hybrid organic-inorganic hosts. The gel and hybrid materials obtained were aged at room temperature for three weeks, then heated in an electric drier for 3 h at temperature of 125 °C and investigated for morphology, structure and luminescence properties by X-ray diffraction (XRD), scanning electron microscopy equipped with energy dispersive X-ray spectroscopy (SEM/EDS), Fourier transform infrared spectroscopy (FTIR), 29Si and 27Al MAS nuclear magnetic resonance and fluorescence spectroscopy. An influence of the organic additions and inorganic dopants on microstructure of the materials obtained and their luminescence properties has been examined. Under excitation with UV radiation in a range of ˜210-350 nm, the sharp and relatively intense luminescence emission lines due to 3P 0 → 3H 4 (blue) and 3P 0 → 3F 3 (red) transitions of Pr 3+ ions were observed in the luminescence spectra of gel and hybrid materials of SA-series.

  13. Alternative disposal for Investigation Derived Wastes (IDW) containing low activity source material

    SciTech Connect

    Downey, H.T.; Majer, T.

    2007-07-01

    As part of a Remedial Investigation (RI) at a Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) Site, approximately 77,111 kg (85 tons) I would use the actual tons of investigation derived wastes (IDW) were generated from exploratory soil borings and as part of removal activities at a former drum burial area. Characterization of these materials indicated elevated concentrations of metals including uranium and thorium (source material). Concentrations of uranium and thorium were at levels less than 0.05% by mass, which is the threshold for exempt source material under Nuclear Regulatory Commission (NRC) regulations. Disposal of this material was evaluated as low-level radioactive waste and as exempt radioactive waste. The NRC has established a process for evaluation and review of exempt source material transfer and direct disposal in a Resource Conservation and Recovery Act (RCRA) landfill. These requests are normally approved if the dose to a member of the general public is unlikely to exceed 0.25 mSv per year (25 milli-rem per year). The soil was evaluated for disposal as exempt radioactive waste at a RCRA landfill, which included dose modeling to workers during transportation and disposal as well as potential dose to members of the public after closure of the disposal facility. These evaluations determined that the potential dose was very small, and review by the agreement state regulatory agency indicated that this disposal process should not result in any undue hazard to public health and safety or property. The advantage of this approach is that disposal of 77,111 kg (85 tons) of IDW at a RCRA landfill is estimated to result in a savings of $80,000 as compared to disposal as low-level radioactive waste. Alternative waste disposal of exempt source material provides more disposal options and can lead to significant cost savings. (authors)

  14. Hydrothermal carbons from hemicellulose-derived aqueous hydrolysis products as electrode materials for supercapacitors.

    PubMed

    Falco, Camillo; Sieben, Juan Manuel; Brun, Nicolas; Sevilla, Marta; van der Mauelen, Torbjorn; Morallón, Emilia; Cazorla-Amorós, Diego; Titirici, Maria-Magdalena

    2013-02-01

    Acid pretreatment of lignocellulosic biomass, required for bioethanol production, generates large amounts of by-products, such as lignin and hydrolyzed hemicellulose fractions, which have found so far very limited applications. In this work, we demonstrate how the recovered hemicellulose hydrolysis products can be effectively utilized as a precursor for the synthesis of functional carbon materials through hydrothermal carbonization (HTC). The morphology and chemical structure of the synthesized HTC carbons are thoroughly characterized to highlight their similarities with glucose-derived HTC carbons. Furthermore, two routes for introducing porosity within the HTC carbon structure are presented: i) silica nanoparticle hard-templating, which is shown to be a viable method for the synthesis of carbonaceous hollow spheres; and ii) KOH chemical activation. The synthesized activated carbons (ACs) show an extremely high porosity (pore volume≈1.0 cm(3) g(-1)) mostly composed of micropores (90 % of total pore volume). Because of their favorable textural properties, the ACs are further tested as electrodes for supercapacitors, yielding very promising results (300 F g(-1) at 250 mA g(-1)) and confirming the high suitability of KOH-activated HTC carbons derived from spruce and corncob hydrolysis products as materials for electric double layer supercapacitors. PMID:23319452

  15. Energetic multifunctionalized nitraminopyrazoles and their ionic derivatives: ternary hydrogen-bond induced high energy density materials.

    PubMed

    Yin, Ping; Parrish, Damon A; Shreeve, Jean'ne M

    2015-04-15

    Diverse functionalization was introduced into the pyrazole framework giving rise to a new family of ternary hydrogen-bond induced high energy density materials. By incorporating extended cationic interactions, nitramine-based ionic derivatives exhibit good energetic performance and enhanced molecular stability. Performance parameters including heats of formation and detonation properties were calculated by using Gaussian 03 and EXPLO5 v6.01 programs, respectively. It is noteworthy to find that 5-nitramino-3,4-dinitropyrazole, 4, has a remarkable measured density of 1.97 g cm(-3) at 298 K, which is consistent with its crystal density (2.032 g cm(-3), 150 K), and ranks highest among azole-based CHNO compounds. Energetic evaluation indicates that, in addition to the molecular compound 4, some ionic derivatives, 9, 11, 12, 17, 19, and 22, also have high densities (1.83-1.97 g cm(-3)), excellent detonation pressures and velocities (P, 35.6-41.6 GPa; vD, 8880-9430 m s(-1)), as well as acceptable impact and friction sensitivities (IS, 4-30 J; FS, 40-240 N). These attractive features highlight the application potential of nitramino hydrogen-bonded interactions in the design of advanced energetic materials. PMID:25807076

  16. 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.

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

    NASA Astrophysics Data System (ADS)

    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 = βxyy/ βxxx = -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.

  18. 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.

  19. 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'.

  20. 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

  1. 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…

  2. [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. PMID:26978979

  3. Acaricidal activities of materials derived from Pyrus ussuriensis fruits against stored food mites.

    PubMed

    Jeon, Ju-Hyun; Yang, Ji-Yeon; Lee, Hoi-Seon

    2012-07-01

    The acaricidal activities of materials derived from Pyrus ussuriensis fruits were evaluated against Tyrophagus putrescentiae and compared with that of commercial acaricide (benzyl benzoate). On the basis of the 50 % lethal dose (LD(50)) values, the ethyl acetate fraction of the fractions obtained from an aqueous extract of P. ussuriensis fruits had the highest acaricidal activity (16.32 μg/cm(2)) against T. putrescentiae. The acaricidal constituent of P. ussuriensis fruits was isolated by chromatographic techniques and identified as 1,4-benzoquinone. On the basis of the LD(50) values, 1,4-benzoquinone (1.98 μg/cm(2)) was 5.9 times more toxic than benzyl benzoate (11.69 μg/cm(2)), followed by 2-isopropyl-5-methyl-1,4-benzoquinone (3.29 μg/cm(2)), and 2,3-dimethoxy-5-methyl-1,4-benzoquinone (5.03 μg/cm(2)) against T. putrescentiae in the fumigant bioassay. In a filter paper bioassay, the acaricidal activity of 1,4-benzoquinone (0.07 μg/cm(2)) was 120.1 times more effective than that of benzyl benzoate (8.41 μg/cm(2)), followed by 2-isopropyl-5-methyl-1,4-benzoquinone (0.11 μg/cm(2)) and 2,3-dimethoxy-5-methyl-1,4-benzoquinone (0.30 μg/cm(2)) against T. putrescentiae. These results demonstrate that P. ussuriensis fruit-derived material and its derivatives have potential as new preventive agents for the control of stored food mites. PMID:22980009

  4. 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.

  5. [Advances in the research of natural polymeric materials and their derivatives in the manufacture of scaffolds for dermal tissue engineering].

    PubMed

    Li, R; Wang, H; Leng, C Y; Wang, K; Xie, Y

    2016-05-20

    Natural polymeric materials and their derivatives are organic macromolecular compounds which exist in plants, animals, and micro-organisms. They have been widely used in the preparation of scaffolds for skin tissue engineering recently because of their good histocompatibility and degradability, and low immunogenicity. With the improvement of the preparation technics, composite materials are more commonly used to make scaffolds for dermal tissue engineering. This article summarizes the classification and research status of the commonly used natural polymer materials, their derivatives, and composite scaffold materials, as well as makes a prospect of the research trends of dermal scaffold in the future. PMID:27188491

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

    PubMed Central

    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

  7. Eco-friendly step-and-flash imprint lithography using ultraviolet-curing liquid material with lactulose derivative derived from medicinal drugs for biomicrochips

    NASA Astrophysics Data System (ADS)

    Takei, Satoshi

    2014-02-01

    Eco-friendly step-and-flash imprint lithography was investigated for the future high-volume manufacture of biomicrochips. A nanoimprinted ultraviolet-curing liquid material with a lactulose derivative derived from medicinal drugs was found to have excellent UV curing properties, film shrinkage during a UV curing reaction, and good etch selectivity with a silicon-based middle layer in CF4 plasma treatment. 80 nm half-pitch lines of the nanoimprinted ultraviolet-curing liquid material with a lactulose derivative were resolved using the process conditions for a trilayer including a silicon-based middle layer with a high silicon concentration of 21.5 wt % and a novolac-based bottom layer on a 100 mm silicon wafer in step-and-flash imprint lithography.

  8. Limnocytherid Ostracod Paleoecology and Stable Isotope Chemistry: Evidence of Climate Change Derived From Lough Monreagh Sediment, Western Ireland

    NASA Astrophysics Data System (ADS)

    Mc Kenzie, S. M.; Patterson, W. P.; Holmden, C.; Tibert, N. E.

    2008-12-01

    Biota preserved in marl lakes of western Ireland represent an excellent record of climatic variability in Western Europe and the North Atlantic Region. Oxygen isotope values of lacustrine biota conflate source precipitation and temperature variability while carbon isotope values serve as a proxy for Late Pleistocene and Early Holocene changes in vegetation and lake carbon cycling. Blanket bog carbonate sediments from Lough Monreagh in County Clare, Ireland, contain abundant ostracoda instars of Limnocytherina sanctipatricii and Metacypris cordata that were analyzed for stable oxygen and carbon isotope values. Basal marl (extrapolated age 18.3-17.9Kyr) contains an interval of benthic, cold water (4-5°C), Linmocytherina sanctipatricii with high δ13C values (-1 to +1‰VPDB) and low δ18O values (-7‰VPDB) suggesting Viséan bedrock control of lake water carbon chemistry and a moisture source with low δ18O values. This Limnocytherid bed represents a time when lake waters warmed to ~4°C (the preferred temperature for this species). Limnocytherina sanctipatricii make a second appearance at ~15.1 Kyr, in advance of Younger Dryas cold period represented by a clay layer in the core. They persist until 12.8Kyr when temperatures presumably became too cool for this species. As before, the ostracoda exhibit high δ13C values (0 to +2‰VPDB) through this period indicating relatively little terrestrial vegetation between deglaciation and the Younger Dryas. However, δ18O values are much higher than before (0 to - 3‰VPDB) indicating that the moisture source has changed. Limnocytherids return for a third time at 11.7Kyr, immediately following the Younger Dryas cold interval, when the climate had warmed enough to allow for recolonization. Their reappearance was short lived, however, and by 11.3Kyr steadily increasing temperatures caused their decline, while at the same time allowing for colonization by warm-water Paracandona euplectella and other Candonids. Lower δ13C and

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. Thermodynamic properties of several soil- and sediment-derived natural organic materials.

    PubMed

    DeLapp, Rossane C; LeBoeuf, Eugene J; Bell, Katherine D

    2004-01-01

    Improved understanding of the structure of soil- and sediment-derived organic matter is critical to elucidating the mechanisms that control the reactivity and transport of contaminants in the environment. This work focuses on an experimental investigation of thermodynamic properties that are a function of the macromolecular structure of natural organic matter (NOM). A suite of thermal analysis instruments were employed to quantify glass transition temperatures (Tg), constant-pressure specific heat capacities (Cp), and thermal expansion coefficients (alpha) of several International Humic Substances Society (IHSS) soil-, sediment-, and aquatic-derived NOMs. Thermal mechanical analysis (TMA) of selected NOMs identified Tgs between 36 and 72 degrees C, and alphas ranging from 11 mum/m degrees C below the Tg to 242 mum/m degrees C above the Tg. Standard differential scanning calorimetry (DSC) and temperature-modulated differential scanning calorimetry (TMDSC) measurements provided additional evidence of glass transition behavior, including identification of multiple transition behavior in two aquatic samples. TMDSC also provided quantitative measures of Cp at 0 and 25 degrees C, ranging from 1.27 to 1.44 J/g degrees C. Results from TMA, DSC, and TMDSC analyses are consistent with glass transition theories for organic macromolecules, and the glass transition behavior of other NOM materials reported in previous studies. Discussion of the importance of quantifying these thermodynamic properties is presented in terms of improved physical and chemical characterization of NOM structures, and in terms of providing constraints to molecular simulation models of NOM structures. PMID:14581055

  14. 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.

  15. 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.

  16. 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.

  17. 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.

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

    DOE PAGESBeta

    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

  19. 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.

  20. 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

  1. 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

  2. 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

  3. 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

  4. Review of information on the radiation chemistry of materials around waste canisters in salt and assessment of the need for additional experimental information

    SciTech Connect

    Jenks, G.H.; Baes, C.F. Jr.

    1980-03-01

    The brines, vapors, and salts precipitated from the brines will be exposed to gamma rays and to elevated temperatures in the regions close to a waste package in the salt. Accordingly, they will be subject to changes in composition brought about by reactions induced by the radiations and heat. This report reviews the status of information on the radiation chemistry of brines, gases, and solids which might be present around a waste package in salt and to assess the need for additional laboratory investigations on the radiation chemistry of these materials. The basic aspects of the radiation chemistry of water and aqueous solutions, including concentrated salt solutions, were reviewed briefly and found to be substantially unchanged from those presented in Jenks's 1972 review of radiolysis and hydrolysis in salt-mine brines. Some additional information pertaining to the radiolytic yields and reactions in brine solutions has become available since the previous review, and this information will be useful in the eventual, complete elucidation of the radiation chemistry of the salt-mine brines. 53 references.

  5. 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

  6. 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

  7. 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. PMID:27308215

  8. 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

  9. 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. PMID:24026420

  10. 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

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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

  16. 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 +]…

  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. A review of conditions affecting the radiolysis due to 40K on nucleic acid bases and their derivatives adsorbed on clay minerals: implications in prebiotic chemistry.

    PubMed

    Mosqueira, F G; Albarran, G; Negron-Mendoza, A

    1996-02-01

    This paper describes the possible effects of ionizing radiation arising from long-lived soluble radionuclides within clays, in particular 40K, at the epoch of the emergence of life on Earth. The free dispersion of soluble radionuclides constitutes an effective in situ irradiation mechanism that might have acted upon adsorbed nucleic bases and their derivatives on clays, inducing chemical changes on these organic molecules. Several types of well documented reactions for radiolysis of nucleic acid bases and their derivatives are known, even at low doses (i.e., 0.1 Gy). For example, estimates with a dose rate calculated from 40K from deep sea clays at 3.8 Ga ago, indicates that over a period of 1000 years the amount of organic material transformated is 1.8 X 10(-7) moles/kg-clay. Although ionizing radiation may also induce synthetic reactions with prebiological interest, all in all these considerations indicate that nucleic acid bases and their derivatives adsorbed on clays were exposed for long periods to degradation conditions. Such situation promotes decomposition of organic molecules rather than protection of them and enhancement of farther polymerization, as it has been usually taken for granted. PMID:11536747

  19. 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

  20. Microemulsion and micellar electrokinetic chromatography of Hematoporphyrin D: a starting material of hematoporphyrin derivative.

    PubMed

    Li, Qi; Chang, C K; Huie, Carmen W

    2005-02-01

    An investigation of the basic factors which govern the microemulsion electrokinetic chromatography (MEEKC) and micellar electrokinetic chromatography (MEKC) separation of Hematoporphyrin D and its base hydrolysis product, hematoporphyrin derivative (HpD), was performed. These model compounds contain a complex mixture of porphyrin monomers, dimers and/or oligomers, and were utilized to gain insights into the MEEKC/micellar electrokinetic chromatography (MEKC) separation of samples containing highly lipophilic substances. For example, the organic modifier/cosurfactant (1-butanol) and/or oil phase (e.g., 1-octanol in comparison to ethyl acetate) were found to have an apparent influence on the separation selectivity of Hematoporphyrin D, the extent of which was dependent on the chemical nature of the surfactant employed (e.g., sodium dodecyl sulfate vs. sodium cholate). An interesting and important finding was that the presence of an organic modifier (methanol or acetonitrile at a concentration of 20% or higher) in the sample matrix as well as in the run buffer was essential for the optimal MEEKC or MEKC separation of a number of porphyrin monomers (including hematoporphyrin IX and its acetates, most likely hydroxyacetate, diacetate, and vinyl acetate, as well as its dehydration products, hydroxyethylvinyldeuteroporphyrin and protoporphyrin) contained in Hematoporphyrin D. On the other hand, the use of these optimized conditions for the MEEKC or MEKC separation of various oligomeric porphyrin species in HpD were unsatisfactory. As HpD is a well-known and effective photosensitizing agent in photodynamic therapy (a new approach for cancer treatment), the improved separation and characterization of various monomeric and oligomeric porphyrin species in HpD and its starting material, such as Hematoporphyrin D, is a challenging and important task. PMID:15669006

  1. 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)

  2. 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.

  3. 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.

  4. 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.

  5. 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. PMID:24656358

  6. On surface order and disorder of α-pinene-derived secondary organic material.

    PubMed

    Shrestha, Mona; Zhang, Yue; Upshur, Mary Alice; Liu, Pengfei; Blair, Sandra L; Wang, Hong-Fei; Nizkorodov, Sergey A; Thomson, Regan J; 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 toward the presence of a reversible surface switch for hindering (more ordered, <2%RH) and promoting (less

  7. 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

  8. 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)

  9. 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)

  10. ENVIRONMENTAL CHEMISTRY

    EPA Science Inventory

    Environmental chemistry is applied to estimating the exposure of ecosystems and humans to various chemical environmental stressors. Among the stressors of concern are mercury, pesticides, and arsenic. Advanced analytical chemistry techniques are used to measure these stressors ...

  11. 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.

  12. Improved size exclusion chromatography of coal derived materials using N-methyl-2-pyrolidinone as mobile phase

    SciTech Connect

    Johnson, B.R.; Bartle, K.D.; Mitchell, S.C.

    1995-12-31

    A detailed knowledge of the molecular mass distribution (MMD) in coal and its derived products is essential for a fundamental understanding of coal structure, and of the processes occurring during pyrolyis, liquefaction and combustion. In size exclusion chromatography (SEC) tetrahydrofuran (THF) is commonly employed as the mobile phase. However, THF has limited solvating power and consequently a significant proportion of such materials goes undetected. By comparison, N-methyl-2-pyrolidinone is capable of solvating more of the coal sample and therefore gives the opportunity to determine an improved MMD. In this contribution the extended capabilities of NRP as the mobile phase are demonstrated by analysis of the solutions from solvent fractionation of a coal tar pitch, by SEC using UV/V is absorption, fluorescence and differential refractive index detection. Further application to other coal derived materials appears to indicate that separation is by a substantially size-dependent mechanism.

  13. 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

  14. 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

  15. 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

  16. Gelatin-derived sustainable carbon-based functional materials for energy conversion and storage with controllability of structure and component.

    PubMed

    Wang, Zhong-Li; Xu, Dan; Zhong, Hai-Xia; Wang, Jun; Meng, Fan-Lu; Zhang, Xin-Bo

    2015-02-01

    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-N x /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

  17. 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…

  18. Vesta's Pinaria region: Original basaltic achondrite material derived from mixing upper and lower crust

    NASA Astrophysics Data System (ADS)

    McFadden, L. A.; Combe, J.-P.; Ammannito, E.; Frigeri, A.; Stephan, K.; Longobardo, A.; Palomba, E.; Tosi, F.; Zambon, F.; Krohn, K.; De Sanctis, M. C.; Reddy, V.; Le Corre, L.; Nathues, A.; Pieters, C. M.; Prettyman, T. H.; Raymond, C. A.; Russell, C. T.

    2015-10-01

    Analysis of data from the Dawn mission shows that the Pinaria region of Vesta spanning a portion of the rim of the Rheasilvia basin is bright and anhydrous. Reflectance spectra, absorption band centers, and their variations, cover the range of pyroxenes from diogenite-rich to howardite and eucrite compositions, with no evidence of olivine in this region. By examining band centers and depths of the floor, walls and rims of six major craters in the region, we find a lane of diogenite-rich material next to howardite-eucrite material that does not follow the local topography. The source of this material is not clear and is probably ejecta from post-Rheasilvia impacts. Material of a howardite-eucrite composition originating from beyond the Rheasilvia basin is evident on the western edge of the region. Overall, the Pinaria region exposes the complete range of basaltic achondrite parent body material, with little evidence of contamination of non-basaltic achondrite material. With both high reflectance and low abundance of hydrated material, this region of Vesta may be considered the "Pinaria desert".

  19. Improved size exclusion chromatography of coal derived materials using N-methyl-2-pyrrolidinone as mobile phase

    SciTech Connect

    Johnson, B.R.; Bartle, K.D.; Herod, A.A.; Kandiyoti, R.

    1995-12-31

    A detailed knowledge of the molecular mass distribution (MMD) in coal and its derived products is essential for a fundamental understanding of coal structure, and of the processes occurring during pyrolysis, liquefaction and combustion. Indeed with increased economic and environmental pressure to use natural resources more effectively such knowledge can be applied to gaining more from finite coal reserves. Of the methods available for determining MMDs size exclusion chromatography (SEC) is perhaps the most routinely employed. In SEC tetrahydrofuran (THF) is the most commonly employed mobile phase. However THF has limited solvating power for coal derived materials and consequently a significant proportion of such materials goes undetected. In addition the interpretation of chromatograms with reference to calibration of the column with polystyrene standards is flawed. By comparison, N-methyl-2-pyrrolidinone (NMP) is capable of solvating more of the coal sample and therefore gives the opportunity to determine an improved MMD. In this contribution the extended capabilities of NMP as the mobile phase are demonstrated primarily through the analysis of a coal tar pitch. Both NMP and THF are used as mobile phases for SEC using a number of detection techniques, allowing comparison and evaluation of different chromatographic systems to the analysis of coal derived materials.

  20. Pyrolytic carbon derived from coffee shells as anode materials for lithium batteries

    NASA Astrophysics Data System (ADS)

    Hwang, Yun Ju; Jeong, Soo Kyung; Nahm, Kee Suk; Shin, Jae Sun; Manuel Stephan, A.

    2007-02-01

    Disordered carbonaceous materials have been obtained by pyrolysis of coffee shells at 800 and 900 °C with pore-forming substances such as KOH and ZnCl2. X-ray diffraction studies revealed a carbon structure with a large number of disorganized single layer carbon sheets. The structure and morphology of the materials have been greatly varied upon the addition of porogens. The prepared carbon materials have been subjected to cycling studies. The KOH-treated products offered higher capacity with improved stability than those with untreated and ZnCl2-treated one.

  1. 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.

  2. 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.

  3. 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.

  4. Low consumption power variable optical attenuator with sol-gel derived organic/inorganic hybrid materials

    NASA Astrophysics Data System (ADS)

    Li, Dongxiao; Zhang, Yanwu; Liu, Liying; Xu, Lei

    2006-06-01

    An integrated optical waveguide variable optical attenuator (VOA) made of organic/inorganic hybrid materials was fabricated. At 1550 nm, the VOA showed a very low activation power of about 13 mW, due to the large thermo-optic coefficients of the hybrid materials. The optical power attenuations achieved were more than 25 dB for both TE and TM polarization. The response time of the device was less than 4.7 ms.

  5. 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.

  6. Industrial Chemistry and School Chemistry: Making chemistry studies more relevant

    NASA Astrophysics Data System (ADS)

    Hofstein, Avi; Kesner, Miri

    2006-07-01

    In this paper, we present the development and implementation over the period of more than 15 years of learning materials focusing on industrial chemistry as the main theme. The work was conducted in the Department of Science Teaching at the Weizmann Institute of Science, Israel. The project’s general goal was to teach chemistry concepts in the context of industrial chemistry in order to present chemistry as a relevant topic both to the students personally as well as to the society in which they live. The learning materials that were developed during this period were in alignment with the changes and reforms that were conducted in the Israeli educational system. These developments were accompanied with intensive and comprehensive professional development courses and workshops. In addition, several research and evaluation projects were conducted with the goal to assess students’ achievements and to probe into the students’ perceptions regarding the classroom learning environment and the teachers’ and students’ attitudes towards the various instructional and learning materials techniques that were implemented in the programme throughout these years. This paper is structured attempting to describe the curricular cycle in alignment with Goodlad’s and Van den Akker’s curriculum representations.

  7. 3,6-Diarylcarbazole Derivatives as a Host Material in Organic Electrophosphorescent Diodes

    NASA Astrophysics Data System (ADS)

    Muneuchi, Kenji; Sasaki, Masaomi; Sasabe, Hiroyuki; Adachi, Chihaya

    2010-08-01

    We synthesized 3,6-diarylcarbazole (CBZ) derivatives and investigated their thin-film optical (i.e., absorption, fluorescence and phosphorescence) properties and electroluminescence characteristics. We fabricated phosphorescent organic light-emitting diodes (OLEDs) employing CBZ derivatives as the host and fac-tris(2-phenypyridine)iridium [Ir(ppy)3] as the guest at a doping concentration of 6 wt %. These devices exhibited maximum external quantum efficiencies (ηext) in the range 1 to 11%, depending on the host. In particular, the OLED with CBZ7 as the host exhibited the highest ηext of 11.2% and a maximum power conversion efficiency (ηenergy) of 25 lm/W.

  8. 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.

  9. 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. PMID:22945830

  10. 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.

  11. A Cooperative Chemistry Project: Chemsource.

    ERIC Educational Resources Information Center

    Giles, Catherine Y.

    1994-01-01

    Chemsource is a set of instructional materials designed as a resource for high school chemistry teachers, particularly those not trained in the discipline. Materials consist of a videotape demonstrating both generic and science-specific teaching skills and a textbook on varied chemistry topics, including suggested teaching techniques and…

  12. 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.

  13. 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.

  14. 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

  15. Mesoporous materials derived from synthetic organo-clays as novel hydrodesulfurization catalysts

    SciTech Connect

    Carrado, K.A.; Marshall, C.L.; Brenner, J.R.

    1996-12-31

    Various pore size distributions are found for synthetic organo-clay complexes from which the organic portion has been removed via calcination. The clays are prepared by hydrothermal crystallization of gels containing silica, magnesium hydroxide, lithium fluoride, and an organic of choice. The organic serves to impart long-range structural order to the inorganic network that does not disappear upon its removal. Mesoporous materials are prepared from a host of organic modifiers. For example, pore diameters of 40-50{Angstrom} result from tetraethyl ammonium and celluloses, and polydimethyl diallyl ammonium imparts diameters of about 110{Angstrom} on average. These materials have begun to be explored as hydrodesulfurization (HDS) catalyst supports. Preliminary results show performance commensurate with commercial catalysts for the mesoporous materials when a model oil feed is used (1% dibenzothiophene in hexadecane). The target application is HDS of an actual heavy crude oil from California.

  16. 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.

  17. Branched Hydrocarbon Low Surface Energy Materials for Superhydrophobic Nanoparticle Derived Surfaces.

    PubMed

    Alexander, Shirin; Eastoe, Julian; Lord, Alex M; Guittard, Frédéric; Barron, Andrew R

    2016-01-13

    We present a new class of superhydrophobic surfaces created from low-cost and easily synthesized aluminum oxide nanoparticles functionalized carboxylic acids having highly branched hydrocarbon (HC) chains. These branched chains are new low surface energy materials (LSEMs) which can replace environmentally hazardous and expensive fluorocarbons (FCs). Regardless of coating method and curing temperature, the resulting textured surfaces develop water contact angles (θ) of ∼155° and root-mean-square roughnesses (Rq) ≈ 85 nm, being comparable with equivalent FC functionalized surfaces (θ = 157° and Rq = 100 nm). The functionalized nanoparticles may be coated onto a variety of substrates to generate different superhydrophobic materials. PMID:26641156

  18. Poly(1-vinylindole) and some of its methyl derivatives as substrates for photorefractive materials: their synthesis, optical, and electrical characterization

    NASA Astrophysics Data System (ADS)

    Colligiani, Arturo; Brustolin, Fiorella; Castelvetro, Valter; Ciardelli, Francesco; Ruggeri, Giacomo

    2000-11-01

    The best conditions for the synthesis of poly(1-vinylindole) (PVI) and some of its methyl derivatives have been investigated. The aim of the research was to verify if PVI could be used instead of poly(1- vinylcarbazole) (PVK) in polymeric blends having photoconductive and/or photorefractive behavior. All synthesized polymers are characterized by a glass transition temperature that is lower than that of PVK. It has been verified that the indole ring system, inclusive of its methyl substituted derivatives, lacking of the symmetry characteristics of carbazole, possesses an electric dipole moment that is constantly higher than that of PVK. A higher dipole moment can be an advantageous feature to improve the solubility within the polymetric matrix of the optically non-linear molecule, necessary for photorefractivity. Charge-transfer complexes with a fluorenone-like photosensitizer are efficiently formed by both PVI and its derivatives. A direct current measuring apparatus has been assembled by which photocurrents of few picoamperes can be detected and recorded. Preliminary reported results clearly show that PVI is a photoconductive material. Its photoconductivity is compared with that of PVK and of hybrid materials containing mixtures of carbazole and indole moieties, present in the measuring cell as pendant groups on a macromolecular chain, as single molecules, or both.

  19. Hierarchical Porous Carbon Materials Derived from Sheep Manure for High-Capacity Supercapacitors.

    PubMed

    Zhang, Caiyun; Zhu, Xiaohong; Cao, Min; Li, Menglin; Li, Na; Lai, Liuqin; Zhu, Jiliang; Wei, Dacheng

    2016-05-10

    3 D capacitance: Hierarchical porous carbon-based electrode materials with a composite structure are prepared from a biomass waste by a facile carbonization and activation process without using any additional templates. Benefiting from the composite structure, the ions experience a variety of environments, which contribute significantly to the excellent electrochemical properties of supercapacitors. PMID:27059168

  20. 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

  1. Sol-gel-derived hybrid materials multi-doped with rare-earth metal ions

    NASA Astrophysics Data System (ADS)

    Zelazowska, E.; Rysiakiewicz-Pasek, E.; Borczuch-Laczka, M.; Cholewa-Kowalska, K.

    2012-06-01

    Four different hybrid organic-inorganic materials based on TiO2-SiO2 matrices with organic additives and doped with rare-earth metal ions (III) from the group of europium, cerium, terbium, neodymium, dysprosium and samarium, were synthesized by sol-gel method. Tetraethyl orthosilicate, titanium (IV) isopropoxide and organic compounds, such as butyl acrylate, butyl methacrylate, ethyl acetoacetate, ethylene glycol dimethacrylate, ethyl acetate, propylene carbonate, organic solvents and certain inorganic salts were used in the synthesis. The inorganic part of the sols, which were used in the synthesis of all the hybrid materials, was prepared separately and then the organic parts were added. The materials obtained were aged for three weeks at room temperature and then heated in an electric oven for three hours at temperatures of 80 °C-150 °C. Scanning electron microscopy equipped with energy dispersive X-ray spectroscopy (SEM/EDX); X-ray diffraction (XRD); Fourier transform infrared spectroscopy (KBr technique); 29Si magic-angle spinning nuclear magnetic resonance; and fluorescence spectroscopy were used for the examination of morphology, microstructure and luminescence properties, respectively. Photoluminescence properties with relatively intense narrow emission lines of Tb, Eu, Dy, Nd, Sm respectively to the RE-ions doping, were observed for all the hybrid materials.

  2. 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

  3. 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. PMID:26568299

  4. Physico-chemical studies of fused phenanthrimidazole derivative as sensitive NLO material

    NASA Astrophysics Data System (ADS)

    Jayabharathi, Jayaraman; Thanikachalam, Venugopal; Sathishkumar, Ramalingam; Jayamoorthy, Karunamoorthy

    2013-01-01

    Heterocyclic phenanthrimidazole derivative, 2-(4-fluorophenyl)-1-p-tolyl-1H-imidazo[4,5-f] [1,10] phenanthroline (FPTIP) has been synthesized and characterised by NMR, mass and CHN analysis. The FPTIP was evaluated concerning their solvatochromic properties and molecular optical nonlinearities. Their electric dipole moment (μ), polarizability (α) and hyperpolarizability (β) have been calculated theoretically and the results indicate that the extension of the π-framework of the ligands has an effect on the NLO properties. The energies of the HOMO and LUMO levels and the molecular electrostatic potential (MEP) energy surface studies have exploited the existence of intramolecular charge transfer (ICT) within the molecule.

  5. 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

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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. PMID:25965318

  13. 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.

  14. [Synthesis and spectroscopy of composite materials made from lanthanide-substituted polyoxotungstate and hemicyanine derivative].

    PubMed

    Gao, Li-Hua; Wang, Ke-Zhi

    2008-01-01

    The organic composite materials formed by Keggin lanthanide-substituted polyoxotungstate anion [Ln(SiW11 O39)2 ]13- (in which Ln = La, Ce, Pr, Nd, Sm) and (E)-N-methyl-4-(2-(4'-dimethylaminophenyl)ethenyl)pyridinium cation with the stoichiometry of (C16 H19 N2 )10 K3 [Ln(SiW11 O39)2], have been synthesized and characterized by elemental analyses, thermogravimetric and differential thermal analyses, and IR, UV-Vis, and fluorescence spectroscopy. The results of spectra show that the title compounds have Keggin structure, and inorganic-organic composite materials are formed between the hemicyanine cations and the heteropoly anions, and the charge transfer occurs from the hemicyanine cations to the the heteropoly anions in title complexes. The compounds reported in this paper are interesting as optical materils. PMID:18422112

  15. 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

  16. Preparation of energy storage material derived from a used cigarette filter for a supercapacitor electrode.

    PubMed

    Lee, Minzae; Kim, Gil-Pyo; Don Song, Hyeon; Park, Soomin; Yi, Jongheop

    2014-08-29

    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. PMID:25092115

  17. 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.

  18. 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.

  19. 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.

  20. Chemistry in Protoplanetary Disks

    NASA Astrophysics Data System (ADS)

    Henning, Thomas; Semenov, Dmitry

    2013-12-01

    This comprehensive review summarizes our current understanding of the evolution of gas, solids and molecular ices in protoplanetary disks. Key findings related to disk physics and chemistry, both observationally and theoretically, are highlighted. We discuss which molecular probes are used to derive gas temperature, density, ionization state, kinematics, deuterium fractionation, and study organic matter in protoplanetary disks.

  1. 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

  2. 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.

  3. Outgassing of ordinary chondritic material and some of its implications for the chemistry of asteroids, planets, and satellites

    NASA Astrophysics Data System (ADS)

    Schaefer, Laura; Fegley, Bruce

    2007-02-01

    We used chemical equilibrium calculations to model thermal outgassing of ordinary chondritic material as a function of temperature, pressure, and bulk composition and use our results to discuss outgassing on asteroids and the early Earth. The calculations include ∼1000 solids and gases of the elements Al, C, Ca, Cl, Co, Cr, F, Fe, H, K, Mg, Mn, N, Na, Ni, O, P, S, Si, and Ti. The major outgassed volatiles from ordinary chondritic material are CH4, H2, H2O, N2, and NH3 (the latter at conditions where hydrous minerals form). Contrary to widely held assumptions, CO is never the major C-bearing gas during ordinary chondrite metamorphism. The calculated oxygen fugacity (partial pressure) of ordinary chondritic material is close to that of the quartz-fayalite-iron (QFI) buffer. Our results are insensitive to variable total pressure, variable volatile element abundances, and kinetic inhibition of C and N dissolution in Fe metal. Our results predict that Earth's early atmosphere contained CH4, H2, H2O, N2, and NH3; similar to that used in Miller-Urey synthesis of organic compounds.

  4. 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)

  5. Technetium chemistry

    SciTech Connect

    Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S.; Barrera, J.; Hall, K.; Burrell, A.

    1996-04-01

    Technetium chemistry is a young and developing field. Despite the limited knowledge of its chemistry, technetium is the workhorse for nuclear medicine. Technetium is also a significant environmental concern because it is formed as a byproduct of nuclear weapons production and fission-power generators. Development of new technetium radio-pharmaceuticals and effective environmental control depends strongly upon knowledge of basic technetium chemistry. The authors performed research into the basic coordination and organometallic chemistry of technetium and used this knowledge to address nuclear medicine and environmental applications. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  6. 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.

  7. Antibacterial and Biofilm-Disrupting Coatings from Resin Acid-Derived Materials.

    PubMed

    Ganewatta, Mitra S; Miller, Kristen P; Singleton, S Parker; Mehrpouya-Bahrami, Pegah; Chen, Yung P; Yan, Yi; Nagarkatti, Mitzi; Nagarkatti, Prakash; Decho, Alan W; Tang, Chuanbing

    2015-10-12

    We report antibacterial, antibiofilm, and biocompatible properties of surface-immobilized, quaternary ammonium-containing, resin acid-derived compounds and polycations that are known to be efficient antimicrobial agents with minimum toxicities to mammalian cells. Surface immobilization was carried out by the employment of two robust, efficient chemical methods: Copper-catalyzed azide-alkyne 1,3-dipolar cycloaddition click reaction, and surface-initiated atom transfer radical polymerization. Antibacterial and antibiofilm activities against Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli were strong. Hemolysis assays and the growth of human dermal fibroblasts on the modified surfaces evidenced their biocompatibility. We demonstrate that the grafting of quaternary ammonium-decorated abietic acid compounds and polymers from surfaces enables the incorporation of renewable biomass in an effective manner to combat bacteria and biofilm formation in biomedical applications. PMID:26324023

  8. 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).

  9. 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

  10. 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.

  11. 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.

  12. 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

  13. 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

  14. 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. PMID:17980468

  15. Towards computational materials design from first principles using alchemical changes and derivatives.

    SciTech Connect

    von Lilienfeld-Toal, Otto Anatole

    2010-11-01

    The design of new materials with specific physical, chemical, or biological properties is a central goal of much research in materials and medicinal sciences. Except for the simplest and most restricted cases brute-force computational screening of all possible compounds for interesting properties is beyond any current capacity due to the combinatorial nature of chemical compound space (set of stoichiometries and configurations). Consequently, when it comes to computationally optimizing more complex systems, reliable optimization algorithms must not only trade-off sufficient accuracy and computational speed of the models involved, they must also aim for rapid convergence in terms of number of compounds 'visited'. I will give an overview on recent progress on alchemical first principles paths and gradients in compound space that appear to be promising ingredients for more efficient property optimizations. Specifically, based on molecular grand canonical density functional theory an approach will be presented for the construction of high-dimensional yet analytical property gradients in chemical compound space. Thereafter, applications to molecular HOMO eigenvalues, catalyst design, and other problems and systems shall be discussed.

  16. Chemistry of Dry Deposition on Building Materials at an Urban Site on Indo Gangetic Plain in India

    NASA Astrophysics Data System (ADS)

    Kumar, R.; Srivastava, S. S.; Kumari, K. M.

    2008-05-01

    Dry deposition is an important pathway for removal of pollutants from the atmosphere to earth surfaces. Agra is famous for historical monuments and cultural heritage worldwide. Increase in atmospheric contamination has caused extinction threats to building materials. The main pollutants of concern are S and N species. This paper deals with deposition of F-, Cl-, SO42-, NO3-, SO2, HNO3, NH3, Na+, K+, Ca2+, Mg2+ and NH4+ on marbles and red stones at Agra a site in Indo-Gangetic Plain. Dry deposition was higher on white marble than red stone. X-ray study reveals that higher deposition on marble is probably due to chemical characteristics of surfaces. Direct measurements study are cumbersome and tedious so an alternate method of parameterization based on meteorological parameters for calculation of dry deposition of S and N compounds to building materials are simulated and computer programme was developed to make it more convenient, fast and useful. The deposition velocity of SO2, HNO3, SO42- and NO3- obtained by current parameterization method are in the reported range. Dry deposition fluxes obtained by the current parameterization method and direct measurements are in the range.

  17. A Mechanistic Approach to Predicting Colloid Deposition onto Representative Aquifer Materials and Solution Chemistries in the Presence of an Energy Barrier

    NASA Astrophysics Data System (ADS)

    Trauscht, J. S.; Pazmino, E. F.; Johnson, W. P.

    2014-12-01

    Despite several decades of research we lack a mechanistic theory to predict deposition in porous media in the presence of colloid-collector repulsion (unfavorable conditions). Recently, mechanistic models have been developed that incorporate nanoscale surface heterogeneity in colloid-collector interactions. Comparisons of simulations to experimental data allows backing out a representative heterogeneity for the surface, which to date has been reported only for silica. Colloid deposition onto a variety of representative aquifer materials expected to be unfavorable under environmental conditions (quartz, muscovite and albite) was observed for 0.25, 1.1 and 1.95 μm carboxylate-modified latex microspheres using an impinging jet system. Deposition efficiencies varied in response to changes in collector mineralogy, ionic strength, electrolyte valence and pH. Collector surface charge heterogeneity characteristics (heterodomain size and spatial distribution) were backed out from these experiments via comparison to particle trajectory simulations incorporating discrete nano-scale attractive domains (heterodomains). A bi-modal distribution (1:4, ratio of large to small heterodomains) of 120nm and 60nm heterodomains was found to quantitatively predict retention for all three colloid sizes for a given surface. Varying the surface coverage of heterodomains allowed a characteristic coverage for each observed collector surface to be determined. This developing catalog of surface characteristics will aid prediction of colloid transport and deposition under environmentally relevant conditions (aquifer material composition and groundwater chemistry).

  18. Kinetics and {sup 13}C NMR study of oxygen incorporation into PVC- and pitch-derived materials

    SciTech Connect

    Gisele F. Altoe; Jair C.C. Freitas; Alfredo G. Cunha; Francisco G. Emmerich; Mark E. Smith

    2009-03-15

    The kinetics of oxygen incorporation into a PVC-derived material with pitch-like characteristics was studied by isothermal thermogravimetric analysis at temperatures ranging from 200 to 270{sup o}C. Activation energy, E{sub a}, pre-exponential factor, A, and rate constants, kT, were obtained from the weight-gain curves recorded during reactions of the material with molecular oxygen, which were analyzed following a kinetic first-order model. The numerical values obtained were E{sub a} = 100.5 kJ/mol and A = 1.6 x 1010 h{sup -1}. The extent of the oxidation at a fixed temperature was monitored by elemental analysis, and the chemical changes in the materials were followed by solid-state {sup 13}C NMR. The study was next extended to the chars obtained from three coal tar pitches with different softening points (55, 85, and 110{sup o}C). Comparisons were then established between the determined kinetic parameters and the chemical/structural aspects and compositions of each analyzed material. 23 refs., 7 figs., 3 tabs,

  19. 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.

  20. Chitosan-derived carbonaceous material for highly efficient adsorption of chromium (VI) from aqueous solution.

    PubMed

    Shen, Feng; Su, Jialei; Zhang, Xiao; Zhang, Keqiang; Qi, Xinhua

    2016-10-01

    A carbonaceous adsorbent for effectively removing Cr(VI) was synthesized by facile hydrothermal carbonization of chitosan (HTC-chitosan). The prepared HTC-chitosan exhibited good stability in acid solution while the amine groups were retained completely after simple and green hydrothermal carbonization treatment. Structure characteristics of the HTC-chitosan as well as its adsorption behaviors for Cr(VI) in aqueous solution were investigated. Under optimal conditions, the adsorption capacity of the HTC-chitosan for Cr(VI) reached as high as 388.60mgg(-1), which was much higher than that of other materials reported previously. The prepared HTC-chitosan adsorbent could be reused at least five times with adsorption efficiency more than 92%. These results indicate that HTC-chitosan exhibited great superiority for Cr(VI) adsoption from aqueous solution both in terms of the preparation process and adsorption performance. PMID:27259645

  1. 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…

  2. Structural characterization of complex O-linked glycans from insect-derived material.

    PubMed

    Garenaux, Estelle; Maes, Emmanuel; Levêque, S; Brassart, Colette; Guerardel, Yann

    2011-07-01

    Although insects are among the most diverse groups of the animal kingdom and may be found in nearly all environments, one can observe an obvious lack of structural data on their glycosylation ability. Hymenoptera is the second largest of all insect orders with more than 110,000 identified species and includes the most famous examples of social insects' species such as wasps, bees and ants. In this report, the structural variety of O-glycans has been studied in two Hymenoptera species. In a previous study, we showed that major O-glycans from common wasp (Vespula germanica) salivary mucins correspond to T and Tn antigen, eventually substituted by phosphoethanolamine or phosphate groups. More detailed structural analysis performed by mass spectrometry revealed numerous minor O-glycan structures bearing Gal, GlcNAc, GalNAc and Fuc residues. Thus, in order to investigate glycosylation diversity in insects, we used common wasp nest (V. germanica) and hornet nest (Vespa cabro) as starting materials. These materials were submitted to reductive β-elimination and the released oligosaccharide-alditols further fractionated by multidimensional HPLC. Tandem mass spectrometry analyses combined with NMR data revealed the presence of various families of complex O-glycans differing accordingly to both core structures and external motifs. Glycans from wasp were characterized by the presence of core types 1 and 2, Lewis X and internal Gal-Gal motifs. We also observed unusual O-glycans containing a reducing GalNAc unit directly substituted by a fucose residue. In contrast, hornet O-glycans appeared as a rather homogeneous family of core 1 type O-glycans extended by galactose oligomers. PMID:21536259

  3. Graphene Oxide Derived Carbons (GODC); High-Surface Area NanoPorous Materials for Hydrogen Storage and Carbon Capture

    NASA Astrophysics Data System (ADS)

    Yildirim, Taner

    2012-02-01

    Even though there has been extensive research on gas adsorption properties of various carbon materials based on activated carbon and nanotubes, there has been little work done on the gas adsorption properties of graphite oxide (GO). In this study [1], we show that one-and-a-half-century-old graphite oxide can be easily turned into a potentially useful gas storage material. In order to create high-surface nanoporous materials from GO, we used two different approaches. In the first approach, we have successfully synthesized graphene-oxide framework materials (GOFs) by interlinking GO layers by diboronic acids. The resulting GOF materials have well defined pore size and BET surface area up to 500 m2/g with twice larger heat of adsorption of H2 and CO2 than those found in other physisorption materials such as MOF5. In the second approach, we synthesized a range of high surface area GO derived carbons (GODC) and studied their applications toward H2, CO2 and CH4 gas storage. The GODCs, with wide range of pore structure, have been prepared by chemical activation with potassium hydroxide (KOH). We obtain largely increased surface areas up to nearly 1900 m^2/g for GODC samples from 10 m^2/g for initial GO. A detailed experimental study of high pressure excess sorption isotherms on GODCs reveal an increase in both CO2 and CH4 storage capacities compared to other high surface area activated carbons. Finally, we compared the gas sorption properties of our GO-based matarials with other systems such as MOFs, ZIFs, and COFs. [4pt] [1] See http://www.ncnr.nist.gov/staff/taner for references and more information.

  4. Catalysis in service of main group chemistry offers a versatile approach to p-block molecules and materials

    NASA Astrophysics Data System (ADS)

    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.

  5. 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

  6. 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.

  7. Beef- and bovine-derived material identification in processed and unprocessed food and feed by PCR amplification.

    PubMed

    Calvo, Jorge H; Rodellar, Clementina; Zaragoza, Pilar; Osta, Rosario

    2002-09-11

    This research developed and evaluated a PCR procedure to detect beef in heated and unheated meat, sausages, and canned food, using a specific and sensitive method. To confirm the effectiveness and specificity of this fragment, we tested 45 cattle blood DNA samples (from different breeds) and obtained positive results. With 125 samples tested from other species, the specific beef amplification was not detected. Feed components intended for cattle nutrition were also checked, and bovine-derived material was detected. Using this method we can detect the degree of contamination up to 0.01% raw beef in pork. In the same way, 1% beef was detected in cooked meat mixtures and bovine-derived material in concentrate mixtures. Beef has been identified in both heated and unheated meat products, sausages, canned food, and hamburgers. In conclusion, specific PCR amplification of a repetitive DNA element seems to be a powerful technique for the identification of beef in processed and unprocessed food, because of its simplicity, specificity and sensitivity. Furthermore, feed components intended for cattle nutrition can be checked. The procedure is also much cheaper than other methods based on RFLPs-PCR, immunodiffusion, and other techniques that need expensive equipment. PMID:12207458

  8. 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.

  9. The importance of parent material information derived from globally available small scale legacy data for soil mapping at medium scale

    NASA Astrophysics Data System (ADS)

    Schuler, U.; Bock, M.; Günther, A.; Willer, J.; Pickert, E.; Asch, K.; Baritz, R.

    2012-04-01

    Up to now, harmonized global soil information is solely available from the FAO-Unesco Soil map of the world at 1:5M scale (FAO-Unesco 1974-1981). However, for monitoring global environmental changes and sustainable land resource management, higher resolution soil maps are urgently needed. At the global scale, the soil forming factors climate, soil parent material (SPM) and topography can be considered the most important parameters for spatial prediction of soil associations and their properties. While topographic and climatic information is available at high spatial resolutions, SPM information can only be derived from small-scale geological maps or soil maps. The objective of this study is to investigate the potential of commonly available SPM data derived from small scale soil and geological maps for soil mapping at the 1:250k scale. The study was conducted for a test site in Southern Saxony, Germany, 140*85 km wide, representing diverse soil landscapes. Additionally, SPM maps were derived from a reclassification of the geological overview map of Germany at 1:1M scale, and the European Soil database. The proposed SPM classification, developed in the framework of the EU-FP7 eSOTER project, is based on the degree of SPM consolidation, its geochemical character, and the major bedrock types. In addition, SPM-related surface processes are characterized since SPM is defined here as the original lithological material before the onset of weathering and soil formation processes. To assess the potential of SPM data for the spatial delineation of soil associations, random forest-based predictions of soils and its properties were carried out using relief attributes from digital elevation model data. Model runs were performed (i) with and (ii) without spatial information on SPM properties. The outputs were compared with independent soil information of model validation areas. Training and validation point data was selected from a comprehensive dataset representing more than 14

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. Electron paramagnetic resonance analyses of surface radical chemistries of gamma-sterilized orthopedic materials: implications pointing to cytotoxicity via wear debris-induced inflammation.

    PubMed

    DiCicco, Michael; Compton, Ryan; Duong, Thanh; Jansen-Varnum, Susan A

    2005-10-01

    In this research, electron paramagnetic resonance (EPR) spin-trapping was utilized to determine if surface radical chemistries occur for gamma (gamma)-sterilized orthopedic materials-ultra-high molecular weight polyethylene (UHMWPE) and the novel, hybrid, diurethane dimethacrylate (DUDMA)-based RHAKOSS. The materials' ability to competitively chelate catalytic ferrous ions (Fe(2+)) or readily reduce ferric ions (Fe(3+)), and hydrogen peroxide (H(2)O(2)) directly, in facilitating the Fenton reaction (FR), is indicative of cytotoxicity. Validations with a radical scavenger aids to confirm a radical mechanism. In conjunction, materials were thermally annealed and characterized by attenuated total reflectance-Fourier-transform infrared (ATR-FTIR) spectroscopy in order to explore accelerated oxidative degradation induced by residual radicals evolving from gamma-sterilization. Particularly, there was a significant decrease in spin-adduct peak areas obtained from the reduction of H(2)O(2) in the presence of RHAKOSS or UHMWPE, evaluated against their respective controls. Additionally, chelated Fe(2+) accelerated the rate of FR. This phenomenon suggests that the materials are not better chelators than the Fe-activating chelator, edta. Neither material had the propensity to readily reduce Fe(3+) to the relevant Fe(2+), as certified by a nonradical mechanism. Alternatively, the false spin-adduct signal acquired when chelated Fe(3+) is employed arises via the nucleophilic addition of water onto the DMPO spin trap. Residual radicals in UHMWPE did not recombine/terminate following thermal annealing in an inert atmosphere. The radicals in RHAKOSS, however, did recombine under mild heating in an oxidizing or inert atmosphere. Both materials displayed quenching of ( )OH; however, for UHMWPE, this mechanism was jointly accountable for its accelerated degradation, evidenced by ATR-FTIR. Quenching of ( )OH by the silica found in RHAKOSS manifested in a competing effect that

  16. 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.

  17. 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. PMID:25445514

  18. Performance evaluation of poly 3-(phenylthiophene) derivatives as active materials for electrochemical capacitor applications

    SciTech Connect

    Ferraris, J.P.; Eissa, M.M.; Brotherston, I.D.; Loveday, D.C.

    1998-11-01

    Electroactive polymers from 3-(4-fluorophenyl)thiophene, 3-(4-cyanophenyl)thiophene, 3-(4-methylsulfonylphenyl)thiophene, and 3-(3,4-difluorophenyl)thiophene were electrochemically deposited onto carbon paper electrodes from tetramethylammonium trifluoromethane-sulfonate (Me{sub 4}NCF{sub 3}SO{sub 3})/acetonitrile and/or tetraethylammonium tetrafluoroborate/acetonitrile electrolyte solutions. The morphologies and electrochemical performance of the films were shown to depend on both the growth and cycling electrolytes. Constant current multicycle tests were performed on model single-cell devices using the type III capacitor configuration at high voltage (2.8--2.9 V). Active material energy and power densities of up to 50 Wh/kg and 5 kW/kg were achieved at discharge rates of 50 and 10 mA/cm{sup 2}, respectively. The long-term stabilities (up to 1000 cycles) of these polymers were investigated by repeated charging and discharging using cyclic voltammetry in both the p- and n-doping regimes.

  19. 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.

  20. Direct micromechanics derivation and DEM confirmation of the elastic moduli of isotropic particulate materials:. Part II Particle rotation

    NASA Astrophysics Data System (ADS)

    Fleischmann, J. A.; Drugan, W. J.; Plesha, M. E.

    2013-07-01

    In Part I, Fleischmann et al. (2013), we performed theoretical analyses of three cubic packings of uniform spheres (simple, body-centered, and face-centered) assuming no particle rotation, employed these results to derive the effective elastic moduli for a statistically isotropic particulate material, and assessed these results by performing numerical discrete element method (DEM) simulations with particle rotations prohibited. In this second part, we explore the effect that particle rotation has on the overall elastic moduli of a statistically isotropic particulate material. We do this both theoretically, by re-analyzing the elementary cells of the three cubic packings with particle rotation allowed, which leads to the introduction of an internal parameter to measure zero-energy rotations at the local level, and numerically via DEM simulations in which particle rotation is unrestrained. We find that the effects of particle rotation cannot be neglected. For unrestrained particle rotation, we find that the self-consistent homogenization assumption applied to the locally body-centered cubic packing incorporating particle rotation effects most accurately predicts the measured values of the overall elastic moduli obtained from the DEM simulations, in particular Poisson's ratio. Our new self-consistent results and theoretical modeling of particle rotation effects together lead to significantly better theoretical predictions of Poisson's ratio than all prior published results. Moreover, our results are based on a direct micromechanics analysis of specific geometrical packings of uniform spheres, in contrast to prior theoretical analyses based on hypotheses involving overall inter-particle contact distributions. Thus, our results permit a direct assessment of the reasons for the theory-experiment discrepancies noted in the literature with regard to previous theoretical derivations of the macroscopic elastic moduli for particulate materials, and our new theoretical results

  1. 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

  2. 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. PMID:26914698

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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).

  8. Exploring natural product chemistry and biology with multicomponent reactions. 5. Discovery of a novel tubulin-targeting scaffold derived from the rigidin family of marine alkaloids.

    PubMed

    Frolova, Liliya V; Magedov, Igor V; Romero, Anntherese E; Karki, Menuka; Otero, Isaiah; Hayden, Kathryn; Evdokimov, Nikolai M; Banuls, Laetitia Moreno Y; Rastogi, Shiva K; Smith, W Ross; Lu, Shi-Long; Kiss, Robert; Shuster, Charles B; Hamel, Ernest; Betancourt, Tania; Rogelj, Snezna; Kornienko, Alexander

    2013-09-12

    We developed synthetic chemistry to access the marine alkaloid rigidins and over 40 synthetic analogues based on the 7-deazaxanthine, 7-deazaadenine, 7-deazapurine, and 7-deazahypoxanthine skeletons. Analogues based on the 7-deazahypoxanthine skeleton exhibited nanomolar potencies against cell lines representing cancers with dismal prognoses, tumor metastases, and multidrug resistant cells. Studies aimed at elucidating the mode(s) of action of the 7-deazahypoxanthines in cancer cells revealed that they inhibited in vitro tubulin polymerization and disorganized microtubules in live HeLa cells. Experiments evaluating the effects of the 7-deazahypoxanthines on the binding of [(3)H]colchicine to tubulin identified the colchicine site on tubulin as the most likely target for these compounds in cancer cells. Because many microtubule-targeting compounds are successfully used to fight cancer in the clinic, we believe the new chemical class of antitubulin agents represented by the 7-deazahypoxanthine rigidin analogues have significant potential as new anticancer agents. PMID:23927793

  9. Exploring Natural Product Chemistry and Biology with Multicomponent Reactions. 5. Discovery of a Novel Tubulin-Targeting Scaffold Derived from the Rigidin Family of Marine Alkaloids

    PubMed Central

    Frolova, Liliya V.; Magedov, Igor V.; Romero, Anntherese E.; Karki, Menuka; Otero, Isaiah; Hayden, Kathryn; Evdokimov, Nikolai M.; Banuls, Laetitia Moreno Y.; Rastogi, Shiva K.; Smith, W. Ross; Lu, Shi-Long; Kiss, Robert; Shuster, Charles B.; Hamel, Ernest; Betancourt, Tania; Rogelj, Snezna; Kornienko, Alexander

    2014-01-01

    We developed synthetic chemistry to access the marine alkaloid rigidins and over forty synthetic analogues based on the 7-deazaxanthine, 7-deazaadenine, 7-deazapurine and 7-deazahypoxanthine skeletons. Analogues based on the 7-deazahypoxanthine skeleton exhibited nanomolar potencies against cell lines representing cancers with dismal prognoses, tumor metastases and multidrug resistant cells. Studies aimed at elucidating the mode(s) of action of the 7-deazahypoxanthines in cancer cells revealed that they inhibited in vitro tubulin polymerization and disorganized microtubules in live HeLa cells. Experiments evaluating the effects of the 7-deazahypoxanthines on the binding of [3H]colchicine to tubulin identified the colchicine site on tubulin as the most likely target for these compounds in cancer cells. Because many microtubule-targeting compounds are successfully used to fight cancer in the clinic, we believe the new chemical class of antitubulin agents represented by the 7-deazahypoxanthine rigidin analogues have significant potential as new anticancer agents. PMID:23927793

  10. SMIP Chemistry Curriculum Guides.

    ERIC Educational Resources Information Center

    Wilkes Coll., Wilkes-Barre, PA.

    Included are most guides for a one-year course in senior high school chemistry. The guides may be interchanged at the teacher's discretion, following any text sequence or course outline. Each guide consists of six sections: (1) an approach, which briefly discusses the unit in terms of background material, pitfalls to be avoided, and suggested…

  11. Evaluating Environmental Chemistry Textbooks.

    ERIC Educational Resources Information Center

    Hites, Ronald A.

    2001-01-01

    A director of the Indiana University Center for Environmental Science Research reviews textbooks on environmental chemistry. Highlights clear writing, intellectual depth, presence of problem sets covering both the qualitative and quantitative aspects of the material, and full coverage of the topics of concern. Discusses the director's own approach…

  12. 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)

  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 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…

  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. 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)

  18. 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)

  19. 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)

  20. 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)

  1. 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)

  2. 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)

  3. 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.

  4. 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. PMID:25952008

  5. 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.

  6. Density functional theory calculations of photophysical properties of linear 2, 7-carbazole derivatives as solar cell materials

    NASA Astrophysics Data System (ADS)

    Liang, Dadong; Liu, Junbo; Kang, Lijuan; Jin, Ruifa; Tang, Shanshan

    2012-04-01

    A theoretical study has been performed to explore the optical and electronic properties on a series of linear 2, 7-carbazole derivative (PCDTBT) by introducing vinyl (v) as linkage and/or benzene (B) as end-capped group for solar cell materials. The PBE0/6-31G(d) method was employed to calculate the frontier molecular orbital (FMO) and energy gap of all derivatives. The values of energy gap change less than 0.28 eV depending on v as linkage and/or B as end-capped group. The absorption spectra was evaluated using the TD-PBE0/6-31 + G(d,p) level on the basis of the optimized geometries. The absorption spectrum has a red shift along with the increasing of molecular chain. The results of ionization potential (IP), electron affinity (EA), and reorganization energy (λ) reveal that, v as linkage and/or B as end-capped group both lead to the increase of charger transfer rates for PCDTBT. Moreover, v as linkage and/or B as end-capped group have slight effects on the stability property of PCDTBT.

  7. 17 CFR 39.42 - Advance notice of material risk-related rule changes by systemically important derivatives...

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... level of risks presented by the systemically important derivatives clearing organization, in accordance... systemically important derivatives clearing organization shall provide notice to the Commission in advance...

  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. Nanostructured Electrode Materials Derived from Metal-Organic Framework Xerogels for High-Energy-Density Asymmetric Supercapacitor.

    PubMed

    Mahmood, Asif; Zou, Ruqiang; Wang, Qingfei; Xia, Wei; Tabassum, Hassina; Qiu, Bin; Zhao, Ruo

    2016-01-27

    This work successfully demonstrates metal-organic framework (MOF) derived strategy to prepare nanoporous carbon (NPC) with or without Fe3O4/Fe nanoparticles by the optimization of calcination temperature as highly active electrode materials for asymmetric supercapacitors (ASC). The nanostructured Fe3O4/Fe/C hybrid shows high specific capacitance of 600 F/g at a current density of 1 A/g and excellent capacitance retention up to 500 F/g at 8 A/g. Furthermore, hierarchically NPC with high surface area also obtained from MOF gels displays excellent electrochemical performance of 272 F/g at 2 mV/s. Considering practical applications, aqueous ASC (aASC) was also assembled, which shows high energy density of 17.496 Wh/kg at the power density of 388.8 W/kg. The high energy density and excellent capacity retention of the developed materials show great promise for the practical utilization of these energy storage devices. PMID:26720405

  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. 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. PMID:25940023

  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. Aspergillus flavus Conidia-derived Carbon/Sulfur Composite as a Cathode Material for High Performance Lithium-Sulfur Battery.

    PubMed

    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 m(2)g(-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

  14. 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)

  15. Chem I Supplement: Archaeological Chemistry.

    ERIC Educational Resources Information Center

    Lambert, Joseph B.

    1983-01-01

    Dating, conservation, prospection, and composition (knowledge of the composition of artifacts of other materials) are four applications of chemistry to archaeology. Examples of the latter application (composition) are discussed, focusing on procedures used and types of information obtained. (JN)

  16. A Touch of Relevant Chemistry.

    ERIC Educational Resources Information Center

    Becker, Ernest I.

    1981-01-01

    Suggests using National Institute for Occupational Safety and Health (NIOSH) criteria documents as a source for special topics material in chemistry. Presents a list of selected NIOSH documents, ordering information, and reviews one document on formaldehyde in some detail. (SK)

  17. Part 7: Environmental Chemistry, Revised.

    ERIC Educational Resources Information Center

    Douville, Judith A.

    2003-01-01

    Discusses resources on applied/interdisciplinary areas of chemistry available as books and electronic materials that mostly target graduate students, faculty, and chemists in the industry. (Author/YDS)

  18. 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).

  19. 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).

  20. 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

  1. 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.

  2. Organorhenium surface and catalytic chemistry: silica-supported alkene metathesis catalysts derived from dodecacarbonyltetrakis(. mu. -hydrido)-tetrahedro-tetrarhenium and tetrakis(tricarbonyl(. mu. -hydroxo)rhenium)

    SciTech Connect

    Kirlin, P.S.; Gates, B.C.

    1985-11-06

    Silica-supported (Re(CO)/sub 3/OH)/sub 4/ was formed by direct deposition from solution and, alternatively, by reaction of (H/sub 4/Re/sub 4/(CO)/sub 12/) with adsorbed water, as shown by comparisons of infrared, ultraviolet, and /sup 1/H NMR spectra of the surface and of the complex extracted into tetrahydrofuran. The supported (Re(CO)/sub 3/OH)/sub 4/ is inferred to be hydrogen bonded to surface -OH groups; its chemistry is similar to that of (Re(CO)/sub 3/OH)/sub 4/ in solution, but new reactivity is induced by the surface, with adsorbed (HRe/sub 3/(CO)/sub 14/) being formed from (Re(CO)/sub 3/OH)/sub 4/ (or (H/sub 3/Re/sub 3/(CO)/sub 12/)) in the presence of CO at 150/sup 0/C. The supported (Re(CO)/sub 3/OH)/sub 4/ is the precursor of a highly active and stable catalyst for the metathesis of propene: the activity is associated with a small fraction of the rhenium in a higher oxidation state. The oxidation to form the active species takes place under conditions so mild that more highly oxidized species, which are active for alkene polymerization and coke formation, are not formed, and the catalyst is consequently resistant to deactivation. 38 references, 10 figures, 2 tables.

  3. 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

  4. Let Environmental Chemistry Enrich Your Curriculum.

    ERIC Educational Resources Information Center

    Parravano, Carlo

    1988-01-01

    Describes a one-semester course in environmental chemistry for students who have had a full year of introductory level chemistry. Illustrates how material from this upper-level course was integrated into a general chemistry course. Examples of content are provided. (CW)

  5. 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)

  6. Particle-Phase Chemistry of Secondary Organic Material: Modeled Compared to Measured O:C and H:C Elemental Ratios Provide Constraints

    NASA Astrophysics Data System (ADS)

    Chen, Q.; Liu, Y.; Donahue, N. M.; Shilling, J. E.; Martin, S. T.

    2011-12-01

    Secondary organic material (SOM) produced by the oxidation of biogenic volatile organic compounds is a major global contributor to the mass concentrations of organic components of atmospheric particles. Chemical mechanisms of SOM production are typically developed in focused laboratory studies but widely used in the complex modeling context of the atmosphere. Given this extrapolation, it is crucial to use multidimensional data constraints for testing the accuracy of the chemical mechanisms. Particle mass yield is a typical standard for model-measurement comparison. Particle composition expressed as O:C and H:C elemental ratios can serve as a higher dimensional constraint. A paradigm that uses the two constraints is presented in this study for SOM production from an important C5-C10-C15 terpene sequence, namely isoprene, α-pinene, and β-caryopyhllene. The model MCM-SIMPOL is introduced based on the Master Chemical Mechanism (MCM v3.2) and a group contribution method for vapor pressures (SIMPOL). The O:C and H:C ratios of the SOM are measured using an Aerosol Mass Spectrometer (AMS). Detailed SOM-specific AMS calibrations indicate that published O:C and H:C ratios for SOM are systematically too low. Overall, the measurement-model gap was small for particle mass yield but significant for particle-average elemental composition. The implication is that a key chemical pathway is missing from the chemical mechanism. The data can be explained by the particle-phase homolytic decomposition of organic hydroperoxides and subsequent alkyl-radical-promoted oligomerization. For climate-related modeling such as the aerosol direct effect, mass-based modeling is the norm. In this regard, the model might be concluded as acceptably accurate based on the one-dimensional model-measurement comparison on yield; yet, the further analysis proves that the model mechanism is missing important particle-phase chemistry that possibly controls the physical properties of the particles.

  7. 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, III; 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.

  8. Macrophage Phenotype as a Predictor of Constructive Remodeling following the Implantation of Biologically Derived Surgical Mesh Materials

    PubMed Central

    Brown, Bryan N.; Londono, Ricardo; Tottey, Stephen; Zhang, Li; Kukla, Kathryn A.; Wolf, Matthew T.; Daly, Kerry A.; Reing, Janet E.; Badylak, Stephen F.

    2015-01-01

    Macrophages have been classified as having plastic phenotypes which exist within a spectrum between M1 (classically activated; pro-inflammatory) and M2 (alternatively activated; regulatory, homeostatic). To date, the effects of polarization towards a predominantly M1 or M2 phenotype have been studied largely in the context of response to pathogen or cancer. Recently, M1 and M2 macrophages have been shown to play distinct roles in tissue remodeling following injury. In the present study, the M1/M2 paradigm was utilized to examine the role of macrophages in the remodeling process following implantation of 14 biologically derived surgical mesh materials in the rat abdominal wall. In situ polarization of macrophages responding to the materials was examined and correlated to a quantitative measure of the observed tissue remodeling response to determine whether macrophage polarization is an accurate predictor of the ability of a biologic scaffold to promote constructive tissue remodeling. Additionally the ability of M1 and M2 macrophages to differentially recruit progenitor-like cells in vitro, which are commonly observed to participate in the remodeling of those ECM scaffolds which have a positive clinical outcome, was examined as a possible mechanism underlying the differences in the observed remodeling responses. The results of the present study show that there is a strong correlation between the early macrophage response to implanted materials and the outcome of tissue remodeling. Increased numbers of M2 macrophages and higher ratios of M2:M1 macrophages within the site of remodeling at 14 days were associated with more positive remodeling outcomes (r2=0.525–0.686, p<0.05). Further, the results of the present study suggest that the constructive remodeling outcome may be due to the recruitment and survival of different cell populations to the sites of remodeling associated with materials that elicit an M1 versus M2 response. Both M2 and M0 macrophage conditioned

  9. High-purity radionuclide production: material, construction, target chemistry for 26Al, 97Ru, 178W, 235Np, 236,237Pu

    NASA Astrophysics Data System (ADS)

    Dmitriev, S. N.; Zaitseva, N. G.; Starodub, G. Ya.; Maslov, O. D.; Shishkin, S. V.; Shishkina, T. V.; Buklanov, G. V.; Sabelnikov, A. V.

    1997-02-01

    The work on isotopically pure 26Al, 97Ru, 178W/ 178Ta, 235Np, 236Pu and 237Pu production was initiated because of intensive research on their applications in the biomedical field and environmental chemistry. The conditions for isotopically pure production have been investigated. This paper describes the data for the nuclear reactions of the radionuclide production, the different target designs and target chemistry procedures.

  10. 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

  11. 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

  12. Synthesis and photophysical properties of 1,2-diphenylindolizine derivatives: fluorescent blue-emitting materials for organic light-emitting device.

    PubMed

    Song, Yeong Ran; Lim, Choon Woo; Kim, Tae Woo

    2016-03-01

    New blue-emitting materials based on 1,2-diphenylindolizine were designed and synthesized through a microwave-assisted Suzuki coupling reaction. The photophysical, electrochemical, and thermal properties of the 1,2-diphenylindolizine derivatives were investigated using UV-visible and fluorescence spectroscopy, cyclic voltammetry, thermogravimetric analysis, and differential scanning calorimetry. The 1,2-diphenylindolizine derivatives had band gaps of 3.1-3.4 eV and indicated proper emission of around 450 nm without significant difference between in solution and thin solid film. The indolizine derivatives show an enhanced thermal stability (∆Tm  > 100 °C), compared with 1,2-diphenylindolizine. These results suggest the 1,2-diphenylindolizine derivatives are suitable for blue-emitting materials in organic light-emitting devices. Copyright © 2015 John Wiley & Sons, Ltd. PMID:26192394

  13. Laser Chemistry: Nanoporous Carbons Derived from Metal-Organic Frameworks as Novel Matrices for Surface-Assisted Laser Desorption/Ionization Mass Spectrometry (Small 15/2016).

    PubMed

    Shih, Yung-Han; Fu, Chien-Ping; Liu, Wan-Ling; Lin, Chia-Her; Huang, Hsi-Ya; Ma, Shengqian

    2016-04-01

    On page 2057, a Lewis acid porous carbon material with tunable hydrophilicity is prepared by temperature controlled pyrolysis of Al based metal-organic frameworks, by C.-H. Lin, H.-Y. Huang, S. Ma, and co-workers. This porous carbon highlights its low heat capacity, and high water uptake, which acts as efficient laser-absorbing matrix/sorbent for detecting trace levels of target compounds. PMID:27076045

  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, 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)

  16. 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…

  17. 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)

  18. 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…

  19. 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)

  20. Novel hole transporting materials based on 4-(9H-carbazol-9-yl)triphenylamine derivatives for OLEDs.

    PubMed

    Nguyen, Quynh Pham Bao; Baek, Sueng Ji; Kim, Mi Jin; Shin, Na Young; Kim, Gyeong Woo; Choe, Dong Cheol; Kwon, Jang Hyuk; Chai, Kyu Yun

    2014-01-01

    During the past few years, organic light emitting diodes (OLEDs) have been increasingly studied due to their emerging applicability. However, some of the properties of existing OLEDs could be improved, such as their overall efficiency and durability; these aspects have been addressed in the current study. A series of novel hole-transporting materials (HTMs) 3a-c based on 4-(9H-carbazol-9-yl)triphenylamine conjugated with different carbazole or triphenylamine derivatives have been readily synthesized by Suzuki coupling reactions. The resulting compounds showed good thermal stabilities with high glass transition temperatures between 148 and 165 °C. The introduction of HTMs 3b and 3c into the standard devices ITO/HATCN/NPB/HTMs 3 (indium tin oxide/dipyrazino(2,3-f:2',3'-h)quinoxaline 2,3,6,7,10,11-hexacarbonitrile/N,N'-bis(naphthalen-1-yl)-N,N'-bis(phenyl)-benzidine/HTMs)/CBP (4,4'-Bis(N-carbazolyl)-1,1'-biphenyl): 5% Ir(ppy)3/Bphen/LiF/Al (tris[2-phenylpyridinato-C2,N]iridium(III)/4,7-diphenyl-1,10-phenanthroline/LiF/Al) resulted in significantly enhanced current, power, and external quantum efficiencies (EQE) as compared to the reference device without any layers of HTMs 3. PMID:25211005