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. Materials Chemistry of Nanoultrasonic Biomedicine.

    PubMed

    Tang, Hailin; Zheng, Yuanyi; Chen, Yu

    2017-03-01

    As a special cross-disciplinary research frontier, nanoultrasonic biomedicine refers to the design and synthesis of nanomaterials to solve some critical issues of ultrasound (US)-based biomedicine. The concept of nanoultrasonic biomedicine can also overcome the drawbacks of traditional microbubbles and promote the generation of novel US-based contrast agents or synergistic agents for US theranostics. Here, we discuss the recent developments of material chemistry in advancing the nanoultrasonic biomedicine for diverse US-based bio-applications. We initially introduce the design principles of novel nanoplatforms for serving the nanoultrasonic biomedicine, from the viewpoint of synthetic material chemistry. Based on these principles and diverse US-based bio-application backgrounds, the representative proof-of-concept paradigms on this topic are clarified in detail, including nanodroplet vaporization for intelligent/responsive US imaging, multifunctional nano-contrast agents for US-based multi-modality imaging, activatable synergistic agents for US-based therapy, US-triggered on-demand drug releasing, US-enhanced gene transfection, US-based synergistic therapy on combating the cancer and potential toxicity issue of screening various nanosystems suitable for nanoultrasonic biomedicine. It is highly expected that this novel nanoultrasonic biomedicine and corresponding high performance in US imaging and therapy can significantly promote the generation of new sub-discipline of US-based biomedicine by rationally integrating material chemistry and theranostic nanomedicine with clinical US-based biomedicine.

  4. 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.

  5. 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.

  6. 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)

  7. 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

  8. Medicinal Chemistry Perspective of Fused Isoxazole Derivatives.

    PubMed

    Barmade, Mahesh A; Murumkar, Prashant R; Sharma, Mayank Kumar; Yadav, Mange Ram

    2016-01-01

    Nitrogen containing heterocyclic rings with an oxygen atom is considered as one of the best combination in medicinal chemistry due to their diversified biological activities. Isoxazole, a five membered heterocyclic azole ring is found in naturally occuring ibetonic acid along with some of the marketed drugs such as valdecoxib, flucloxacillin, cloxacillin, dicloxacillin, and danazol. It is also significant for showing antipsychotic activity in risperidone and anticonvulsant activity in zonisamide, the marketed drugs. This review article covers research articles reported till date covering biological activity along with SAR of fused isoxazole derivatives.

  9. Materials chemistry: Cooperative carbon capture

    NASA Astrophysics Data System (ADS)

    Cooper, Andrew I.

    2015-03-01

    Enzymes bind carbon dioxide from the atmosphere in a highly precise way, whereas synthetic materials just passively adsorb it. Or do they? A study of compounds called metal-organic frameworks now challenges this picture. See Article p.303

  10. Flow chemistry meets advanced functional materials.

    PubMed

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

    2014-09-22

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

  11. 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.

  12. 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

  13. Calcifying tissue regeneration via biomimetic materials chemistry.

    PubMed

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

    2014-12-06

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

  14. 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.

  15. 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.

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

    ERIC Educational Resources Information Center

    Wray, Thomas K.; Enholm, Eric J.

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

  17. Polyoxometalates: from inorganic chemistry to materials science.

    PubMed

    Casañ-Pastor, Nieves; Gómez-Romero, Pedro

    2004-05-01

    Polyoxometalates have been traditionally the subject of study of molecular inorganic chemistry. Yet, these polynuclear molecules, reminiscent of oxide clusters, present a wide range of structures and with them ideal frameworks for the deployment of a plethora of useful magnetic, electroionic, catalytic, bioactive and photochemical properties. With this in mind, a new trend towards the application of these remarkable species in materials science is beginning to develop. In this review we analyze this trend and discuss two main lines of thought for the application of polyoxometalates as materials. On the one hand, there is their use as clusters with inherently useful properties on themselves, a line which has produced fundamental studies of their magnetic, electronic or photoelectrochemical properties and has shown these clusters as models for quantum-sized oxides. On the other hand, the encapsulation or integration of polyoxometalates into organic, polymeric or inorganic matrices or substrates opens a whole new field within the area of hybrid materials for harnessing the multifunctional properties of these versatile species in a wide variety of applications, ranging from catalysis to energy storage to biomedicine.

  18. Quantum chemistry study of dielectric materials deposition

    NASA Astrophysics Data System (ADS)

    Widjaja, Yuniarto

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

  19. Materials: Bringing Relevance to Chemistry and Physics Education

    NASA Astrophysics Data System (ADS)

    Whittingham, M. Stanley

    1997-03-01

    In 1988 Binghamton started to integrate materials throughout the "chemistry" curriculum. A one semester general chemistry course, that is required of physics, engineering and geology majors was first restructured so that the middle one-third of the course emphasized materials, both inorganic and organic (NSF 90-60). It's aim was to involve students in today's science in both lecture and

  20. 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.

  1. Structures and Crystal Chemistry of Layered Materials

    NASA Astrophysics Data System (ADS)

    Partin, Daniel Edward

    The crystal chemistry of several layered materials has been explored using a variety of methods, with an emphasis on their structural aspects. In the second part of this work, the structure of several copper oxides that are of significance to the study of superconductors are described. The crystal structures of MgCl_2 and CdCl_2 have been refined using powder X-ray diffraction data. They have the space group Roverline{3}m. For magnesium chloride the unit cell constants are a = 3.6363(1) A, c = 17.6663(5) A. For cadmium chloride they are a = 3.8459(1) A, c = 17.4931(4) A. The structures and their relationship to that of fluorite are discussed within the framework of a Born-Mayer model. The crystal structure of Mg(OD)_2 has been refined from time-of flight (TOF) neutron diffraction data and found to be trigonal, Poverline {3}m1, a = 3.1455(1) A, c = 4.7646(3) A. The data were collected at 305 K. The O-D bond length is 0.937 (1) A (corrected for "riding" motion 0.948 A). An infrared/Raman study of Mg(OH)_2 was conducted in a diamond anvil cell in the pressure range from room pressure up to 7 Gpa. For layered crystals, it was found that as the internally fixed layers are moved apart the Madelung energy of the system becomes constant after a very short distance, although not necessarily that of the given crystal's energy at ambient conditions. The crystal structure of Sr(OD)_2 has been refined from time-of-flight neutron diffraction data and the deuterium positions found. Strontium deuteroxide crystallizes in the space group Pnma, with the unit cell constants of a = 9.8269(5) A, b = 3.9051(2) A, and c = 6.0733(3) A. The crystal structures of SrCuO_2 and Sr_2CuO_3 have been refined by time-of-flight neutron diffraction. For SrCuO_2 the space group is Cmcm, a = 3.57002(2), b = 16.32268(8), c = 3.91100(2); for Sr _2CuO_3 the space group is Immm, a = 3.49900(5), b = 12.7009(2), c = 3.91120(5). In both structures the strontium atoms are coordinated by seven oxygen atoms

  2. 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.

  3. 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…

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

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

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

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

    NASA Astrophysics Data System (ADS)

    O'Brien, Janese Christine

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

  6. 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.

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

    SciTech Connect

    O'Brien, Janese C.

    2000-09-21

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

  8. 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…

  9. Hybrid materials chemistry: Spectroscopic studies of molecular materials, nanoscale materials and their combinations

    NASA Astrophysics Data System (ADS)

    Marlatt, Craig W.

    Materials chemistry is a widely-used label within the overall field of chemistry, with a diverse range of possible applications. In this report, two classes of materials are discussed. Host-guest molecular systems that operate under supramolecular principles are examined via Raman spectroscopy and electrochemistry, and a sensing application for such systems is offered in the proof-of-principle detection of nitroaromatic explosives via host-guest binding. Next, metallic nanostructures that have tunable optical properties are synthesized and characterized to demonstrate that tunable nature, and the way such structures might be used for surface-enhanced Raman studies of the previously described host-guest systems is discussed by examining the current literature. Lastly, strategies to couple molecular systems and nanostructure systems are discussed and developed, and speculation on possible applications utilizing these coupled systems is made based on recent literature and the established themes of the research in this report.

  10. 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.

  11. 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)

  12. 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…

  13. Surface chemistry and catalysis confined under two-dimensional materials.

    PubMed

    Fu, Qiang; Bao, Xinhe

    2016-10-07

    Two-dimensional (2D) materials are characterised by their strong intraplanar bonding but weak interplanar interaction. Interfaces between neighboring 2D layers or between 2D overlayers and substrate surfaces provide intriguing confined spaces for chemical processes, which have stimulated a new area of "chemistry under 2D cover". In particular, well-defined 2D material overlayers such as graphene, hexagonal boron nitride, and transition metal dichalcogenides have been deposited on solid surfaces, which can be used as model systems to understand the new chemistry. In the present review, we first show that many atoms and molecules can intercalate ultrathin 2D materials supported on solid surfaces and the space under the 2D overlayers has been regarded as a 2D nanocontainer. Moreover, chemical reactions such as catalytic reactions, surface adlayer growth, chemical vapor deposition, and electrochemical reactions occur in the 2D confined spaces, which further act as 2D nanoreactors. It has been demonstrated that surface chemistry and catalysis are strongly modulated by the 2D covers, resulting in weakened molecule adsorption and enhanced surface reactions. Finally, we conclude that the confinement effect of the 2D cover leads to new chemistry in a small space, such as "catalysis under cover" and "electrochemistry under cover". These new concepts enable us to design advanced nanocatalysts encapsulated with 2D material shells which may present improved performance in many important processes of heterogeneous catalysis, electrochemistry, and energy conversion.

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

    SciTech Connect

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

    1991-12-31

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

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

    PubMed

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

    2015-09-07

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

  16. Let Students Derive, by Themselves, Two-Dimensional Atomic and Molecular Quantum Chemistry from Scratch

    ERIC Educational Resources Information Center

    Ge, Yingbin

    2016-01-01

    Hands-on exercises are designed for undergraduate physical chemistry students to derive two-dimensional quantum chemistry from scratch for the H atom and H[subscript 2] molecule, both in the ground state and excited states. By reducing the mathematical complexity of the traditional quantum chemistry teaching, these exercises can be completed…

  17. 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.

  18. Cytocompatibility of Wood-derived Cellulose Nanofibril Hydrogels with Different Surface Chemistry.

    PubMed

    Rashad, Ahmad; Mustafa, Kamal; Heggset, Ellinor Bœvre; Syverud, Kristin

    2017-03-06

    The current study aims to demonstrate the influence of the surface chemistry of wood-derived cellulose nanofibril (CNF) hydrogels on fibroblasts for tissue engineering applications. TEMPO-mediated oxidation or carboxymethylation pretreatments were employed to produce hydrogels with different surface chemistry. This study demonstrates, firstly, the gelation of CNF with cell culture medium and formation of stable hydrogels with improved rheological properties. Secondly, the response of mouse fibroblasts cultured on the surface of the hydrogels or sandwiched within the materials with respect to cytotoxicity, cell attachment, proliferation, morphology and migration. Indirect cytotoxicity tests showed no toxic effect of either hydrogel. The direct contact with the caroxymethylated hydrogel adversely influenced the morphology of the cells and limited their spreading, while typical morphology and spreading of cells was observed with the TEMPO-oxidized hydrogel. The porous fibrous structure may be a key to cell proliferation and migration in the hydrogels.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. Lignin-Derived Advanced Carbon Materials.

    PubMed

    Chatterjee, Sabornie; Saito, Tomonori

    2015-12-07

    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.

  4. 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.

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

    PubMed

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

    2015-01-27

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

  6. 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.

  7. Tooth-derived bone graft material

    PubMed Central

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

    2013-01-01

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

  8. Forensic chemistry.

    PubMed

    Bell, Suzanne

    2009-01-01

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

  9. 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.

  10. Ultrafast electron microscopy in materials science, biology, and chemistry

    SciTech Connect

    King, Wayne E.; Campbell, Geoffrey H.; Frank, Alan; Reed, Bryan; Schmerge, John F.; Siwick, Bradley J.; Stuart, Brent C.; Weber, Peter M.

    2005-06-01

    The use of pump-probe experiments to study complex transient events has been an area of significant interest in materials science, biology, and chemistry. While the emphasis has been on laser pump with laser probe and laser pump with x-ray probe experiments, there is a significant and growing interest in using electrons as probes. Early experiments used electrons for gas-phase diffraction of photostimulated chemical reactions. More recently, scientists are beginning to explore phenomena in the solid state such as phase transformations, twinning, solid-state chemical reactions, radiation damage, and shock propagation. This review focuses on the emerging area of ultrafast electron microscopy (UEM), which comprises ultrafast electron diffraction (UED) and dynamic transmission electron microscopy (DTEM). The topics that are treated include the following: (1) The physics of electrons as an ultrafast probe. This encompasses the propagation dynamics of the electrons (space-charge effect, Child's law, Boersch effect) and extends to relativistic effects. (2) The anatomy of UED and DTEM instruments. This includes discussions of the photoactivated electron gun (also known as photogun or photoelectron gun) at conventional energies (60-200 keV) and extends to MeV beams generated by rf guns. Another critical aspect of the systems is the electron detector. Charge-coupled device cameras and microchannel-plate-based cameras are compared and contrasted. The effect of various physical phenomena on detective quantum efficiency is discussed. (3) Practical aspects of operation. This includes determination of time zero, measurement of pulse-length, and strategies for pulse compression. (4) Current and potential applications in materials science, biology, and chemistry. UEM has the potential to make a significant impact in future science and technology. Understanding of reaction pathways of complex transient phenomena in materials science, biology, and chemistry will provide fundamental

  11. 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.

  12. 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…

  13. Lignin-Derived Advanced Carbon Materials

    DOE PAGES

    Chatterjee, Sabornie; Saito, Tomonori

    2015-11-16

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

  14. Chemistry and Materials Science Directorate 2005 Annual Report

    SciTech Connect

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

    2006-08-08

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

  15. Engineering half-Heusler thermoelectric materials using Zintl chemistry

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

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

    PubMed

    Caballero, Ana; Pérez, Pedro J

    2013-12-07

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

  17. 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.

  18. Phosphatidylcholine Derived Bolaamphiphiles via ‘Click’ Chemistry

    PubMed Central

    O’Neil, Edward J.; DiVittorio, Kristy M.; Smith, Bradley D.

    2010-01-01

    The copper catalyzed azide alkyne cycloaddition is employed to modify phosphatidylcholine precursors with sn-2 acyl chains containing terminal alkyne or azide groups. Although the reactions are conducted as biphasic dispersions, the yields are essentially quantitative. Bolaamphiphiles are formed by simply clicking together two phosphatidylcholine alkyne precursors to a central bisazide scaffold. The chemistry introduces polar 1,4-triazole units into the lipophilic region of the bilayer membrane, and the bolaamphiphiles do not form stable vesicles. PMID:17217264

  19. 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)

  20. 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…

  1. 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.

  2. 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.

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

    SciTech Connect

    Newkirk, L.

    1997-12-01

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

  4. 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.

  5. 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.

  6. 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.

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

    NASA Astrophysics Data System (ADS)

    Banerjee, Joy

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

  8. 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…

  9. 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…

  10. 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

  11. Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.

    PubMed

    Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T; Tortzen, Christian G; Kadziola, Anders; Mikkelsen, Kurt V; Nielsen, Mogens Brøndsted

    2016-02-28

    Here we present the preparation of a selection of azulenium ions by hydride abstraction from photochromic 1,8a-dihydroazulenes (1,8a-DHAs) incorporating two cyano groups at C-1. The reactivity of the electrophilic tropylium ring of these molecules towards lithium triisopropylsilylacetylide was investigated. The position of attack by the nucleophile depended on the substitution pattern of the azulenium cation but was in general found to occur preferentially at positions C-4, C-5, and C-6, and to a minor extent at positions C-7 and C-8. The outcome was a mixture of non-photochromic, regioisomeric DHAs. One of these compounds containing the ethynyl substituent at position C-4 was partly tautomerized to the photochromic 1,8a-dihydroazulene, which was isolated and its switching properties were investigated by UV-Vis absorption spectroscopy. Upon irradiation, it undergoes a ring-opening reaction to form a vinylheptafulvene (VHF), which in turn returns to the original DHA. The half-life of this reaction was significantly smaller than for a derivative with the alkynyl substituent placed at C-7. This fast switching behavior was according to the calculations explained by an enhancement in the stability of the reactive s-cis conformer of the VHF relative to the, still more stable, s-trans conformer, and by a smaller activation energy for this s-cis conformer to undergo ring-closure.

  12. 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.

  13. 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…

  14. Chemistry and materials options of sustainable carbon materials made by hydrothermal carbonization.

    PubMed

    Titirici, Maria-Magdalena; Antonietti, Markus

    2010-01-01

    The production of functional nanostructured materials starting from cheap natural precursors using environmentally friendly processes is a highly attractive subject in material chemistry today. Recently, much attention has been focused on the use of plant biomass to produce functional carbonaceous materials, encompassing economic, environmental and social issues. Besides the classical route to produce activated carbons from agricultural side products, the hydrothermal carbonization (HTC) process shows clear advantages in that it can generate a variety of cheap and sustainable carbonaceous materials with attractive nanostructure and functionalization patterns for a wide range of applications. In this tutorial review we present the latest developments in this traditional but recently invigorated technique. It will be shown that HTC does not only access carbonaceous materials under comparatively mild hydrothermal conditions, but also replaces the more technical and structurally well-defined charring by a controlled chemical process. It will be shown that this makes it possible to tailor the final structure with the tools of colloid and polymer science, leading to very different morphologies with miscellaneous applications, including modern carbon nanocomposites and hybrids.

  15. 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…

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

    NASA Astrophysics Data System (ADS)

    Koehler, Kenneth

    2014-03-01

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

  17. Marihuana-derived material: distribution and effects after systemic administration.

    PubMed

    Green, K; Cheeks, K; Bowman, K A; Hodges, L C; Deutsch, H M; Zalkow, L H

    1984-05-01

    Studies have been made in an attempt to elucidate the mode of action of water-soluble marihuana-derived material (MDM). MDM lowers intraocular pressure (IOP) at systemic dose levels greater than 5 micrograms/rabbit by reducing aqueous humor inflow. Blood pressure, body temperature, and PO2 remain constant despite the wide variation in IOP caused by high dose levels of MDM, viz. an initial hypertensive phase followed by a hypotensive phase. Blood PCO2 and pH, however, both decrease with 1 mg MDM/rabbit indicating an acidosis which may partially explain some of the fall in IOP caused by MDM at this high dose level. Low doses of MDM (50 micrograms/animal), however, induce no such changes in systemic chemistry, illustrating the absence of an MDM effect which can explain the greater than 50% fall in IOP. Repeated injections of MDM on a weekly basis indicate a sequentially reduced effect on IOP. MDM, when incubated in vitro for 6 hours with saline, aqueous or vitreous, always induced a fall in IOP; incubation in these media for 24 hours, however, reduced the capacity to induce an IOP decrease. When aqueous or vitreous was removed from animals which had received intravitreal injections of MDM 24 hours previously (thus, at a time when the IOP in these animals was low) and was reinjected intravitreally into fresh recipient rabbits, the IOP fell in the recipients with aqueous, but not vitreous. Only when high doses of MDM (greater than or equal to 2 mg) were given systemically to a donor rabbit was any evidence obtained of a fall in IOP in recipient rabbits at short times after the donor injection (less than 10 min); at greater times after the donor injections whole blood or serum from donor rabbits failed to elicit a fall in IOP in recipient animals. These data indicate that, in vivo, MDM is bound or metabolized rapidly in rabbits when MDM is given systemically.

  18. Optical limiting materials based on fullerene derivatives

    SciTech Connect

    Prato, Maurizio; Maggini, Michele; Scorrano, Gianfranco; Brusatin, Giovanna; Guglielmi, Massimo; Meneghetti, Moreno; Signorini, Raffaella; Bozio, Renato; Guldi, Dirk M.

    1999-09-30

    A functionalized fulleropyrrolidine has been synthesized and investigated for optical limiting applications. Solid materials have been prepared for optical limiting devices by incorporation in sol-gel glasses. Their nonlinear transmission properties have been measured and found comparable with those of solution samples. We show that clustering of the fullerene spheres, which might affect the optical limiting properties, is not relevant. Multilayer structures following a bottleneck design are prepared and their NL transmission properties are characterized. (c) 1999 American Institute of Physics.

  19. The chemistry and biological activity of heterocycle-fused quinolinone derivatives: A review.

    PubMed

    Shiro, Tomoya; Fukaya, Takayuki; Tobe, Masanori

    2015-06-05

    Among all heterocycles, the heterocycle-fused quinolinone scaffold is one of the privileged structures in drug discovery as heterocycle-fused quinolinone derivatives exhibit various biological activities allowing them to act as anti-inflammatory, anticancer, antidiabetic, and antipsychotic agents. This wide spectrum of biological activity has attracted a great deal of attention in the field of medicinal chemistry. In this review, we provide a comprehensive description of the biological and pharmacological properties of various heterocycle-fused quinolinone scaffolds and discuss the synthetic methods of some of their derivatives.

  20. Thiazole: A Review on Chemistry, Synthesis and Therapeutic Importance of its Derivatives.

    PubMed

    Chhabria, Mahesh T; Patel, Shivani; Modi, Palmi; Brahmkshatriya, Pathik S

    2016-01-01

    Thiazole, a unique heterocycle containing sulphur and nitrogen atoms, occupies an important place in medicinal chemistry. It is an essential core scaffold present in many natural (Vitamin B1- Thiamine) and synthetic medicinally important compounds. The versatility of thiazole nucleus demonstrated by the fact that it is an essential part of penicillin nucleus and some of its derivatives which have shown antimicrobial (sulfazole), antiretroviral (ritonavir), antifungal (abafungin), antihistaminic and antithyroid activities. The synthetic importance of thiazole derivatives, its reduced forms and condensed derivatives have been increased much by their recent applications as anticancer (tiazofurin), anthelmintic, vulcanising accelerators (mercaptobenzothiazole) and photographic sensitizers. Thiazole chemistry has developed steadily after the pioneering work of Hofmann and Hantsch. Bogert and co-workers made significant contribution to expand this field. Mills established the importance of thiazole ring in cyanine dyes which is used as photographic sensitizer. Benzothiazole, a fused derivative of thiazole have also proved its commercial value. Present review describes chemical and biological importance of thiazole and its condensed derivatives with an emphasis on recent developments.

  1. 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.

  2. 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.

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

    PubMed

    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.

  4. 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

  5. Diagnostics for the Analysis of Surface Chemistry Effects on Composite Energetic Material Reactions

    DTIC Science & Technology

    2015-10-30

    heat flow and phase change allowing chemical kinetic modeling of surface chemistry using an advanced DSC – TGA via simultaneous thermal analysis (STA...allowing chemical kinetic modeling of surface chemistry using an advanced DSC – TGA via simultaneous thermal analysis (STA). This diagnostic couples...2.00 4.00 Evan Vargas, Michelle L. Pantoya, Mohammed A Saed, Brandon L Weeks. Advanced Susceptors for Microwave Heating of Energetic Materials

  6. 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…

  7. 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.

  8. 2-Methyltetrahydrofuran (2-MeTHF): a biomass-derived solvent with broad application in organic chemistry.

    PubMed

    Pace, Vittorio; Hoyos, Pilar; Castoldi, Laura; Domínguez de María, Pablo; Alcántara, Andrés R

    2012-08-01

    2-Methyl-tetrahydrofuran (2-MeTHF) can be derived from renewable resources (e.g., furfural or levulinic acid) and is a promising alternative solvent in the search for environmentally benign synthesis strategies. Its physical and chemical properties, such as its low miscibility with water, boiling point, remarkable stability compared to other cyclic-based solvents such as THF, and others make it appealing for applications in syntheses involving organometallics, organocatalysis, and biotransformations or for processing lignocellulosic materials. Interestingly, a significant number of industries have also started to assess 2-MeTHF in several synthetic procedures, often with excellent results and prospects. Likewise, preliminary toxicology assessments suggest that the use of 2-MeTHF might even be extended to more processes in pharmaceutical chemistry. This Minireview describes the properties of 2-MeTHF, the state-of-the-art of its use in synthesis, and covers several outstanding examples of its application from both industry and academia.

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

    PubMed Central

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

    2016-01-01

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

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

    PubMed

    Lucendo-Villarin, B; Rashidi, H; Cameron, K; Hay, D C

    2016-05-28

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

  11. 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.

  12. MURI Center for Materials Chemistry in the Space Environment

    DTIC Science & Technology

    2006-11-30

    coordinates for reactions associated with O( P ) processing of hydrocarbon materials. This ab initio information was used to fit PM3 semi-empirical...capability, coupled with our extant ability to generate supersonic beams of O( P ) and O( D) atoms, gives us unprecedented control over reactivity studies...reaction associated with O( P ) processing of hydrocarbon materials. Electronic structure calculations based on multiconfiguration wave functions were used

  13. 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

  14. 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.

  15. 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.

  16. Synthesis and cytotoxicity of triterpenoids derived from betulin and betulinic acid via click chemistry.

    PubMed

    Shi, Wei; Tang, Ning; Yan, Wei-Dong

    2015-01-01

    In this study, a series of triazole substituted betulin and betulinic acid derivatives was designed and synthesized via click chemistry at C-30 position. Eighteen target compounds were evaluated in vitro for their antitumor activities against leukemia cell-line HL-60. Seventeen compounds have not reported before. The cytotoxic experiment showed that most of betulinic acid derived triazoles have higher cytotoxic profile than betulinic acid. Among them, compound 30-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl] betulinic acid (7b) showed the best IC50 value (1.3 μM) against leukemia cell-line HL-60 (eight- to ninefold higher potency than betulinic acid).

  17. Evolution in Medicinal Chemistry of Ursolic Acid Derivatives as Anticancer Agents

    PubMed Central

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

    2015-01-01

    Currently, there is a renewed interest in common dietaries and plant-based traditional medicines for the prevention and treatment of cancer. In the search for potential anticancer agents from natural sources, ursolic acid (UA), a pentacyclic triterpenoid widely found in various medicinal herbs and fruits, exhibits powerful biological effects including its attractive anticancer activity against various types of cancer cells. However, the limited solubility, rapid metabolism and poor bioavailability of UA restricted its further clinical applications. In the past decade, with substantial progress toward the development of new chemical entities for the treatment of cancer, numerous UA derivatives have been designed and prepared to overcome its disadvantages. Despite extensive effort, discovery of effective UA derivatives has so far met with only limited success. This review summarizes the current status of the structural diversity and evolution in medicinal chemistry of UA analogues and provides a detailed discussion of future direction for further research in the chemical modifications of UA. PMID:25617694

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

    PubMed

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

    2015-03-06

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

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. Crystal Chemistry and Ceramic Processing of Rare Earth Chalcogenide Optical and Electronic Materials

    NASA Astrophysics Data System (ADS)

    Vaughan, Cheryl Marie

    1990-01-01

    The thesis is concerned with the development of new IR transmitting materials for the 8-14 micrometer atomspheric window. The strategy was to investigate, in detail, the synthesis, crystal chemistry, processing, optical, and electronic properties of the rare earth sulfide as candidate materials. The rare earths crystallize in five known structures. Study of their temperature stabilities during long reaction times showed that alpha (orthorhombic, Pnma) exists as the low temperature form, and gamma (cubic, I| 43d) exists as the high temperature form in the large rare earths. Delta (monoclinic, P2/m) exists in the smaller rare earths from Ho through Tm over all temperature ranges, and episilon (trigonal, R| 3c) forms from Yb and Lu. Beta (tetragonal, I4/acd), which is reported in literature as a mid temperature range, oxygen stabilized rare earth sulfide, appears to be an oxysulfide and is an intermediate step between the oxide and sulfide from La through Nd. Extremely fine-grained precursor oxides were synthesized by evaporative decomposition of solution. An ultrasonic dispersion of aqueous nitrate salts is misted into a hot walled furnace. The 2-5 micrometer resulting oxides were predominantly well-crystallized spherical particles. The sesquisulfides could be readily synthesized by direct reaction of the oxides with flowing H_2S in the presence of graphite. These reactive, fine-grained, EDS-derived sulfides could be sintered into ceramic compacts that achieved 92 -98 percent of theoretical density. Sintering temperatures from 1200^circ-1400 ^circC and time of 80-120 minutes in flowing H_2S produced the best ceramics. This method of preparation is superior to the method using stock 25-35 micrometer starting materials which only received 70-78 percent of theoretical density. The measurement of the electronic absorption edge yielded band gaps of 1.6-2.6 eV. The first-order transverse and longitudinal phonon frequencies obtained by specular reflectance FTIR spectroscopy

  4. 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

  5. Material properties derived from three-dimensional shape representations.

    PubMed

    Marlow, Phillip J; Anderson, Barton L

    2015-10-01

    Retinal image structure is due to a complex mixture of physical sources that includes the surface's 3D shape, light-reflectance and transmittance properties, and the light field. The visual system can somehow discriminate between these different sources of image structure and recover information about the objects and surfaces in the scene. There has been significant debate about the nature of the representations that are used to derive surface reflectance properties such as specularity (gloss). Specularity could be derived either directly from 2D image properties or by exploiting information that can only be derived from representations in which 3D shape has been made explicit. We recently provided evidence that 3D shape information can play a critical role in the perception of material specularity, but the shape manipulation in our prior study also significantly changed 2D image properties (Marlow, Todorović, & Anderson, 2015). Here, we held fixed all monocularly visible 2D image properties and manipulated 3D shape stereoscopically. When binocularly fused, the depicted 3D shapes induced striking transformations in the surfaces' apparent material properties, which vary from matte to 'metallic'. Our psychophysical measurements of perceived specularity reveal that 3D shape information can play a critical role in material perception for both singly-curved surfaces and more complex geometries that curve in two directions. These results provide strong evidence that the perception of material specularity can depend on physical constraints derived from representations in which three-dimensional shape has been made explicit.

  6. 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.

  7. Discovery and development of natural product-derived chemotherapeutic agents based on a medicinal chemistry approach.

    PubMed

    Lee, Kuo-Hsiung

    2010-03-26

    Medicinal plants have long been an excellent source of pharmaceutical agents. Accordingly, the long-term objectives of the author's research program are to discover and design new chemotherapeutic agents based on plant-derived compound leads by using a medicinal chemistry approach, which is a combination of chemistry and biology. Different examples of promising bioactive natural products and their synthetic analogues, including sesquiterpene lactones, quassinoids, naphthoquinones, phenylquinolones, dithiophenediones, neo-tanshinlactone, tylophorine, suksdorfin, DCK, and DCP, will be presented with respect to their discovery and preclinical development as potential clinical trial candidates. Research approaches include bioactivity- or mechanism of action-directed isolation and characterization of active compounds, rational drug design-based modification and analogue synthesis, and structure-activity relationship and mechanism of action studies. Current clinical trial agents discovered by the Natural Products Research Laboratories, University of North Carolina, include bevirimat (dimethyl succinyl betulinic acid), which is now in phase IIb trials for treating AIDS. Bevirimat is also the first in a new class of HIV drug candidates called "maturation inhibitors". In addition, an etoposide analogue, GL-331, progressed to anticancer phase II clinical trials, and the curcumin analogue JC-9 is in phase II clinical trials for treating acne and in development for trials against prostate cancer. The discovery and development of these clinical trial candidates will also be discussed.

  8. 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.

  9. Progressive macromolecular self-assembly: from biomimetic chemistry to bio-inspired materials.

    PubMed

    Zhao, Yu; Sakai, Fuji; Su, Lu; Liu, Yijiang; Wei, Kongchang; Chen, Guosong; Jiang, Ming

    2013-10-04

    Macromolecular self-assembly (MSA) has been an active and fruitful research field since the 1980s, especially in this new century, which is promoted by the remarkable developments in controlled radical polymerization in polymer chemistry, etc. and driven by the demands in bio-related investigations and applications. In this review, we try to summarize the trends and recent progress in MSA in relation to biomimetic chemistry and bio-inspired materials. Our paper covers representative achievements in the fabrication of artificial building blocks for life, cell-inspired biomimetic materials, and macromolecular assemblies mimicking the functions of natural materials and their applications. It is true that the current status of the deliberately designed and obtained nano-objects based on MSA including a variety of micelles, multicompartment vesicles, and some hybrid and complex nano-objects is at their very first stage to mimic nature, but significant and encouraging progress has been made in achieving a certain similarity in morphologies or properties to that of natural ones. Such achievements also demonstrate that MSA has played an important and irreplaceable role in the grand and long-standing research of biomimetic and bio-inspired materials, the future success of which depends on mutual and persistent efforts in polymer science, material science, supramolecular chemistry, and biology.

  10. Synthesis of camphecene derivatives using click chemistry methodology and study of their antiviral activity.

    PubMed

    Artyushin, Oleg I; Sharova, Elena V; Vinogradova, Natalya M; Genkina, Galina K; Moiseeva, Aleksandra A; Klemenkova, Zinaida S; Orshanskaya, Iana R; Shtro, Anna A; Kadyrova, Renata A; Zarubaev, Vladimir V; Yarovaya, Olga I; Salakhutdinov, Nariman F; Brel, Valery K

    2017-03-22

    A series of seventeen tetrazole derivatives of 1,7,7-trimethyl-[2.2.1]bicycloheptane were synthesized using click chemistry methodology and characterized by spectral data. Studies of cytotoxicity and in vitro antiviral activity against influenza virus A/Puerto Rico/8/34 (H1N1) in MDCK cells of the compounds obtained were performed. The structure-activity relationship analysis suggests that to possess virus-inhibiting activity, the compounds of this group should bear oxygen atom with a short linker (C2-C4), either as a hydroxyl group (18, 19, 29), keto-group (21) or as a part of a heterocycle (24). These compounds demonstrated low cytotoxicity along with high anti-viral activity.

  11. Dense velocity reconstruction from tomographic PTV with material derivatives

    NASA Astrophysics Data System (ADS)

    Schneiders, Jan F. G.; Scarano, Fulvio

    2016-09-01

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

  12. Classical Challenges in the Physical Chemistry of Polymer Networks and the Design of New Materials.

    PubMed

    Wang, Rui; Sing, Michelle K; Avery, Reginald K; Souza, Bruno S; Kim, Minkyu; Olsen, Bradley D

    2016-12-20

    Polymer networks are widely used from commodity to biomedical materials. The space-spanning, net-like structure gives polymer networks their advantageous mechanical and dynamic properties, the most essential factor that governs their responses to external electrical, thermal, and chemical stimuli. Despite the ubiquity of applications and a century of active research on these materials, the way that chemistry and processing interact to yield the final structure and the material properties of polymer networks is not fully understood, which leads to a number of classical challenges in the physical chemistry of gels. Fundamentally, it is not yet possible to quantitatively predict the mechanical response of a polymer network based on its chemical design, limiting our ability to understand and characterize the nanostructure of gels and rationally design new materials. In this Account, we summarize our recent theoretical and experimental approaches to study the physical chemistry of polymer networks. First, our understanding of the impact of molecular defects on topology and elasticity of polymer networks is discussed. By systematically incorporating the effects of different orders of loop structure, we develop a kinetic graph theory and real elastic network theory that bridge the chemical design, the network topology, and the mechanical properties of the gel. These theories show good agreement with the recent experimental data without any fitting parameters. Next, associative polymer gel dynamics is discussed, focusing on our evolving understanding of the effect of transient bonds on the mechanical response. Using forced Rayleigh scattering (FRS), we are able to probe diffusivity across a wide range of length and time scales in gels. A superdiffusive region is observed in different associative network systems, which can be captured by a two-state kinetic model. Further, the effects of the architecture and chemistry of polymer chains on gel nanostructure are studied. By

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

    DOE PAGES

    Song, Yang; Manaa, M. Riad

    2012-01-26

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

  14. 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

  15. 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.

  16. 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

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

    SciTech Connect

    Smith, M.W.

    1983-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Walcarius, Alain; Collinson, Maryanne M.

    2009-07-01

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

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

    PubMed

    Welter-Luedeke, Jessica; Maurer, Hans H

    2016-02-01

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

  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

    2015-03-09

    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.

  2. 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

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

    PubMed

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

    2014-10-03

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

  4. The Impact of Surface Chemistry on Bio-derived Carbon Performance as Supercapacitor Electrodes

    NASA Astrophysics Data System (ADS)

    Alshareef, Niman H.; Whitehair, Daniel; Xia, Chuan

    2016-12-01

    In this study, we demonstrate that highly functionalized and porous carbons can be derived from palm-leaf waste using the template-free facile synthesis process. The derived carbons have high content of nitrogen dopant, high surface area, and various defects. Moreover, these carbons exhibit a high electrical conductivity (107 S m-1). Thanks to the high content of edge N (64.3%) and highly microporous nature (82% of microspores), these biomass-derived carbons show promising performance when used as supercapacitor electrodes. To be specific, these carbonaceous materials show a specific capacitance as high as 197 and 135 F g-1 at 2 and 20 A g-1 in three-electrode configuration, respectively. Furthermore, the symmetrical cells using palm-leaf-derived carbon show an energy density of 8.4 Wh Kg-1 at a power density of 0.64 kW Kg-1, with high cycling life stability (˜8% loss after 10,000 continuous charge-discharge cycles at 20 A g-1). Interestingly, as the power density increases from 4.4 kW kg-1 to 36.8 kW kg-1, the energy density drops slowly from 8.4 Wh kg-1 to 3.4 Wh kg-1. Getting such extremely high power density without significant loss of energy density indicates that these palm-leaf-derived carbons have excellent electrode performance as supercapacitor electrodes.

  5. The Impact of Surface Chemistry on Bio-derived Carbon Performance as Supercapacitor Electrodes

    NASA Astrophysics Data System (ADS)

    Alshareef, Niman H.; Whitehair, Daniel; Xia, Chuan

    2017-03-01

    In this study, we demonstrate that highly functionalized and porous carbons can be derived from palm-leaf waste using the template-free facile synthesis process. The derived carbons have high content of nitrogen dopant, high surface area, and various defects. Moreover, these carbons exhibit a high electrical conductivity (107 S m-1). Thanks to the high content of edge N (64.3%) and highly microporous nature (82% of microspores), these biomass-derived carbons show promising performance when used as supercapacitor electrodes. To be specific, these carbonaceous materials show a specific capacitance as high as 197 and 135 F g-1 at 2 and 20 A g-1 in three-electrode configuration, respectively. Furthermore, the symmetrical cells using palm-leaf-derived carbon show an energy density of 8.4 Wh Kg-1 at a power density of 0.64 kW Kg-1, with high cycling life stability (˜8% loss after 10,000 continuous charge-discharge cycles at 20 A g-1). Interestingly, as the power density increases from 4.4 kW kg-1 to 36.8 kW kg-1, the energy density drops slowly from 8.4 Wh kg-1 to 3.4 Wh kg-1. Getting such extremely high power density without significant loss of energy density indicates that these palm-leaf-derived carbons have excellent electrode performance as supercapacitor electrodes.

  6. 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.

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

    SciTech Connect

    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.

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

    PubMed

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

    2003-01-01

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

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

    PubMed Central

    Cao, Binrui; Yang, Mingying; Mao, Chuanbin

    2016-01-01

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

  10. 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

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

    PubMed

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

    2007-02-01

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

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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.

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

    PubMed

    Chivers, Tristram; Elder, Philip J W

    2013-07-21

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

  18. 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

  19. 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.

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

    PubMed

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

    2016-07-21

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

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

    PubMed

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

    2014-09-25

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

  2. 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.

  3. 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.

  4. 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

  5. Materials chemistry issues related to advanced materials applications in the automotive industry

    SciTech Connect

    Narula, C.K.; Allison, J.E.; Bauer, D.R.; Gandhi, H.S.

    1996-05-01

    This paper describes materials research for automobile applications. Topics include ceramics in gas turbines and adibatic engines, metal matrix composites, fiber reinforced plastics, automobile catalysts, and ceramic precursor technology.

  6. 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.

  7. 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

  8. Synthesis of phthalocyanine derivatives as materials for organic photovoltaic cells

    NASA Astrophysics Data System (ADS)

    Collazo-Ramos, Aura

    Organic photovoltaics (OPVs) are used to convert sunlight into electricity by using thin films of organic semiconductors. OPVs have the potential to produce low cost, lightweight, flexible devices with an eased manufacturing process. This technology contains the potential to increase the use of clean, sustainable solar energy, helping manage the global energy and environmental crisis that results majorly from the constant use of fossil fuels as an energy source. The ability to modulate the physical properties of organic molecules by tuning their chemical structure is an advantage for OPVs. Phthalocyanines (Pcs) are highly pi-conjugated synthetic porphyrin analogs that have been explored as active layer components in OPVs due to their high extinction coefficients and hole mobilities. The Pc structure can be modified by the introduction of metals in the core and the incorporation of substituents into the periphery. These modifications tend to tune the solubility, photophysical properties and condensed phase organization of Pcs. The research work in this dissertation describes improved methods towards substituted Pc derivatives addressing: (1) the use of mass spectrometry techniques for Pcs characterization, (2) efforts to achieve materials with near-infrared (NIR) absorption, and (3) the potential of Pc as electron-acceptor materials. Herein, the synthesis of a series of asymmetric and symmetric metallated Pcs has been established, which resulted in interesting chemical, photophysical and electrochemical properties. The materials investigated in this thesis increase the potential of Pcs as organic semiconductors for OPVs.

  9. 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…

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

    SciTech Connect

    Koontz, S.L.; Leger, L.J.; Wu, C.; Cross, J.B.; Jurgensen, C.W. |

    1994-05-01

    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.

  11. 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.

  12. 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.

  13. Urban biowaste-derived sensitizing materials for caffeine photodegradation.

    PubMed

    Bianco Prevot, A; Baino, F; Fabbri, D; Franzoso, F; Magnacca, G; Nisticò, R; Arques, A

    2016-09-30

    Caffeine-photosensitized degradation has been studied in the presence of bio-based materials derived from urban biowaste after aerobic aging. A peculiar fraction (namely bio-based substances (BBSs)), soluble in all the pH range, has been used as photosensitizing agent. Several caffeine photodegradation tests have been performed, and positive results have been obtained in the presence of BBSs and H2O2, without and with additional Fe(II) (photo-Fenton-like process). Moreover, hybrid magnetite-BBS nanoparticles have been synthesized and characterized, in order to improve the sensitizer recovery and reuse after the caffeine degradation. In the presence of such nanoparticles and H2O2 and Fe(II), the complete caffeine degradation has been attained in very short time. Both homogeneous and heterogeneous processes were run at pH = 5, milder condition compared to the classic photo-Fenton process.

  14. Theoretical Investigation of Pyridine Derivatives as High Energy Materials

    NASA Astrophysics Data System (ADS)

    Lin, He; Chen, Peng-Yuan; Zhu, Shun-Guan; Li, Kun; Li, Hong-Zhen; Peng, Xin-Hua

    2014-07-01

    In this work, properties of polynitro-bridged pyridine derivatives were systemically studied at the B3LYP/6-31G(d) level. Gas-phase heats of formation (HOFs) for the designed compounds were calculated using isodesmic reactions, and their solid-phase HOFs were estimated using the Politzer approach. All designed compounds possess large solid-phase HOFs, larger than 700 kJ/mol. Based on the predicted crystal densities, solid-phase HOFs, and chemical energies, detonation properties were evaluated by means of Kamlet-Jacobs empirical equations. The results show that detonation velocities and pressures of all of the designed compounds are above 9.30 km/s and 40.00 GPa, respectively. In addition, bond dissociation energy (BDE) was employed to investigate their thermal stability. Considering solid-phase HOFs, detonation performance, and thermal stability, most of the designed compounds meet the requirements of high energy density materials (HEDMs).

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

    NASA Astrophysics Data System (ADS)

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

    2011-04-01

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

  16. A new method to study complex materials in solid state chemistry: application to chalcogenide materials

    NASA Astrophysics Data System (ADS)

    Lippens, P. E.; Olivier-Fourcade, J.; Jumas, J. C.

    1998-08-01

    We show that a combined application of Mössbauer spectroscopy and other experimental tools such as X-ray photoelectron spectroscopy, X-ray absorption spectroscopy and nuclear magnetic resonance provides a coherent picture of the local electronic structure in chalcogenide materials. In order to develop this idea we propose an analysis of the Sn, Sb and Te local electronic structures for three different systems of materials. The first example concerns the In Sn S system. We show that Li insertion in In16Sn4S32 leads to changes of the Sn oxidation states from Sn(IV) to Sn(II). The second example concerns materials of the Tl Sb S system. We show that variations of the 121Sb Mössbauer isomer shift and surface of the first peak of the X-ray absorption spectra at the Sb LIII edge can be linearly correlated because of the main influence of the Sb 5s electrons. This is explained by changes in the local environment of the Sb atoms. The last example concerns the crystalline phases of the Tl Sn Te system. The formal oxidation numbers of the Te atoms are determined from 125Te Mössbauer spectroscopy and X-ray photoelectron spectroscopy. They are related to the different types of bonds involving the Te atoms in the Tl Sn Te compounds.

  17. 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.

  18. 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.

  19. 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.

  20. Acute toxicity and chemistry of urban and nonurban bed material, Maricopa County, Arizona

    SciTech Connect

    Lopes, T.J.

    1995-12-31

    The acute toxicity and chemistry of bed material in the Phoenix, Arizona, area were characterized to determine if urban activities degrade bed-material quality. Samples were collected from unpaved lots and ephemeral channels in urban and undeveloped drainage basins. Samples were sieved to less than 63 microns to make comparisons between samples and were analyzed for constituent concentrations and acute toxicity using the amphipod Hyalella azteca. Analysis of variance with Tukeys` multiple comparison test indicated that bed-material samples from the undeveloped drainage basin were more toxic than samples from ephemeral channels. The toxicity of bed material was not significantly different between undeveloped and urban drainage basins and between urban drainage basins and ephemeral channels. The most toxic bed-material samples from urban drainage basins appeared to be those samples collected from areas where stormwater accumulates. Concentrations of ammonia, lead, cadmium, and zinc were significantly greater in urban bed-material samples than in samples from the undeveloped drainage basin and ephemeral channels. Zinc and cadmium were associated with organic carbon in urban bed-material samples, and trace metals were associated with iron and manganese in samples from the undeveloped drainage basin. Mortality rates in bed-material samples from the undeveloped drainage basin moderately correlated with recoverable concentrations of zinc (rank correlation of 0.71), lead (0.59), and copper (0.46). Mortality rates in bed-material samples from urban drainage basins significantly correlated with recoverable concentrations of cadmium (0.81) and zinc (0.70).The association of trace metals with iron and manganese seemed to increase trace-metal bioavailability when compared with trace metals associated with organic carbon.

  1. 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.

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

    ERIC Educational Resources Information Center

    DomNwachukwu, Nkechi S.; DomNwachukwu, Chinaka S.

    2006-01-01

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

  3. 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).

  4. 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.

  5. 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

  6. Structural and defect chemistry guidelines for Sr(V,Nb)O3-based SOFC anode materials.

    PubMed

    Macías, J; Yaremchenko, A A; Fagg, D P; Frade, J R

    2015-04-28

    Structural and defect chemistry guidelines were used for Nb-substituted SrVO3-δ materials, designed to meet SOFC anode requirements, with emphasis on redox tolerance, thermochemical compatibility with other SOFC materials, electrical conductivity and adjustable changes in oxygen stoichiometry for their prospective impact on electrocatalytic performance. SrV1-xNbxO3-δ (x = 0-0.30) ceramics were prepared by solid-state synthesis and sintered at 1773 K in a reducing atmosphere. XRD and SEM/EDS showed that under these conditions a single-phase cubic perovskite structure appears up to x ≈ 0.25. Electrical conductivity is metallic-like and nearly p(O2)-independent. Although substitution by niobium decreases the conductivity, which still exceeds 100 S cm(-1) for x ≤ 0.20 at temperatures below 1273 K, it also expands the stability domain of the cubic perovskite phase and suppresses partly high thermochemical expansion characteristic of parent SrVO3-δ. The upper p(O2) limit of phase stability was found to shift from ∼2 × 10(-15) atm for the undoped material to ∼2 × 10(-12) atm for x = 0.30, whereas the average thermal expansion coefficient at 773-1223 K decreased from 22.7 × 10(-6) to 13.3 × 10(-6) K(-1). SrV1-xNbxO3-δ perovskites undergo oxidative decomposition in air, which causes dimensional and microstructural changes. However, sluggish kinetics of oxidation under inert gas conditions results in nearly reversible behavior in relatively short-term redox cycles between reducing and inert atmospheres. Subtle structural changes and a close correlation with point defect chemistry clarify these sluggish changes and provide guidelines to retain the metastability.

  7. 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.

  8. 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…

  9. 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.

  10. Marihuana-derived material: biochemical studies of the ocular responses.

    PubMed

    Green, K; Cheeks, K; Mittag, T; Riley, M V; Symonds, C M; Deutsch, H M; Hodges, L C; Zalkow, L H

    1985-05-01

    Some biochemical factors of the iris-ciliary body of the rabbit have been examined for effects induced by water-soluble marihuana-derived material (MDM). Adenylate cyclase activity and sensitivity to beta-adrenergic agonists were unchanged, as measured 4 hours after MDM administration in vivo. Magnesium-dependent and anion-sensitive, but not sodium-potassium, ATPase activities were inhibited 6 hours after MDM administration in vivo, although they were unaffected by in vitro incubation. Topical administration of a potent substance P antagonist had no effect on the time course or magnitude of intravenous MDM-induced ocular effects in rabbit. Intravenously administered sugars antagonized the effects of MDM on intraocular pressure. A variety of drugs which display a range of biochemical effects varying from beta-adrenergic receptor agonism, to alteration of glycoprotein residues were employed. None of the agents employed, ranging from cAMP modifiers to protein synthesis blockers, had any effect on the MDM-induced response. It is apparent that the mechanism underlying the ocular hypotensive effect of MDM does not reside in mediation through adenylate cyclase, ATPase or substance P, but rather through a mechanism mediated by terminal sugar moieties on the molecule. The data suggest that modification of the surface membrane glycoprotein residues on the ciliary epithelium can induce marked alterations in aqueous humor flow rate.

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

    SciTech Connect

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

    2008-09-01

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

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. AN AZERBAIDZHAN SSR. INSTITUTE OF ADDITIVE CHEMISTRY ADDITIVES TO LUBRICATING OILS. PROBLEMS OF SYNTHESIS, INVESTIGATION AND USE OF OIL ADDITIVES; FUELS AND POLYMER MATERIALS (SELECTED ARTICLES),

    DTIC Science & Technology

    An Azerbaidzhan SSR. Institute of additive chemistry additives to lubricating oils . Problems of synthesis, investigation and use of oil additives; fuels and polymer materials (Selected articles)--Translation.

  17. Identification of Protein Targets of 4-Hydroxynonenal Using Click Chemistry for Ex Vivo Biotinylation of Azido and Alkynyl Derivatives

    PubMed Central

    Vila, Andrew; Tallman, Keri A.; Jacobs, Aaron T.; Liebler, Daniel C.; Porter, Ned A.; Marnett, Lawrence J.

    2009-01-01

    Polyunsaturated fatty acids (PUFA) are primary targets of free radical damage during oxidative stress. Diffusible electrophilic α, β-unsaturated aldehydes, such as 4-hydroxynonenal (HNE), have been shown to modify proteins that mediate cell signaling (e.g. IKK and Keap1) and alter gene expression pathways responsible for inducing antioxidant genes, heat shock proteins, and the DNA damage response. To fully understand cellular responses to HNE, it is important to determine its protein targets in an unbiased fashion. This requires a strategy for detecting and isolating HNE-modified proteins regardless of the nature of the chemical linkage between HNE and its targets. Azido or alkynyl derivatives of HNE were synthesized and demonstrated to be equivalent to HNE in their ability to induce heme oxygenase induction and induce apoptosis in colon cancer (RKO) cells. Cells exposed to the tagged HNE derivatives were lysed and exposed to reagents to effect Staudinger ligation or copper-catalyzed Huisgen 1,3 dipolar cycloaddition reaction (click chemistry) to conjugate HNE-adducted proteins with biotin for subsequent affinity purification. Both strategies yielded efficient biotinylation of tagged HNE-protein conjugates but click chemistry was found to be superior for recovery of biotinylated proteins from streptavidin-coated beads. Biotinylated proteins were detected in lysates from RKO cell incubations with azido-HNE at concentrations as low as 1 μM. These proteins were affinity purified with streptavidin beads and proteomic analysis was performed by linear ion trap mass spectrometry. Proteomic analysis revealed a dose-dependent increase in labeled proteins with increased sequence coverage at higher concentrations. Several proteins involved in stress signaling (heat shock proteins 70 and 90, and the 78-kDa glucose-regulated protein) were selectively adducted by azido- and alkynyl-HNE. The use of azido and alkynyl derivatives in conjunction with click chemistry appears to be

  18. 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…

  19. The effect of C-OH functionality on the surface chemistry of biomass-derived molecules: ethanol chemistry on Rh(100).

    PubMed

    Caglar, B; Olus Ozbek, M; Niemantsverdriet, J W Hans; Weststrate, C J Kees-Jan

    2016-11-21

    The adsorption and decomposition of ethanol on Rh(100) was studied as a model reaction to understand the role of C-OH functionalities in the surface chemistry of biomass-derived molecules. A combination of experimental surface science and computational techniques was used: (i) temperature programmed reaction spectroscopy (TPRS), reflection absorption infrared spectroscopy (RAIRS), work function measurements (Kelvin Probe - KP), and density functional theory (DFT). Ethanol produces ethoxy (CH3CH2O) species via O-H bond breaking upon adsorption at 100 K. Ethoxy decomposition proceeds differently depending on the surface coverage. At low coverage, the decomposition of ethoxy species occurs viaβ-C-H cleavage, which leads to an oxometallacycle (OMC) intermediate. Decomposition of the OMC scissions (at 180-320 K) ultimately produces CO, H2 and surface carbon. At high coverage, along with the pathway observed in the low coverage case, a second pathway occurs around 140-200 K, which produces an acetaldehyde intermediate viaα-C-H cleavage. Further decomposition of acetaldehyde produces CH4, CO, H2 and surface carbon. However, even at high coverage this is a minor pathway, and methane selectivity is 10% at saturation coverage. The results suggests that biomass-derived oxygenates, which contain an alkyl group, react on the Rh(100) surface to produce synthesis gas (CO and H2), surface carbon and small hydrocarbons due to the high dehydrogenation and C-C bond scission activity of Rh(100).

  20. Organic Metals and Semiconductors: The Chemistry of Polyacetylene, (CH)x, and Its Derivatives.

    DTIC Science & Technology

    1979-11-24

    diferent &*a Rtsp ~t3n& 18. SUPPLEMENTARY NOTES Paper presented at the 3rd International Congress of Quantum Chemistry, Kyoto, Japan, October 1979 ., Is...prepared using a lower catalyst concentration (7). Highly porous, very low density, "foam- like" (C.) can be obtained from these gels (7). Both cis...MacDiarmid, A.G.: 1979, Proceedings NATO ASI on Low Dimen- sional Solids, Tomar, Portugal, Aug. 1979. Io - -’ - -- - l . -- --- ...... - --- -7- p-(CH

  1. 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

  2. Effect of Material Ion Exchanges on the Mechanical Stiffness Properties and Shear Deformation of Hydrated Cement Material Chemistry Structure C-S-H Jennite -- A Computational Modeling Study

    NASA Astrophysics Data System (ADS)

    Adebiyi, Babatunde Mattew

    Material properties and performance are governed by material molecular chemistry structures and molecular level interactions. Methods to understand relationships between the material properties and performance and their correlation to the molecular level chemistry and morphology, and thus find ways of manipulating and adjusting matters at the atomistic level in order to improve material performance, are required. A computational material modeling methodology is investigated and demonstrated for a key cement hydrated component material chemistry structure of Calcium-Silicate-Hydrate (C-S-H) Jennite in this work. The effect of material ion exchanges on the mechanical stiffness properties and shear deformation behavior of hydrated cement material chemistry structure of Calcium Silicate Hydrate (C-S-H) Jennite was studied. Calcium ions were replaced with Magnesium ions in Jennite structure of the C-S-H gel. Different level of substitution of the ions was used. The traditional Jennite structure was obtained from the American Mineralogist Crystal Structure Database and super cells of the structures were created using a Molecular Dynamics Analyzer and Visualizer Material Studio. Molecular dynamics parameters used in the modeling analysis were determined by carrying out initial dynamic studies. 64 unit cell of C-S-H Jennite was used in material modeling analysis studies based on convergence results obtained from the elastic modulus and total energies. NVT forcite dynamics using COMPASS force field based on 200 ps dynamics time was used to determine mechanical modulus of the traditional C-S-H gel and the Magnesium ion modified structures. NVT Discover dynamics using COMPASS forcefield was used in the material modeling studies to investigate the influence of ionic exchange on the shear deformation of the associated material chemistry structures. A prior established quasi-static deformation method to emulate shear deformation of C-S-H material chemistry structure that is

  3. 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

  4. 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…

  5. 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.

  6. 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…

  7. Highly Soluble p-Terphenyl and Fluorene Derivatives as Efficient Dopants in Plastic Scintillators for Sensitive Nuclear Material Detection.

    PubMed

    Sellinger, Alan; Yemam, Henok A; Mahl, Adam; Greife, Uwe; Tinkham, Jonathan; Koubek, Joshua

    2017-04-10

    Plastic scintillators are commonly used as first-line detectors for special nuclear materials. Current state-of-the-art plastic scintillators based on poly(vinyltoluene) (PVT) matrices containing high loadings (>15.0 wt%) of 2,5-diphenyloxazole (PPO) offer neutron signal discrimination in gamma radiation background (termed pulse shape discrimination, PSD), however they suffer from poor mechanical properties. In this work, a series of p-terphenyl and fluorene derivatives were synthesized and used as dopants in PVT based plastic scintillators as possible alternatives to PPO to address the mechanical property issue and to study the PSD mechanism. The derivatives were synthesized from low cost starting materials in high yields using simple chemistry. The photophysical and thermal properties were investigated for their influence on radiation sensitivity/detection performance, and mechanical stability. A direct correlation was found between the melting point of the dopants and the subsequent mechanical properties of the PVT based plastic scintillators. Select fluorene derivatives produced scintillator samples whose mechanical properties exceeded those of the commercial PPO based scintillators while producing acceptable PSD capabilities. The physical properties of the synthesized dopants were also investigated to examine their effect on the samples. Planar derivatives of fluorene were found to be highly soluble in PVT matrices with little to no aggregation induced effects.

  8. Computational Material Modeling of Hydrated Cement Paste Calcium Silicate Hydrate (C-S-H) Chemistry Structure - Influence of Magnesium Exchange on Mechanical Stiffness: C-S-H Jennite

    DTIC Science & Technology

    2015-04-27

    scales. Features and changes in material chemistry /nano scale influence the hydration process, formed micro scale morphology, associated properties...hydrated cement paste constituent - calcium silicate hydrate (C-S-H) based on its material chemistry structure are studied following a molecular dynamics... Chemistry Structure - Influence of Magnesium Exchange on Mechanical Stiffness: C- S-H Jennite The views, opinions and/or findings contained in this

  9. Chemistry of decomposition of freshwater wetland sedimentary organic material during ramped pyrolysis

    NASA Astrophysics Data System (ADS)

    Williams, E. K.; Rosenheim, B. E.

    2011-12-01

    Ramped pyrolysis methodology, such as that used in the programmed-temperature pyrolysis/combustion system (PTP/CS), improves radiocarbon analysis of geologic materials devoid of authigenic carbonate compounds and with low concentrations of extractable authochthonous organic molecules. The approach has improved sediment chronology in organic-rich sediments proximal to Antarctic ice shelves (Rosenheim et al., 2008) and constrained the carbon sequestration potential of suspended sediments in the lower Mississippi River (Roe et al., in review). Although ramped pyrolysis allows for separation of sedimentary organic material based upon relative reactivity, chemical information (i.e. chemical composition of pyrolysis products) is lost during the in-line combustion of pyrolysis products. A first order approximation of ramped pyrolysis/combustion system CO2 evolution, employing a simple Gaussian decomposition routine, has been useful (Rosenheim et al., 2008), but improvements may be possible. First, without prior compound-specific extractions, the molecular composition of sedimentary organic matter is unknown and/or unidentifiable. Second, even if determined as constituents of sedimentary organic material, many organic compounds have unknown or variable decomposition temperatures. Third, mixtures of organic compounds may result in significant chemistry within the pyrolysis reactor, prior to introduction of oxygen along the flow path. Gaussian decomposition of the reaction rate may be too simple to fully explain the combination of these factors. To relate both the radiocarbon age over different temperature intervals and the pyrolysis reaction thermograph (temperature (°C) vs. CO2 evolved (μmol)) obtained from PTP/CS to chemical composition of sedimentary organic material, we present a modeling framework developed based upon the ramped pyrolysis decomposition of simple mixtures of organic compounds (i.e. cellulose, lignin, plant fatty acids, etc.) often found in sedimentary

  10. 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

    2016-03-25

    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.

  11. 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.

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

    PubMed

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

    2013-07-01

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

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

    PubMed

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

    2014-06-02

    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.

  14. Click chemistry in mesoporous materials: functionalization of porous silicon rugate filters.

    PubMed

    Ciampi, Simone; Böcking, Till; Kilian, Kristopher A; Harper, Jason B; Gooding, J Justin

    2008-06-03

    In this paper we report the use of the optical properties of porous silicon photonic crystals, combined with the chemical versatility of acetylene-terminated SAMs, to demonstrate the applicability of "click" chemistry to mesoporous materials. Cu(I)-catalyzed alkyne-azide cycloaddition reactions were employed to modify the internal pore surfaces through a two-step hydrosilylation/cycloaddition procedure. A positive outcome of this catalytic process, here performed in a spatially confined environment, was only observed in the presence of a ligand-stabilized Cu(I) species. Detailed characterization using Fourier transform infrared spectroscopy and optical reflectivity measurements demonstrated that the surface acetylenes had reacted in moderate to high yield to afford surfaces exposing chemical functionalities of interest. The porous silicon photonic crystals modified by the two-step strategy, and exposing oligoether moieties, displayed improved resistance toward the nonspecific adsorption of proteins as determined with fluorescently labeled bovine serum albumin. These results demonstrate that "click" immobilization offers a versatile, experimentally simple, and modular approach to produce functionalized porous silicon surfaces for applications as diverse as porous silicon-based sensing devices and implantable biomaterials.

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

    DOE PAGES

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

    2014-11-13

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

  16. 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.

  17. 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

  18. 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

  19. Sol-gel derived electrode materials for supercapacitor applications

    NASA Astrophysics Data System (ADS)

    Lin, Chuan

    1998-12-01

    Electrochemical capacitors have been receiving increasing interest in recent years for use in energy storage systems because of their high energy and power density and long cycle lifes. Possible applications of electrochemical capacitors include high power pulsed lasers, hybrid power system for electric vehicles, etc. In this dissertation, the preparation of electrode materials for use as electrochemical capacitors has been studied using the sol-gel process. The high surface area electrode materials explored in this work include a synthetic carbon xerogel for use in a double-layer capacitor, a cobalt oxide xerogel for use in a pseudocapacitor, and a carbon-ruthenium xerogel composite, which utilizes both double-layer and faradaic capacitances. The preparation conditions of these materials were investigated in detail to maximize the surface area and optimize the pore size so that more energy could be stored while minimizing mass transfer limitations. The microstructures of the materials were also correlated with their performance as electrochemical capacitors to improve their energy and power densities. Finally, an idealistic mathematical model, including both double-layer and faradaic processes, was developed and solved numerically. This model can be used to perform the parametric studies of an electrochemical capacitor so as to gain a better understanding of how the capacitor works and also how to improve cell operations and electrode materials design.

  20. 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.

  1. 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.

  2. 77 FR 14022 - Guidance for Industry on Chemistry, Manufacturing, and Controls Information-Fermentation-Derived...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-08

    ... Veterinary Medicinal Use; Availability AGENCY: Food and Drug Administration, HHS. ACTION: Notice. SUMMARY..., Drug Substances, and Related Drug Products for Veterinary Medicinal Use.'' The purpose of this document... fermentation-derived intermediates, drug substances, and related drug products for veterinary medicinal...

  3. 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...

  4. 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)

  5. Chemistry and biology of ω-3 PUFA peroxidation-derived compounds.

    PubMed

    Wang, Weicang; Yang, Haixia; Johnson, David; Gensler, Catherine; Decker, Eric; Zhang, Guodong

    2016-12-31

    The ω-3 polyunsaturated fatty acids (PUFAs) are among the most popular dietary supplements in the US, but they are chemically unstable and highly prone to lipid peroxidation. Many studies performed in different countries demonstrate that the majority of ω-3 PUFA products on the market are oxidized, suggesting that the resulting ω-3 PUFA peroxidation-derived compounds could be widely consumed by the general public. Therefore, it is of practical importance to understand the effects of these oxidized lipid compounds on human health. In this review, we summarize and discuss the chemical structures and biological activities of ω-3 PUFA peroxidation-derived compounds, and emphasize the importance to better understand the role of lipid peroxidation in biological activities of ω-3 PUFAs.

  6. 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.

  7. Nanocrystal conversion chemistry: A unified and materials-general strategy for the template-based synthesis of nanocrystalline solids

    SciTech Connect

    Vasquez, Yolanda; Henkes, Amanda E.; Chris Bauer, J.; Schaak, Raymond E.

    2008-07-15

    The concept of nanocrystal conversion chemistry, which involves the use of pre-formed nanoparticles as templates for chemical transformation into derivative solids, has emerged as a powerful approach for designing the synthesis of complex nanocrystalline solids. The general strategy exploits established synthetic capabilities in simple nanocrystal systems and uses these nanocrystals as templates that help to define the composition, crystal structure, and morphology of product nanocrystals. This article highlights key examples of 'conversion chemistry' approaches to the synthesis of nanocrystalline solids using a variety of techniques, including galvanic replacement, diffusion, oxidation, and ion exchange. The discussion is organized according to classes of solids, highlighting the diverse target systems that are accessible using similar chemical concepts: metals, oxides, chalcogenides, phosphides, alloys, intermetallic compounds, sulfides, and nitrides. - Graphical abstract: Nanocrystal conversion chemistry uses pre-formed nanoparticles as templates for chemical transformation into derivative solids, helping to define the composition, crystal structure, and morphology of product nanocrystals that have more complex features than their precursor templates. This article highlights the application of this concept to diverse classes of solids, including metals, oxides, chalcogenides, phosphides, alloys, intermetallics, sulfides, and nitrides.

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

    NASA Astrophysics Data System (ADS)

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

    2002-04-01

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

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

    PubMed Central

    2016-01-01

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

  10. Remodeling Natural Products: Chemistry and Serine Hydrolase Activity of a Rocaglate-Derived β-Lactone

    PubMed Central

    2015-01-01

    Flavaglines are a class of natural products with potent insecticidal and anticancer activities. β-Lactones are a privileged structural motif found in both therapeutic agents and chemical probes. Herein, we report the synthesis, unexpected light-driven di-epimerization, and activity-based protein profiling of a novel rocaglate-derived β-lactone. In addition to in vitro inhibition of the serine hydrolases ABHD10 and ACOT1/2, the most potent β-lactone enantiomer was also found to inhibit these enzymes, as well as the serine peptidases CTSA and SCPEP1, in PC3 cells. PMID:24447064

  11. 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.

  12. Design, synthesis, and anticancer activity of novel berberine derivatives prepared via CuAAC "click" chemistry as potential anticancer agents.

    PubMed

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

    2014-01-01

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

  13. 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.

  14. 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.

  15. New pyridazine-fluorine derivatives: synthesis, chemistry and biological activity. Part II.

    PubMed

    Tucaliuc, Roxana-Angela; Cotea, Valeriu V; Niculaua, Marius; Tuchilus, Cristina; Mantu, Dorina; Mangalagiu, Ionel I

    2013-09-01

    A comprehensive study concerning synthesis, structure and biological activity of new pyridazine-fluorine (PYF) derivatives is presented. The first synthesis of PYF derivatives in phase-transfer catalysis (PTC) under microwave (MW) and conventional thermal heating (TH) is reported. Under MW irradiation the consumed energy decreases considerably, the amount of used solvent in liquid phase is at least five-fold less comparative with conventional TH, while PTC did not use solvents. Consequently these reactions could be considered environmentally friendly. Also, the reaction time decrease substantially and, in some cases, the yields are higher. A feasible explanation for MW efficiency is presented. Regiochemistry and chorochemistry involved in these reactions are also discussed; the reactions are regioselective and chorospecific or choroselective, respectively. Ten new pyridazine-fluorine cycloadducts are obtained. The in vitro antibacterial and antifungal activities of the PYF compounds were tested. Introduction of a trifluoromethyl moiety on the pyridazine skeleton is leading to an increasing of the antimicrobial activity. Structure-activity correlationships have been done.

  16. On-line UV spectrophotometric analysis for organic chemistry of novel inorganic polymer derived microreactor.

    PubMed

    Cheon, Jin-Ho; Yoon, Tae-Ho; Hong, Lan-Young; Park, Sang-Hee; Kim, Dong-Pyo

    2009-12-01

    The use of microfluidic or lab-on-a-chip system has shown great promise for many applications. We have previously reported fabrication and application of preceramic polymer derived chemically and mechanically stable microfluidic devices in organic synthesis. Even though organic reactions are successfully performed, it is hard to analyze product to evaluate yields without any time delay except for integration of detecting module in the devices. Moreover small sample volume makes it even difficult to analyze sample by conventional analytical tools. Removal of catalyst and by product before analysis is another hurdle in evaluating performance of microrector. In this paper we describe preliminary results for simple on-line (real-time) quantitative analysis of microchemical reaction in preceramic polymer derived microreactor without reconstruction of microreactor or expensive components. A commercial UVNIS spectrophotometer is used to monitor well established Knoevenagel reaction. To evaluate the performance of presented on-line UV/IS monitoring system, UV/IS data are compared with off-line gas chromatography based analysis system.

  17. Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.

    PubMed

    Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A

    2013-08-14

    Structural, conformational properties, and gas phase reactivity of two representative diastereoisomeric members of a series of α,α-tetrahydropyridazine amino acid derivatives have been investigated by using X-ray crystallography, tandem mass spectrometry and theoretical calculations. Both diastereoisomers show an unusual screw-boat conformation of the tetrahydropyridazine ring. While protonated molecules mainly decompose in the gas phase by loss of acetamide, the main reactivity of the [M + Na](+) species consists of loss of PhNCO followed by acetamide and it is strictly dependent upon the stereochemistry of the parent compound. The most stable energy minimized structures obtained by theoretical calculations are in full agreement with the experimental data and allowed us to rationalize the gas phase reaction pathways.

  18. 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

  19. 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.

  20. Sustainable hybrid photocatalysts: titania immobilized on carbon materials derived from renewable and biodegradable resources

    EPA Science Inventory

    This review comprises the preparation, properties and heterogeneous photocatalytic applications of TiO2 immobilized on carbon materials derived from earth-abundant, renewable and biodegradable agricultural residues and sea food waste resources. The overview provides key scientifi...

  1. Sustainable Materials Management (SMM) Web Academy Webinar: Compost from Food Waste: Understanding Soil Chemistry and Soil Biology on a College/University Campus

    EPA Pesticide Factsheets

    This page contains information about the Sustainable Materials Management (SMM) Web Academy Webinar Series titled Compost from Food Waste:Understanding Soil Chemistry and Soil Biology on a College/University Campus

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

    PubMed

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

    2016-09-01

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

  3. Iron Oxide Surface Chemistry: Effect of Chemical Structure on Binding in Benzoic Acid and Catechol Derivatives.

    PubMed

    Korpany, Katalin V; Majewski, Dorothy D; Chiu, Cindy T; Cross, Shoronia N; Blum, Amy Szuchmacher

    2017-03-13

    The excellent performance of functionalized iron oxide nanoparticles (IONPs) in nanomaterial and biomedical applications often relies on achieving the attachment of ligands to the iron oxide surface both in sufficient number and with proper orientation. Toward this end, we determine relationships between the ligand chemical structure and surface binding on magnetic IONPs for a series of related benzoic acid and catechol derivatives. Ligand exchange was used to introduce the model ligands, and the resultant nanoparticles were characterized using Fourier transform infrared-attenuated internal reflectance spectroscopy, transmission electron microscopy, and nanoparticle solubility behavior. An in-depth analysis of ligand electronic effects and reaction conditions reveals that the nature of ligand binding does not solely depend on the presence of functional groups known to bind to IONPs. The structure of the resultant ligand-surface complex was primarily influenced by the relative positioning of hydroxyl and carboxylic acid groups within the ligand and whether or not HCl(aq) was added to the ligand-exchange reaction. Overall, this study will help guide future ligand-design and ligand-exchange strategies toward realizing truly custom-built IONPs.

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

    SciTech Connect

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

    1991-12-31

    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.

  5. Many Body Methods from Chemistry to Physics: Novel Computational Techniques for Materials-Specific Modelling: A Computational Materials Science and Chemistry Network

    SciTech Connect

    Millis, Andrew

    2016-11-17

    Understanding the behavior of interacting electrons in molecules and solids so that one can predict new superconductors, catalysts, light harvesters, energy and battery materials and optimize existing ones is the ``quantum many-body problem’’. This is one of the scientific grand challenges of the 21st century. A complete solution to the problem has been proven to be exponentially hard, meaning that straightforward numerical approaches fail. New insights and new methods are needed to provide accurate yet feasible approximate solutions. This CMSCN project brought together chemists and physicists to combine insights from the two disciplines to develop innovative new approaches. Outcomes included the Density Matrix Embedding method, a new, computationally inexpensive and extremely accurate approach that may enable first principles treatment of superconducting and magnetic properties of strongly correlated materials, new techniques for existing methods including an Adaptively Truncated Hilbert Space approach that will vastly expand the capabilities of the dynamical mean field method, a self-energy embedding theory and a new memory-function based approach to the calculations of the behavior of driven systems. The methods developed under this project are now being applied to improve our understanding of superconductivity, to calculate novel topological properties of materials and to characterize and improve the properties of nanoscale devices.

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

    PubMed

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

    2015-09-18

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

  7. 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

  8. 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.

  9. Solution and Solid State Chemistry of Dimolybdenum Fluoroacetates with Ethylenediamine Derivatives

    NASA Astrophysics Data System (ADS)

    Snowden, Kevin Joseph

    CHF _2{CO}_2 groups. Tmed produces species containing no bridging CHF_2 {CO}_2 although starting material remains in solution.

  10. Carbon-Based Functional Materials Derived from Waste for Water Remediation and Energy Storage.

    PubMed

    Ma, Qinglang; Yu, Yifu; Sindoro, Melinda; Fane, Anthony G; Wang, Rong; Zhang, Hua

    2017-04-01

    Carbon-based functional materials hold the key for solving global challenges in the areas of water scarcity and the energy crisis. Although carbon nanotubes (CNTs) and graphene have shown promising results in various fields of application, their high preparation cost and low production yield still dramatically hinder their wide practical applications. Therefore, there is an urgent call for preparing carbon-based functional materials from low-cost, abundant, and sustainable sources. Recent innovative strategies have been developed to convert various waste materials into valuable carbon-based functional materials. These waste-derived carbon-based functional materials have shown great potential in many applications, especially as sorbents for water remediation and electrodes for energy storage. Here, the research progress in the preparation of waste-derived carbon-based functional materials is summarized, along with their applications in water remediation and energy storage; challenges and future research directions in this emerging research field are also discussed.

  11. 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.

  12. Physics and Chemistry of Advanced Nanoscale Materials: Experiment, Simulation, and Theory

    NASA Astrophysics Data System (ADS)

    Kiang, Ching-Hwa

    1995-01-01

    This thesis discusses simulation and theory of lattice dynamics as well as experiments on novel forms of carbon. A new crystalline AgBr interaction potential was constructed by fitting literature experimental data. The shell model was successfully used to account for the polarizabilities of the ions. This approach overcame difficulties previous investigators faced in determining the AgBr potential. The very useful shell model was generalized to allow, for the first time, its use in dynamical simulations. The rapid shell dynamics, simulating the electron polarization, were integrated out in a generalized Born-Oppenheimer-like approach. The effective Hamiltonians were derived for both quantum and classical descriptions of the shells. The first crystallization and characterization of a metallofullerene were performed. Endohedral metallofullerenes were synthesized and characterized. Metals such as Sc, Y, and Er that formed stable compounds in fullerene cages were synthesized and products purified. The crystal structure of rm Sc_2C_{84} was determined by transmission electron microscopy study. Experimental studies on fullerenes and related materials lead to the first example of a catalytically -grown, fullerene-like material. We discovered that single -layer carbon nanotubes can be produced by vaporizing cobalt and carbon with an electric arc in a helium atmosphere. Catalyst promoters such as sulfur, bismuth, and lead were found not only to enhance the yield of single-layer nanotubes but also to produce tubes in a diameter range not accessible with cobalt alone. Sulfur, bismuth, and tungsten were found to catalyze the formation of cobalt crystals encapsulated in graphitic polyhedra. Various carbon structures were also produced concurrently, e.g. multilayer nanotubes, strings of carbon nanocompartments, carbon nanofibers, and metal-filled nanomaterials. Nanotubes were observed to undergo real-time structural changes under electron beam heating. A growth model of single

  13. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2009-06-01

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

  15. Sewage sludge-derived materials as efficient adsorbents for removal of hydrogen sulfide.

    PubMed

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

    2001-04-01

    Sewage sludge-derived materials were used as adsorbents of hydrogen sulfide from moist air. The adsorbent obtained by carbonization at 950 degrees C has a capacity twice of that of coconut-shell-based activated carbon. The capacity of the sludge-derived materials increases with increasing carbonization temperature. It is likelythatduring carbonization at 950 degrees C a mineral-like phase is formed that consists of such catalytically active metals as iron, zinc, and copper. The results obtained demonstrate that the presence of iron oxide significantly increases the capacity of commercial carbon and activated alumina. The sludge-derived adsorbents are efficient for hydrogen sulfide removal until the pore entrances are blocked with sulfur as the product of oxidation reaction. For materials in which the catalytic effect is predominant, hydrogen sulfide is adsorbed until all pores are filled with sulfur. There is also indication that chemisorption plays a significant role in the removal of hydrogen sulfide from moist air.

  16. Radiolytic Damage to Genetic Material.

    ERIC Educational Resources Information Center

    Ward, John F.

    1981-01-01

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

  17. 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

  18. Supramolecular Chemistry in Microflow Fields: Toward a New Material World of Precise Kinetic Control.

    PubMed

    Numata, Munenori

    2015-12-01

    Constructing new and versatile self-assembling systems in supramolecular chemistry is much like the development of new reactions or new catalysts in synthetic organic chemistry. As one such new technology, conventional supramolecular assembly systems have been combined with microflow techniques to control intermolecular or interpolymer interactions through precise regulation of a flowing self-assembly field. The potential of the microflow system has been explored by using various simple model compounds. Uniform solvent diffusion in the microflow leads to rapid activation of molecules in a nonequilibrium state and, thereby, enhanced interactions. All of these self-assembly processes begin from a temporally activated state and proceed in a uniform chemical environment, forming a synchronized cluster and resulting in effective conversion to supramolecules, with precise tuning of molecular (or polymer) interactions. This approach allows the synthesis of a variety of discrete microstructures (e.g., fibers, sheets) and unique supramolecules (e.g., hierarchical assemblies, capped fibers, polymer networks, supramolecules with time-delayed action) that have previously been inaccessible.

  19. 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.

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

    PubMed

    Wagner, Rachelle R; Ball, David W

    2011-11-01

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

  1. 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.

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

    NASA Technical Reports Server (NTRS)

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

    1976-01-01

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

  3. Surface and interfacial chemistry of high-k dielectric and interconnect materials on silicon

    NASA Astrophysics Data System (ADS)

    Kirsch, Paul Daniel

    Surfaces and interfaces play a critical role in the manufacture and function of silicon based integrated circuits. It is therefore reasonable to study the chemistries at these surfaces and interfaces to improve existing processes and to develop new ones. Model barium strontium titanate high-k dielectric systems have been deposited on ultrathin silicon oxynitride in ultrahigh vacuum. The resulting nanostructures are characterized with secondary ion mass spectroscopy (SIMS) and X-ray photoelectron spectroscopy (XPS). An interfacial reaction between Ba and Sr atoms and SiOxNy was found to create silicates, BaSixOy or SrSi xOy. Inclusion of N in the interfacial oxide decreased silicate formation in both Ba and Sr systems. Furthermore, inclusion of N in the interfacial oxide decreased the penetration of Ba and Sr containing species, such as silicides and silicates. Sputter deposited HfO2 was studied on nitrided and unnitrided Si(100) surfaces. XPS and SIMS were used to verify the presence of interfacial HfSixOy and estimate its relative amount on both nitrided and unnitrided samples. More HfSixOy formed without the SiNx interfacial layer. These interfacial chemistry results are then used to explain the electrical measurements obtained from metal oxide semiconductor (MOS) capacitors. MOS capacitors with interfacial SiNx exhibit reduced leakage current and increased capacitance. Lastly, surface science techniques were used to develop a processing technique for reducing thin films of copper (II) and copper (I) oxide to copper. Deuterium atoms (D*) and methyl radicals (CH3*) were shown to reduce Cu 2+ and/or Cu1+ to Cu0 within 30 min at a surface temperature of 400 K under a flux of 1 x 1015 atoms/cm2s. Temperature programmed desorption experiments suggest that oxygen leaves the surface as D2O and CO2 for the D* and CH3* treated surfaces, respectively.

  4. 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.

  5. Hexaazatrinaphthylene derivatives: Efficient electron-transporting materials with tunable energy levels for inverted perovskite solar cells

    DOE PAGES

    Zhao, Dongbing; Zhu, Zonglong; Kuo, Ming -Yu; ...

    2016-06-08

    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. Furthermore, this study provides one of the first nonfullerene small-moleculebased ETMs for high-performance p–i–n PVSCs.

  6. Self-assembly made durable: water-repellent materials formed by cross-linking fullerene derivatives.

    PubMed

    Wang, Jiaobing; Shen, Yanfei; Kessel, Stefanie; Fernandes, Paulo; Yoshida, Kaname; Yagai, Shiki; Kurth, Dirk G; Möhwald, Helmuth; Nakanishi, Takashi

    2009-01-01

    Fullerene flakes: A diacetylene-functionalized fullerene derivative self-organizes into flakelike microparticles (see picture). Both the diacetylene and C(60) moieties can be effectively cross-linked, which leads to supramolecular materials with remarkable resistivity to solvent, heat, and mechanical stress. Moreover, the surface of the cross-linked flakelike objects is highly durable and water-repellent.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. Chemistry as a prism: a review of light-emitting materials having tunable emission wavelengths.

    PubMed

    Kim, Eunha; Park, Seung Bum

    2009-11-02

    Photoluminescent materials have been extensively applied in various fields of science because of their numerous advantages, such as excellent sensitivity, good specificity, a large linear range of analysis, ease of handling, and so on. Many strategies have been used to understand and manipulate the photophysical properties of photoluminescent materials. This Focus Review describes recent progress focused on tuning the photophysical properties, especially the emission wavelengths of pi-conjugated oligomers, photoluminescent organometallic complexes, and fluorescent organic dyes by chemical modification.

  14. Gap Fill Materials Using Cyclodextrin Derivatives in ArF Lithography

    NASA Astrophysics Data System (ADS)

    Takei, Satoshi; Shinjo, Tetsuya; Sakaida, Yasushi; Hashimoto, Keisuke

    2007-11-01

    High planarizing gap fill materials based on β-cyclodextrin in ArF photoresist under-layer materials have been developed for fast etching in CF4 gas. Gap fill materials used in the via-first dual damascene process need to have high etch rates to prevent crowning or fencing on top of the trench after etching and a small thickness bias between the dense and blanket areas to minimize issues observed during trench lithography by narrowing the process latitude. Cyclodextrin is a circular oligomer with a nanoscale porous structure that has a high number of oxygen atoms, as calculated using the Ohnishi parameter, providing high etch rates. Additionally, since gap fill materials using cyclodextrin derivatives have low viscosities and molecular weights, they are expected to exhibit excellent flow properties and minimal thermal shrinkage during baking. In this paper, we describe the composition and basic film properties of gap fill materials; planarization in the via-first dual damascene process and etch rates in CF4 gas compared with dextrin with α-glycoside bonds in polysaccharide, poly(2-hydroxypropyl methacrylate) and poly(4-hydroxystyrene). The β-cyclodextrin used in this study was obtained by esterifying the hydroxyl groups of dextrin resulting in improved wettability on via substrates and solubility in photoresist solvents such as propylene glycol monomethyl ether, propylene glycol monomethyl ether acetate and ethyl lactate. Gap fill materials using cyclodextrin derivatives showed good planarization and via filling performance without observing voids in via holes. In addition to superior via filling performance, the etch rate of gap fill materials using β-cyclodextrin derivatives was 2.8-2.9 times higher than that of an ArF photoresist, evaluated under CF4 gas conditions by reactive ion etching. These results were attributed to the combination of both nanoscale porous structures and a high density of oxygen atoms in our gap fill materials using cyclodextrin

  15. Phase transitions and phase miscibility of mixed particles of ammonium sulfate, toluene-derived secondary organic material, and water.

    PubMed

    Smith, Mackenzie L; You, Yuan; Kuwata, Mikinori; Bertram, Allan K; Martin, Scot T

    2013-09-12

    The phase states of atmospheric particles influence their roles in physicochemical processes related to air quality and climate. The phases of particles containing secondary organic materials (SOMs) are still uncertain, especially for SOMs produced from aromatic precursor gases. In this work, efflorescence and deliquescence phase transitions, as well as phase separation, in particles composed of toluene-derived SOM, ammonium sulfate, and water were studied by hygroscopic tandem differential mobility analysis (HTDMA) and optical microscopy. The SOM was produced in the Harvard Environmental Chamber by photo-oxidation of toluene at chamber relative humidities of <5 and 40%. The efflorescence and deliquescence relative humidities (ERH and DRH, respectively, studied by HTDMA) of ammonium sulfate decreased as the SOM organic fraction ε in the particle increased, dropping from DRH = 80% and ERH = 31% for ε = 0.0 to DRH = 58% and ERH = 0% for ε = 0.8. For ε < 0.2, the DRH and ERH to first approximation did not change with the organic volume fraction. This observation is consistent with independent behaviors for ε < 0.2 of water-infused toluene-derived SOM and aqueous ammonium sulfate, suggesting phase immiscibility between the two. Optical microscopy of particles prepared for ε = 0.12 confirmed phase separation for RH < 85%. For ε from 0.2 to 0.8, the DRH and ERH values steadily decreased, as studied by HTDMA. This result is consistent with one-phase mixing of ammonium sulfate, SOM, and water. Optical microscopy for particles of ε = 0.8 confirmed this result. Within error, increased exposure times of the aerosol in the HTDMA from 0.5 to 30 s affected neither the ERH(ε) nor DRH(ε) curves, implying an absence of kinetic effects on the observations over the studied time scales. For ε > 0.5, the DRH values of ammonium sulfate in mixtures with SOM produced at <5% RH were offset by -3 to -5% RH compared to the results for SOM produced at 40% RH, suggesting differences

  16. 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.

  17. Small molecule signaling agents: the integrated chemistry and biochemistry of nitrogen oxides, oxides of carbon, dioxygen, hydrogen sulfide, and their derived species.

    PubMed

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

    2012-04-16

    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.

  18. 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.

  19. 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.

  20. Quality improvement of acidic soils by biochar derived from renewable materials.

    PubMed

    Moon, Deok Hyun; Hwang, Inseong; Chang, Yoon-Young; Koutsospyros, Agamemnon; Cheong, Kyung Hoon; Ji, Won Hyun; Park, Jeong-Hun

    2017-02-01

    Biochar derived from waste plant materials and agricultural residues was used to improve the quality of an acidic soil. The acidic soil was treated for 1 month with both soy bean stover-derived biochar and oak-derived biochar in the range of 1 to 5 wt% for pH improvement and exchangeable cation enhancement. Following 1 month of treatment, the soil pH was monitored and exchangeable cations were measured. Moreover, a maize growth experiment was performed for 14 days with selected treated soil samples to confirm the effectiveness of the treatment. The results showed that the pH of the treated acidic soil increased by more than 2 units, and the exchangeable cation values were greatly enhanced upon treatment with 5 wt% of both biochars, after 1 month of curing. Maize growth was superior in the 3 wt% biochar-treated samples compared to the control sample. The presented results demonstrate the effective use of biochar derived from renewable materials such as waste plant materials and agricultural residues for quality improvement of acidic soils.

  1. Graphene and its derivatives as versatile templates for materials synthesis and functional applications.

    PubMed

    Quan, Quan; Lin, Xin; Zhang, Nan; Xu, Yi-Jun

    2017-02-16

    The obvious incongruity between the increasing depletion of fossil fuel and the finite amount of resources has motivated us to seek means to maintain sustainability in our society. Developing renewable and highly efficient energy conversion and storage systems represents one of the most promising and viable methods. Although the efficiency of energy conversion and storage devices depends on various factors, their overall performances strongly rely on the structure and functional properties of materials. Graphene and its derivatives as versatile templates for materials synthesis have garnered widespread interest because of their flexible capability to tune the morphology and structure of functional materials. Herein, we have demonstrated recent progress on graphene and its derivatives as versatile templates for materials synthesis, particularly highlighting the basic fundamental roles of graphene in the materials preparation process. Then, a concise overview of the functional applications of materials obtained from graphene-templated approaches has been presented with a few selected examples to show the wide scope of potential in energy storage and conversion. Finally, a brief perspective and potential future challenges in this burgeoning research area have been discussed.

  2. Entrapment of fluorescence signaling DNA enzymes in sol-gel-derived materials for metal ion sensing.

    PubMed

    Shen, Yutu; Mackey, Gillian; Rupcich, Nicholas; Gloster, Darin; Chiuman, William; Li, Yingfu; Brennan, John D

    2007-05-01

    Three fluorescence signaling DNA enzymes (deoxyribozymes or DNAzymes) were successfully immobilized within a series of sol-gel-derived matrixes and used for sensing of various metal ions. The DNAzymes are designed such that binding of appropriate metal ions induces the formation of a catalytic site that cleaves a ribonucleotide linkage within a DNA substrate. A fluorophore (fluorescein) and a quencher (DABCYL, [4-(4-dimethylaminophenylazo)benzoic acid]) were placed on the two deoxythymidines flanking the ribonucleotide to allow the generation of fluorescence upon the catalytic cleavage at the RNA linkage. In general, all DNAzymes retained at least partial catalytic function when entrapped in either hydrophilic or hydrophobic silica-based materials, but displayed slower response times and lower overall signal changes relative to solution. Interestingly, it was determined that maximum sensitivity toward metal ions was obtained when DNAzymes were entrapped into composite materials containing approximately 40% of methyltrimethoxysilane (MTMS) and approximately 60% tetramethoxysilane (TMOS). Highly polar materials derived from sodium silicate, diglycerylsilane, or TMOS had relatively low signal enhancements, while materials with very high levels of MTMS showed significant leaching and low signal enhancements. Entrapment into the hybrid silica material also reduced signal interferences that were related to metal-induced quenching; such interferences were a significant problem for solution-based assays and for polar materials. Extension of the solid-phase DNAzyme assay toward a multiplexed assay format for metal detection is demonstrated, and shows that sol-gel technology can provide new opportunities for the development of DNAzyme-based biosensors.

  3. 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

  4. 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…

  5. Rheological characterization of hyaluronic acid derivatives as injectable materials toward nucleus pulposus regeneration.

    PubMed

    Gloria, Antonio; Borzacchiello, Assunta; Causa, Filippo; Ambrosio, Luigi

    2012-02-01

    Nucleus pulposus (NP) is the soft center of the intervertebral disc (IVD), able to resist compressive loads, while the annulus fibrosus withstands tension and gives mechanical strength. NP function may be altered as consequence of several pathologies or injury and when a damaged IVD does not properly play its role. In the past years, a great effort has been devoted to the design of injectable systems as NP substitutes. The different synthetic- and natural hydrogel-based materials proposed, present many drawbacks and, in particular, they do not seem to mimic the required behavior. In the search for natural-based systems a dodecylamide of hyaluronic acid (HA), HYADD3®, has been proved as bioactive and suitable vehicle to carry cells for NP tissue engineering, while a crosslinked HA ester, HYAFF120® showed interesting results if used as injectable acellular material. Even though these derivatives showed appropriate biological behavior up to now, data on mechanical behavior of these derivatives are still missing. In this frame, the aim of this study was to provide a rheological characterization of these HA derivatives to asses their biomechanical compatibility with the NP tissue. To this, the rheological properties of these derivatives were studied through dynamic shear tests before and after injection through needles used in the current surgical procedure. Both HA derivatives showed a 'gel-like' rheological behavior similar to the native NP tissue and this behavior was not altered by injection.

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

    SciTech Connect

    Lindle, Dennis W.

    2011-04-21

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

  7. The physics and chemistry of metal oxide composites as anode materials for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Courtney, Ian Anthony

    Tin oxide composite (SnO:X, X = (B2O3)x(P 2O5)y, SiO2) glasses represent a new class of material for the anode of lithium-ion rechargeable cells. These materials demonstrate discharge capacities on the order of 1000 mAh/(g Sn), which is consistent with the alloying limit of 4.4 Li atoms per Sn atom. These materials also demonstrate significant irreversible capacities, which is proportional to the oxygen content (i.e., O in SnO:X). It is shown (by electrochemical data, in-situ x-ray diffraction studies and in-situ Mossabuer effect studies) that during the first discharge, the oxygen intimately bonded to Sn reacts with lithium to give Li2O, leaving small clusters of metallic Sn that subsequently alloy with lithium. The Li2O and X atoms (collectively known as 'Spectator Atoms') are inert to lithium. The subsequent cycling, or reversibility, of these materials is linked to the size of the Sn clusters that form during the first discharge. Those materials with high spectator atom count (as in SnO:(B2O3 )0.5(P2O5)0.5 glass) produce smaller Sn clusters during first discharge than those materials with low spectator atom count (as in SnO:(B2O3)0.1(P2O 5)0.l glass). Furthermore, it is observed that these Sn clusters grow in size by the repeated discharge and charge of the cell. This explains the capacity loss in these types of materials after many cycles. The size of the Sn clusters reach a steady state size, and a speculative model that links the steady state cluster size to the number of spectator atoms is proposed. The rate of aggregation of Sn clusters can be controlled by several factors: the voltage range chosen for discharge and charge, the number of spectator atoms in the matrix, and the temperature. Studies of other alloying metal oxide composites (i.e., PbO:X and Sb2O3:X) are also presented. These materials follow a similar reaction mechanism as SnO:X composites do, but the rate of aggregation of the alloying metal differs between all three.

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

    PubMed

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

    2014-06-24

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

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

    PubMed

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

    2009-03-09

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

  11. 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...

  12. The use of Novel Precursor Chemistry for Synthesis of Superhard Materials

    DTIC Science & Technology

    2007-11-02

    isoelectronic to carbon (i.e. the number of valence electrons per atom is four) or related to Si3N4. The ultimate goal is to investigate their use in high...pressure or laser ablation synthesis of extremely dense, superhard materials of the same composition that have structures and properties related to those of diamond.

  13. Saccharin Derivative Synthesis via [1,3] Thermal Sigmatropic Rearrangement: A Multistep Organic Chemistry Experiment for Undergraduate Students

    ERIC Educational Resources Information Center

    Fonseca, Custódia S. C.

    2016-01-01

    Saccharin (1,2-benzisothiazole-3-one 1,1-dioxide) is an artificial sweetener used in the food industry. It is a cheap and easily available organic compound that may be used in organic chemistry laboratory classes for the synthesis of related heterocyclic compounds and as a derivatizing agent. In this work, saccharin is used as a starting material…

  14. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

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

  15. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

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

  16. 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)

  17. A new generation of bio-derived ceramic materials for medical applications.

    PubMed

    González, P; Borrajo, J P; Serra, J; Chiussi, S; León, B; Martínez-Fernández, J; Varela-Feria, F M; de Arellano-López, A R; de Carlos, A; Muñoz, F M; López, M; Singh, M

    2009-03-01

    A new generation of bio-derived ceramics can be developed as a base material for medical implants. Specific plant species are used as templates on which innovative transformation processes can modify the chemical composition maintaining the original biostructure. Building on the outstanding mechanical properties of the starting lignocellulosic templates, it is possible to develop lightweight and high-strength scaffolds for bone substitution. In vitro and in vivo experiments demonstrate the excellent biocompatibility of this new silicon carbide material (bioSiC) and how it gets colonized by the hosting bone tissue because of its unique interconnected hierarchic porosity, which opens the door to new biomedical applications.

  18. Chemistry and electrochemistry of composite LiFePO4 materials for secondary lithium batteries

    NASA Astrophysics Data System (ADS)

    Franger, S.; Benoit, C.; Bourbon, C.; Le Cras, F.

    2006-05-01

    In this paper, we report some practical data concerning the electrochemical behaviour of composite lithium iron phosphates, at higher rates of charge discharge, at lower operating temperatures and during long cycle life tests. These results were collected on composite LiFePO4 powders (whose submicrometer particles were coated by carbon or boron-based wraps), all obtained from optimized syntheses using mechanochemical activation of an iron (II) precursor as main starting material.

  19. Insights into microstructure and chemistry of active fiber core material produced by the granulated silica method

    NASA Astrophysics Data System (ADS)

    Najafi, H.; Etissa, D.; Romano, V.

    2014-05-01

    The production of special fibers relies on new methods and materials to incorporate new functionalities into optical fibers by virtues of dopants and structure. In particular, the granulated silica method allows to rapidly produce active fibers with high dopant content and with virtually any microstructure. The implementation of this production method requires a multitude of process steps at various temperatures and temperature gradients that can significantly influence the optical properties of the produced preforms and fibers. To better understand and optimize the processes of active material production and fiber drawing parameters we have done a thorough analysis of microstructure, phase development, crystallinity and chemical mapping of active fiber cores produced by a combination of sol-gel process and granulated silica method with and without employment of a CO2 laser treatment. The microstructure of fibers have been analyzed with a diverse suite of techniques in Transmission Electron Microscopy (TEM), revealing formation of various silica polymorphs and distribution of active elements (i.e. Yb and P) into the core structure. Our results show the presence of another polymorph of silica with low crystallinity dispersed in the main amorphous polymorph (i.e. quartz). We conclude that in spite of importance of homogeneous distribution of Yb and P into the core, the formation of various silica polymorphs resulting from materials processing has to be considered.

  20. Luminescent liquid crystalline materials based on palladium(II) imine derivatives containing the 2-phenylpyridine core.

    PubMed

    Micutz, Marin; Iliş, Monica; Staicu, Teodora; Dumitraşcu, Florea; Pasuk, Iuliana; Molard, Yann; Roisnel, Thierry; Cîrcu, Viorel

    2014-01-21

    In this work we report our studies concerning the synthesis and characterisation of a series of imine derivatives that incorporate the 2-phenylpyridine (2-ppy) core. These derivatives were used in the cyclometalating reactions of platinum(II) or palladium(II) in order to prepare several complexes with liquid crystalline properties. Depending on the starting materials used as well as the solvents employed, different metal complexes were obtained, some of them showing both liquid crystalline behaviour and luminescence properties at room temperature. It was found that, even if there are two competing coordination sites, the cyclometalation process takes place always at the 2-ppy core with (for Pt) or without (for Pd) the imine bond cleavage. We successfully showed that it is possible to prepare emissive room temperature liquid crystalline materials based on double cyclopalladated heteroleptic complexes by varying the volume fraction of the long flexible alkyl tails on the ancillary benzoylthiourea (BTU) ligands.

  1. Synthesis of triple-bond-containing 1-hydroxy-1,1-bisphosphonic acid derivatives to be used as precursors in "click" chemistry: two examples.

    PubMed

    Turhanen, Petri A

    2014-07-03

    The synthesis of novel (ω-alkynyl-1-hydroxy-1,1-diyl)bisphosphonic acid tetramethyl esters (1a-c), their P,P'-dimethyl esters (2a-c), and two trimethyl ester derivatives (3a and 3b) is reported. The prepared compounds can be attached to many kinds of molecules containing azide (-N3) functionalities using a "click" chemistry approach. As an example, bisphosphonate trimethyl ester 3a and P,P'-dimethyl ester 2b were attached to triethylene glycol to form triethylene glycol-bisphosphonate conjugates 4 and 5 as model compounds for further studies in, for example, nanoparticle targeting.

  2. 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

  3. [Corrosion behaviour, metal release and biocompatibility of implant materials coated by TiO2-sol gel chemistry].

    PubMed

    Hoffmann, B; Kokott, A; Shafranska, O; Detsch, R; Winter, S; Eisenbarth, E; Peters, K; Breme, J; Kirkpatrick, C J; Ziegler, G

    2005-10-01

    Alloys based on titanium or cobalt have been used as implant materials for decades with good success. Because of their natural oxide layer these alloys reveal good corrosion behaviour. In contact with physiological solution metal release takes place, which can cause inflammation. Coatings can improve the corrosion behaviour. In this study Ti6Al4V and Co28Cr6Mo alloys, which are frequently used as implant materials, were tested. Polished discs of these alloys and polished discs, which were coated with TiO2-layers by sol-gel chemistry, were compared regarding their corrosion behaviour and metal ion releasing. The releasing of Al, V, Ti, Co, Cr and Mo was quantified by ICP-MS analysis. The TiO2-coating reduced the release of all ions except of the Al-ion. Both alloys showed a deviating kinetic of ion releasing. In addition, cell response (cell vitality, cell proliferation, endothelial marker CD31 and actin allocation) of osteoblasts and endothelial cells were investigated.

  4. Development of a Core-Course for College Science Majors Combining Material from Introductory Courses in Biology, Chemistry, and Physics-Phase II. Final Report.

    ERIC Educational Resources Information Center

    Pickar, Arnold D.

    Reported is the second phase of the development of a two-year college core science course for science majors. Materials were combined from introductory college courses in biology, chemistry, and physics. A revised lecture and laboratory syllabus was prepared incorporating improvements suggested after a pilot study of the first year course.…

  5. 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.

  6. 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.

  7. Green Chemistry and Education.

    ERIC Educational Resources Information Center

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

    2000-01-01

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

  8. 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

  9. 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.

  10. Laser-shocked energetic materials with metal additives: evaluation of chemistry and detonation performance.

    PubMed

    Gottfried, Jennifer L; Bukowski, Eric J

    2017-01-20

    A focused, nanosecond-pulsed laser has been used to ablate, atomize, ionize, and excite milligram quantities of metal-doped energetic materials that undergo exothermic reactions in the laser-induced plasma. The subsequent shock wave expansion in the air above the sample has been monitored using high-speed schlieren imaging in a recently developed technique, laser-induced air shock from energetic materials (LASEM). The method enables the estimation of detonation velocities based on the measured laser-induced air-shock velocities and has previously been demonstrated for organic military explosives. Here, the LASEM technique has been extended to explosive formulations with metal additives. A comparison of the measured laser-induced air-shock velocities for TNT, RDX, DNTF, and LLM-172 doped with Al or B to the detonation velocities predicted by the thermochemical code CHEETAH for inert or active metal participation demonstrates that LASEM has potential for predicting the early time (<10  μs) participation of metal additives in detonation events. The LASEM results show that while Al is mostly inert at early times in the detonation event (confirmed from large-scale detonation testing), B is active-and reducing the amount of hydrogen present during the early chemical reactions increases the resulting estimated detonation velocities.

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

    PubMed

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

    2014-10-21

    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 ˙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 sp(2)-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 sp(3)-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.

  12. 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.

  13. 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

  14. 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

  15. 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.

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

    PubMed

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

    2014-08-01

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

  17. 2012 Gordon Research Conference on Graphitic Carbon Materials, Chemistry and Physics of - Formal Schedule and Speaker/Poster Program

    SciTech Connect

    Fertig, Herbert A.

    2012-06-22

    The Gordon Research Conference on GRAPHITIC CARBON MATERIALS, CHEMISTRY AND PHYSICS OF was held at the Davidson College, Davidson, North Carolina, June 17 – 22, 2012. The Conference was well-attended with 95 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. Of the 95 attendees, 41 voluntarily responded to a general inquiry regarding ethnicity which appears on our registration forms. Of the 41 respondents, 49% were Minorities – 5% Hispanic, 44% Asian and 0% African American. Approximately 2% of the participants at the 2012 meeting were women. In designing the formal speakers program, emphasis was placed on current unpublished research and discussion of the future target areas in this field. There was a conscious effort to stimulate lively discussion about the key issues in the field today. Time for formal presentations was limited in the interest of group discussions. In order that more scientists could communicate their most recent results, poster presentation time was scheduled. Attached is a copy of the formal schedule and speaker program and the poster program. In addition to these formal interactions, "free time" was scheduled to allow informal discussions. Such discussions are fostering new collaborations and joint efforts in the field. Carbon materials play an extremely important role in our society. They not only constitute the largest supply of energy we use today (i.e., coal) but also are the bases of many important technologies ranging from pencils, adsorbents, and metal strengtheners, to batteries and many others. Recent studies on graphitic carbon, including fullerenes, carbon nanotubes, and graphene, have further revealed novel optical and electrical properties, making it possible to use them for new applications in renewable energy as well as

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. Theoretical and Materials Chemistry of Some Group III and V Elements

    NASA Astrophysics Data System (ADS)

    Glass, John Arthur, Jr.

    The theoretical and material aspects of some group III and V compounds have been investigated. Phosphaborane clusters were investigated by modified neglect of differential overlap semi-empirical molecular orbital calculations (MNDO -SCF) to better understand important structural, electronic, and thermodynamic properties of these experimentally difficult species. The structural, thermodynamic and electronic properties of 111 phosphapentaborane cluster compounds have been calculated via MNDO-SCF. The geometry-optimized, minimum energy structures for all of the known and structurally characterized phosphaborane systems have been calculated. In each case, exceptionally good agreement was observed between the experimentally determined and the calculated structural parameters. Calculations for five classes of phosphapentaborane clusters have been completed and have been related to experimentally proposed structural types. Predictions concerning structural and chemical reactivities for unknown and known phosphapentaborane compounds have been made based on these MO calculations. Production of important thin film materials was discussed relative to chemical vapor deposition (CVD). Advantages of CVD over older thermodynamic deposition techniques were described. The CVD process has been briefly reviewed through seven primary steps. The importance of new source materials which meet stringent industrial requirements have been detailed relative to environmental, occupational safety, and contaminations considerations. Thin films of pure aluminum, aluminum boride and aluminum oxide have been prepared from the chemical vapor deposition (CVD) of rm Al(BH_4)_3, and rm AlH_2(BH_4) cdot N(CH_3)_3, on both single crystals and thermally sensitive substrates. Films were characterized by EDX, AES, SEM, XRD, and resistivity measurements and ranged in thickness from 500 A to 2 mu m. Each type of film was shown by AES to be compositionally uniform in the bulk sample with only very shallow

  3. 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

  4. 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

  5. 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.

  6. Evaluation of soils for use as liner materials: a soil chemistry approach.

    PubMed

    DeSutter, Tom M; Pierzynski, Gary M

    2005-01-01

    Movement of NH(4)(+) below animal waste lagoons is generally a function of the whole-lagoon seepage rate, soil mineralogy, cations in the lagoon liquor, and selectivity for NH(4)(+) on the soil-exchange sites. Binary exchange reactions (Ca(2+)-K(+), Ca(2+)-NH(4)(+), and K(+)-NH(4)(+)) were conducted on two soils from the Great Plains and with combinations of these soils with bentonite or zeolite added. Binary exchanges were used to predict ternary exchanges Ca(2+)-K(+)-NH(4)(+) following the Rothmund-Kornfeld approach and Gaines-Thomas convention. Potassium and NH(4)(+) were preferred over Ca(2+), and K(+) was preferred over NH(4)(+) in all soils and soils with amendments. Generally, the addition of bentonite did not change cation selectivity over the native soils, whereas the addition of zeolite did. The Rothmund-Kornfeld approach worked well for predicting equivalent fractions of cations on the exchanger phase when only ternary-solution phase compositions were known. Actual swine- and cattle-lagoon solution compositions and the Rothmund-Kornfeld approach were used to project that native soils are predicted to retain 53 and 23%, respectively, of the downward-moving NH(4)(+) on their exchange sites. Additions of bentonite or zeolite to soils under swine lagoons may only slightly improve the equivalent fraction of NH(4)(+) on the exchange sites. Although additions of bentonite or zeolite may not help increase the NH(4)(+) selectivity of a liner material, increases in the overall cation exchange capacity (CEC) of a soil will ultimately decrease the amount of soil needed to adsorb downward-moving NH(4)(+).

  7. 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.

  8. Science Education and the Material Culture of the Nineteenth-Century Classroom: Physics and Chemistry in Spanish Secondary Schools

    NASA Astrophysics Data System (ADS)

    Simon, Josep; Cuenca-Lorente, Mar

    2010-04-01

    Although a large number of Spanish secondary schools have preserved an important scientific heritage, including large scientific instrument collections, this heritage has never been officially protected. Their current state is very diverse, and although several research projects have attempted to initiate their recovery and use, their lack of coordination and wide range of methodological approaches has limited their impact. This paper presents a case-study integrated in a new project supported by the Catalan Scientific Instrument Commission (COMIC) whose final aim is the establishment of a research hub for the preservation, study and use of Spanish scientific instrument collections. Major aims in this project are promoting a better coordination of Spanish projects in this field, and furthering international research on science pedagogy and the material culture of science. The major focus of COMIC is currently the recovery of secondary school collections. This paper provides first, a historical account of the development of secondary education in Spain, and the contemporary establishment of physics and chemistry school collections. Second, we focus on a case-study of three Spanish schools (Valencia, Castellón, and Alicante). Finally, we provide a brief overview of current projects to preserve Spanish school collections, and discuss how COMIC can contribute to help to coordinate them, and to take a step forward interdisciplinary research in this context.

  9. Room-temperature Electrochemical Synthesis of Carbide-derived Carbons and Related Materials

    SciTech Connect

    Gogotsi, Yury

    2015-02-28

    This project addresses room-temperature electrochemical etching as an energy-efficient route to synthesis of 3D nanoporous carbon networks and layered 2D carbons and related structures, as well as provides fundamental understanding of structure and properties of materials produced by this method. Carbide-derived-carbons (CDCs) are a growing class of nanostructured carbon materials with properties that are desirable for many applications, such as electrical energy and gas storage. The structure of these functional materials is tunable by the choice of the starting carbide precursor, synthesis method, and process parameters. Moving from high-temperature synthesis of CDCs through vacuum decomposition above 1400°C and chlorination above 400°C, our studies under the previous DOE BES support led to identification of precursor materials and processing conditions for CDC synthesis at temperatures as low as 200°C, resulting in amorphous and highly reactive porous carbons. We also investigated synthesis of monolithic CDC films from carbide films at 250-1200°C. The results of our early studies provided new insights into CDC formation, led to development of materials for capacitive energy storage, and enabled fundamental understanding of the electrolyte ions confinement in nanoporous carbons.

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

    PubMed

    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.

  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. 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

  13. 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…

  14. Inhibition of bacterial motility and spreading via release of cranberry derived materials from silicone substrates.

    PubMed

    Chan, Michelle; Hidalgo, Gabriela; Asadishad, Bahareh; Almeida, Sergio; Muja, Naser; Mohammadi, Maziar Shah; Nazhat, Showan N; Tufenkji, Nathalie

    2013-10-01

    The motility of bacteria plays a key role in their colonization of surfaces during infection. Derivatives of cranberry fruit have been shown to interfere with bacterial motility. Herein, we report on the incorporation of cranberry derived materials (CDMs) into silicone substrates with the aim of impairing bacterial pathogen motility and spreading on the substrate surface. The release of CDMs from the silicone substrates when soaking in an aqueous medium was quantified for a period of 24h. Next, we showed that CDMs released from two silicone substrates remain bioactive as they downregulate the expression of the flagellin gene of two key uropathogens - Escherichia coli CFT073 and Proteus mirabilis HI4320. Furthermore, we demonstrate that CDM-modified silicone inhibits the swarming motility of P. mirabilis, an aggressive swarmer. The bioactive, CDM-modified substrates can find broad applications in the medical device and food industries where the impairment of bacterial colonization of surfaces is of paramount importance.

  15. [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.

  16. 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.

  17. Structure - Property Relationships of Furanyl Thermosetting Polymer Materials Derived from Biobased Feedstocks

    NASA Astrophysics Data System (ADS)

    Hu, Fengshuo

    Biobased thermosetting polymers have drawn significant attention due to their potential positive economic and ecological impacts. New materials should mimic the rigid, phenylic structures of incumbent petroleum-based thermosetting monomers and possess superior thermal and mechanical properties. Furans and triglycerides derived from cellulose, hemicellulose and plant oils are promising candidates for preparing such thermosetting materials. In this work, furanyl diepoxies, diamines and di-vinyl esters were synthesized using biobased furanyl materials, and their thermal and mechanical properties were investigated using multiple techniques. The structure versus property relationship showed that, compared with the prepared phenylic analogues, biobased furanyl thermosetting materials possess improved glassy storage modulus (E '), advanced fracture toughness, superior high-temperature char yield and comparable glass transition temperature (Tg) properties. An additive molar function analysis of the furanyl building block to the physical properties, such as Tg and density, of thermosetting polymers was performed. The molar glass transition function value (Yg) and molar volume increment value (Va,i) of the furanyl building block were obtained. Biobased epoxidized soybean oil (ESO) was modified using different fatty acids at varying molar ratios, and these prepared materials dramatically improved the critical strain energy release rate (G1c) and the critical stress intensity factor (K1c) values of commercial phenylic epoxy resins, without impairing their Tg and E ' properties. Overall, it was demonstrated that biobased furans and triglycerides possess promising potential for use in preparing high-performance thermosetting materials, and the established methodologies in this work can be utilized to direct the preparation of thermosetting materials with thermal and mechanical properties desired for practical applications.

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

    SciTech Connect

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

    1992-09-01

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

  19. 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.

  20. 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.

  1. 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.

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

    PubMed

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

    2014-12-21

    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.

  3. Eco-friendly electron beam lithography using water-developable resist material derived from biomass

    NASA Astrophysics Data System (ADS)

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

    2012-07-01

    We investigated the eco-friendly electron beam (EB) lithography using a high-sensitive negative type of water-developable resist material derived from biomass on hardmask layer for tri-layer processes. A water developable, non-chemically amplified, high sensitive, and negative tone resist material in EB lithography was developed for environmental affair, safety, easiness of handling, and health of the working people, instead of the common developable process of trimethylphenylammonium hydroxide. The images of 200 nm line and 800 nm space pattern with exposure dose of 7.0 μC/cm2 and CF4 etching selectivity of 2.2 with hardmask layer were provided by specific process conditions.

  4. 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)

  5. 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

  6. Disulphide-thiol chemistry: a multi-faceted tool for macromolecular design and synthesis of polyfunctional materials for specialized drug delivery.

    PubMed

    Kgesa, Teboho; Choonara, Yahya E; Tyagi, Charu; Tomar, Lomas K; Kumar, Pradeep; du Toit, Lisa C; Pillay, Viness

    2015-01-01

    This review highlights recent interests and applications of disulphide and thiol chemistry in creating contemporary macromolecular designs. Due to the chemical nature of disulphides and thiols a wide range of chemical species react with these functional groups to yield a variety of polymers extending their applications in chemical, biological, physical, material engineering and material sciences. The review aims to illustrate the versatility and demonstrate the potential of thiol-based chemistries. The focus is on exploring bio-cleavable disulphides and linking by "clicking" thiols via thiol/other functional group exchange reactions. Thiol synthesis, modification and functionalization are demonstrated to be highly attractive and efficient in polymer and material science which in turn have immense application in biological therapeutics and drug delivery. The review also illustrates the remarkable pliability of synthetic and natural approaches to designing, optimizing and functionalizing nanostructures and conjugates by thiol chermistry modification. The examples quoted in the review illustrate the power and versatility of thiols for site specific functionalization, the construction of complex macromolecules and the generation of both biodegradable disulphides and non-biodegradable bonds which are the tools for constructing specific therapeutic/drug delivery systems. In addition, the ability of thiols to react with various functional groups found in a variety of polymer science materials and biological entities such as peptide and related structures will also be demonstrated. Despite of the fact that research efforts in thiol chemistry are still at the early stages, it is likely that its true potential will be developed.

  7. 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.

  8. 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.

  9. 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)

  10. 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.

  11. 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'.

  12. 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.

  13. 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.

  14. 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.

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

    DTIC Science & Technology

    2007-11-02

    Partial Contents: Catalysis, Chemical Industry, Electrochemistry, Environmental Chemistry, Materials Research, Organophosphorous Compounds, Petroleum and Coal Processing, Polymers and Rubber, Radiation Chemistry.

  16. Organic Materials Chemistry

    DTIC Science & Technology

    2013-03-07

    Carbon nanotubes + Paper ( cellulose fibers) Carbon nanotubes + Poly- ethyleneimeine (PEI) + NaBH4 treatment 21...Double-walled carbon nanotubes (DWNT) are stabilized with two different molecules in poly(vinyl acetate) latex:  PEDOT:PSS (conductive)  TCPP...2.5 3 3.5 0 200 400 600 800 1000 Tensile Modulus (GPa) C o m p re s s iv e S tr e n g th ( G P a ) Pitch Based Carbon Fibers PAN Based

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

    PubMed

    Li, Ran; Wang, Hong; Leng, Chongyan; Wang, Kuan; Xie, Ying

    2016-05-01

    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.

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

    NASA Astrophysics Data System (ADS)

    Singh, Hari Ji; Upadhyay, Manish Kumar

    2013-10-01

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

  19. 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) .

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

    PubMed

    Luca, Oana R; Fenwick, Aidan Q

    2015-11-01

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

  1. 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.

  2. Structural characterization of sol-gel derived siloxane-oxide materials

    SciTech Connect

    Babonneau, F.; Dire, S.

    1993-12-31

    Sol-gel processing of hybrid siloxane-oxide materials is currently widely investigated due to a large amount of potential applications for these systems. They are usually based on silicon alkoxides and derivatives. Various new materials have been prepared combining a modified silicon alkoxide, diethoxydimethylsilane (DEDMS) and a transition metal alkoxide, M(OR){sub n} with M=Ti and Zr. Transparent monolithic pieces or thick films can be obtained over a wide range of compositions. The hydrolysis process of various preparations was followed by {sup 29}Si liquid NMR, and indicates the formation of Si-O-M bonds. The structure of the final gels was essentially characterized by solid state NMR ({sup 1}H, {sup 13}C and {sup 29}Si) and X-ray absorption spectroscopies (Ti K-edge), and leads to propose structural models for these gels. This study points out that titanium and zirconium alkoxides does not only act as cross linking agents, such as silicon alkoxides, but behave as catalysts for the formation of polydimethylsiloxane chains within the materials.

  3. The tert-amino effect in heterocyclic chemistry: synthesis of new fused pyrazolinoquinolizine and 1,4-oxazinopyrazoline derivatives.

    PubMed

    Prajapati, Dipak; Borah, Kalyan Jyoti

    2007-12-12

    The synthesis of novel fused heterocycles is based on reactions proceeding by the mechanism of the tert-amino effect, which generalizes cyclization of certain derivatives of 3-methyl-1-phenyl-2-pyrazolin-5-ones. Using this strategy a variety of fused heterocycles is obtained by the Knoevenagel condensation of 5-tert-amino-3-methyl-1-phenylpyrazolone-4-carboxal-dehyde 3 with active methylene compounds such as malononitrile and cyanoacetamide followed by cyclisation using anhydrous zinc chloride.

  4. Water-soluble fullerene derivatives as brain medicine: surface chemistry determines if they are neuroprotective and antitumor.

    PubMed

    Hsieh, Fu-Yu; Zhilenkov, Alexander; Voronov, Iliya; Khakina, Ekaterina; Mishchenko, Denis; Troshin, Pavel; Hsu, Shan-Hui

    2017-03-06

    Delivering drug to central nervous system (CNS) is a major challenge in treating CNS related diseases. Nanoparticles that can cross blood-brain barrier are potential tools. In this study, water-soluble C60 fullerene derivatives with different types of linkages between the fullerene cage and the solubilizing addend were synthesized (compounds 1-3: C-C bonds, compounds 4-5: C-S bonds, compound 6: C-P bonds, and compounds 7-9: C-N bonds). The fullerene derivatives 1-6 were observed to induce neural stem cell (NSC) proliferation in vitro and rescue the function of injured CNS in zebrafish. The fullerene derivatives 7-9 were found to inhibit glioblastoma cell proliferation in vitro and reduce glioblastoma formation in zebrafish. These effects were correlated with the cell metabolic changes. Particularly, the compound 3 bearing residues of phenylbutiryc acids significantly promoted the NSC proliferation and neural repair without causing tumor growth. Meanwhile, the compound 7 with phenylalanine appendages significantly inhibited the glioblastoma growth without retarding the neural repair. We conclude that the surface functional group determines the properties as well as the interactions of C60 with NSCs and glioma cells, producing either a neuroprotective or antitumor effect for possible treatment of CNS-related diseases.

  5. Self-assembly into soft materials of molecules derived from naturallyoccurring fatty-acids

    NASA Astrophysics Data System (ADS)

    Zhang, Mohan

    The self-assembly of molecular gelators has provided an attractive route for the construction of nanostructured materials with desired functionalities. A well-defined paradigm for the design of molecular gels is needed, but none has yet been established. One of the important challenges to defining this paradigm is the creation of structure-property correlations for gelators at different distance scales. This dissertation centers on gaining additional insights in the relationship between small changes in gelator structures derived from long-chain, naturally-occurring fatty acids and the properties of the corresponding gels. This approach offers a reasonable method to probe the rational design of molecular gelators. (Abstract shortened by ProQuest.).

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. Development of plant-based resist material derived from biomass on hardmask layer in ultraviolet curing nanoimprint lithography

    NASA Astrophysics Data System (ADS)

    Takei, Satoshi

    2012-06-01

    Nanopatterning printability due to high sensitivity and low film thickness shrinkage of ultraviolet curing process in resist material was one of key to achieve high resolution and quality of nanoimprint lithography. The new ultraviolet curing plant-based resist material derived from biomass was investigated to achieve high quality of 100 nm line and space patterning images in the optimized conditions of ultraviolet curing nanoimprint lithography technology for the optical films containing light-emitting diodes, solar cell devices, actuators, biosensors, and micro electro mechanical systems. The newly plantbased resist material derived from biomass is expected as one of the nanoimprint lithography technology in next generation optical devices and biosensors.

  11. 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.

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

    DOE PAGES

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

    2015-06-05

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

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. Lead Discovery, Chemistry Optimization, and Biological Evaluation Studies of Novel Biamide Derivatives as CB2 Receptor Inverse Agonists and Osteoclast Inhibitors

    PubMed Central

    Yang, Peng; Myint, Kyaw-Zeyar; Tong, Qin; Feng, Rentian; Cao, Haiping; Almehizia, Abdulrahman A.; Alqarni, Mohammed Hamed; Wang, Lirong; Bartlow, Patrick; Gao, Yingdai; Gertsch, Jürg; Teramachi, Jumpei; Kurihara, Noriyoshi; Roodman, Garson David; Cheng, Tao; Xie, Xiang-Qun

    2014-01-01

    N,N′-((4-(Dimethylamino)phenyl)methylene)bis(2-phenylacetamide) was discovered by using 3D pharmacophore database searches and was biologically confirmed as a new class of CB2 inverse agonists. Subsequently, 52 derivatives were designed and synthesized through lead chemistry optimization by modifying the rings A–C and the core structure in further SAR studies. Five compounds were developed and also confirmed as CB2 inverse agonists with the highest CB2 binding affinity (CB2 Ki of 22–85 nM, EC50 of 4–28 nM) and best selectivity (CB1/CB2 of 235- to 909-fold). Furthermore, osteoclastogenesis bioassay indicated that PAM compounds showed great inhibition of osteoclast formation. Especially, compound 26 showed 72% inhibition activity even at the low concentration of 0.1 µM. The cytotoxicity assay suggested that the inhibition of PAM compounds on osteoclastogenesis did not result from its cytotoxicity. Therefore, these PAM derivatives could be used as potential leads for the development of a new type of antiosteoporosis agent. PMID:23072339

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

    PubMed Central

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

    2014-01-01

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

  19. 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

  20. Integration of Platinum Group Metal-Free Catalysts and Bilirubin Oxidase into a Hybrid Material for Oxygen Reduction: Interplay of Chemistry and Morphology.

    PubMed

    Rojas-Carbonell, Santiago; Babanova, Sofia; Serov, Alexey; Artyushkova, Kateryna; Workman, Michael J; Santoro, Carlo; Mirabal, Alex; Calabrese Barton, Scott; Atanassov, Plamen

    2017-02-02

    Catalytic activity toward the oxygen reduction reaction (ORR) of platinum group metal-free (PGM-free) electrocatalysts integrated with an enzyme (bilirubin oxidase, BOx) in neutral media was studied. The effects of chemical and morphological characteristics of PGM-free materials on the enzyme enhancement of the overall ORR kinetics was investigated. The surface chemistry of the PGM-free catalyst was studied using X-ray Photoelectron Spectroscopy. Catalyst surface morphology was characterized using two independent methods: length-scale specific image analysis and nitrogen adsorption. Good agreement of macroscopic and microscopic morphological properties was found. Enhancement of ORR activity by the enzyme is influenced by chemistry and surface morphology of the catalyst itself. Catalysts with a higher nitrogen content, specifically pyridinic moieties, showed the greatest enhancement. Furthermore, catalysts with a higher fraction of surface roughness in the range of 3-5 nm exhibited greater performance enhancement than catalysts lacking features of this size.

  1. 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 +]…

  2. 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.

  3. Organic Chemistry Made Easy.

    ERIC Educational Resources Information Center

    Bradt, Steve

    1998-01-01

    Student-led workshops are helping undergraduate students learn from each other as they tackle organic chemistry. Each week, small groups brainstorm tough problems in sessions guided by upper-class students who have taken and passed the course. Debating and discussing chemistry problems with peers engages students with the material and boosts…

  4. Hierarchically structured materials from block polymer confinement within bicontinuous microemulsion-derived nanoporous polyethylene.

    PubMed

    Jones, Brad H; Lodge, Timothy P

    2011-11-22

    The self-assembly behavior of block polymers under strong two-dimensional and three-dimensional confinement has been well-studied in the past decade. Confinement effects enable access to a large suite of morphologies not typically observed in the bulk. We have used nanoporous polyethylene, derived from a polymeric bicontinuous microemulsion, as a novel template for the confinement of several different cylinder-forming block polymer systems: poly(isoprene-b-2-vinylpyridine), poly(styrene-b-isoprene), and poly(isoprene-b-dimethylsiloxane). The resultant materials exhibit unique hierarchical arrangements of structure with two distinct length scales. First, the polyethylene template imparts a disordered, microemulsion-like periodicity between bicontinuous polyethylene and block polymer networks with sizes on the order of 100 nm. Second, the block polymer networks display internal periodic arrangements produced by the spontaneous segregation of their incompatible constituents. The microphase-separated morphologies observed are similar to those previously reported for confinement of block polymers in cylindrical pores. However, at present, the morphologies are spatially variant in a complex manner, due to the three-dimensionally interconnected nature of the confining geometry and its distribution in pore sizes. We have further exploited the unique structure of the polyethylene template to generate new hierarchically structured porous monoliths. Poly(isoprene-b-2-vinylpyridine) is used as a model system in which the pyridine block is cross-linked, post-infiltration, and the polyethylene template is subsequently extracted. The resultant materials possess a three-dimensionally continuous pore network, of which the pore walls retain the unique, microphase-separated morphology of the confined block polymer.

  5. 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

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

    PubMed

    Bettendorff, Lucien; Wins, Pierre

    2009-06-01

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

  7. Physical, morphological, and chemical studies of dusts derived from the machining of composite-epoxy materials.

    PubMed

    Boatman, E S; Covert, D; Kalman, D; Luchtel, D; Omenn, G S

    1988-04-01

    This work (in three parts) inquires into whether respirable dusts derived from the machining of six composite-epoxy materials (e.g., aircraft industry) may pose a health risk to the operators. Dust samples representative of a variety of composites and structural components were aerodynamically sized and fractionated. Bulk and fractionated samples were examined by light and electron microscopy and analyzed chemically by thermogravimetry (TGA), gas chromatography (GC) and mass spectrometry (MS). Relative fractions of respirable to total mass of bulk samples were less than 3%; aerodynamic diameters of fractionated particles ranged from 0.8 to 2.0 microns. By microscopy, bulk particles ranged from 7 to 11 microns in diameter, with mean aspect ratios from 4 to 8:1. Mean diameter of fractionated particles was 2.7 microns. By TGA, weight losses were negligible below 250 degrees C and variable but elevated at temperatures up to 860 degrees C. In assays of vapors released at 250 degrees C, GC/MS indicated a variety of compounds in different amounts for each sample. We conclude that under the present machining protocols, dusts at the tool face contained few particles of respirable size with no evidence of splitting of fibers longitudinally and were of a low volatilizable chemical content. Overall, composites were judged to be well cured and thermally stable.

  8. Blue fluorescent materials based on bis(10-phenylanthracen-9-yl) derivatives containing heterocyclic moiety

    NASA Astrophysics Data System (ADS)

    Kim, Young Seok; Yoon, Jhin-yeong; Lee, Hyun Woo; Kim, Jwajin; Lee, Ho Won; Lee, Song Eun; Kim, Young Kwan; Yoon, Seung Soo

    2015-08-01

    We synthesized a series of bis(10-phenylanthracen-9-yl) derivatives containing various heterocyclic moieties such as 9-ethylcarbazole, dibenzofuran and dibenzothiophene (1-3) by Suzuki cross-coupling reactions. To explore electroluminescent properties of these materials, multilayered devices were fabricated with configuration of indium-tin-oxide (ITO) (180 nm)/4,4‧-bis(N-(1-naphthyl)-N-phenylamino)biphenyl (NPB) (50 nm)/Emitters 1-3 (30 nm)/Tris(8-hydroxyquinolinato) aluminium (Alq3) (15 nm)/lithium quinolate (Liq) (2.0 nm)/Al (100 nm). In particular, a device using 2,8-bis(10-phenylanthracen-9-yl)dibenzo[b,d]furan (2), as an emitter, exhibited efficient blue emission with maximum luminance, luminous, power and external quantum efficiency of 620 cd/m2, 2.05 cd/A, 1.05 lm/W, 1.43% at 20 mA/cm2, and CIE coordinates of (x = 0.18, y = 0.17) at 8 V, respectively.

  9. 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.

  10. 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.

  11. 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.

  12. A 99mTc-Labelled Tetrazine for Bioorthogonal Chemistry. Synthesis and Biodistribution Studies with Small Molecule trans-Cyclooctene Derivatives

    PubMed Central

    Vito, Alyssa; Alarabi, Hussain; Czorny, Shannon; Beiraghi, Omid; Kent, Jeff; Janzen, Nancy; Genady, Afaf R.; Alkarmi, Salma A.; Rathmann, Stephanie; Naperstkow, Zoya; Blacker, Megan; Llano, Lisset; Berti, Paul J.

    2016-01-01

    A convenient strategy to radiolabel a hydrazinonicotonic acid (HYNIC)-derived tetrazine with 99mTc was developed, and its utility for creating probes to image bone metabolism and bacterial infection using both active and pretargeting strategies was demonstrated. The 99mTc-labelled HYNIC-tetrazine was synthesized in 75% yield and exhibited high stability in vitro and in vivo. A trans-cyclooctene (TCO)-labelled bisphosphonate (TCO-BP) that binds to regions of active calcium metabolism was used to evaluate the utility of the labelled tetrazine for bioorthogonal chemistry. The pretargeting approach, with 99mTc-HYNIC-tetrazine administered to mice one hour after TCO-BP, showed significant uptake of radioactivity in regions of active bone metabolism (knees and shoulders) at 6 hours post-injection. For comparison, TCO-BP was reacted with 99mTc-HYNIC-tetrazine before injection and this active targeting also showed high specific uptake in the knees and shoulders, whereas control 99mTc-HYNIC-tetrazine alone did not. A TCO-vancomycin derivative was similarly employed for targeting Staphylococcus aureus infection in vitro and in vivo. Pretargeting and active targeting strategies showed 2.5- and 3-fold uptake, respectively, at the sites of a calf-muscle infection in a murine model, compared to the contralateral control muscle. These results demonstrate the utility of the 99mTc-HYNIC-tetrazine for preparing new technetium radiopharmaceuticals, including those based on small molecule targeting constructs containing TCO, using either active or pretargeting strategies. PMID:27936007

  13. 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.

  14. 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)

  15. 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.

  16. Computational quantum chemistry website

    SciTech Connect

    1997-08-22

    This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage.

  17. Unified analytical expressions of the three-dimensional fundamental solutions and their derivatives for linear elastic anisotropic materials

    PubMed Central

    Xie, Longtao; Zhang, Chuanzeng; Sladek, Jan; Sladek, Vladimir

    2016-01-01

    Novel unified analytical displacement and stress fundamental solutions as well as the higher order derivatives of the displacement fundamental solutions for three-dimensional, generally anisotropic and linear elastic materials are presented in this paper. Adequate integral expressions for the displacement and stress fundamental solutions as well as the higher order derivatives of the displacement fundamental solutions are evaluated analytically by using the Cauchy residue theorem. The resulting explicit displacement fundamental solutions and their first and second derivatives are recast into convenient analytical forms which are valid for non-degenerate, partially degenerate, fully degenerate and nearly degenerate cases. The correctness and the accuracy of the novel unified and closed-form three-dimensional anisotropic fundamental solutions are verified by using some available analytical expressions for both transversely isotropic (non-degenerate or partially degenerate) and isotropic (fully degenerate) linear elastic materials. PMID:27118881

  18. Electron Beam Lithography Using Highly Sensitive Negative Type of Plant-Based Resist Material Derived from Biomass on Hardmask Layer

    NASA Astrophysics Data System (ADS)

    Takei, Satoshi; Oshima, Akihiro; Sekiguchi, Atsushi; Yanamori, Naomi; Kashiwakura, Miki; Kozawa, Takahiro; Tagawa, Seiichi

    2011-10-01

    We investigated electron beam (EB) lithography using a novel highly sensitive negative type of plant-based resist material derived from biomass on a hardmask layer for trilayer processes. The chemical design concept for using the plant-based resist material with glucose and dextrin derivatives was first demonstrated in the EB lithography. The 1 µm line patterning images with highly efficient crosslinking properties and low film thickness shrinkage were provided under specific process conditions of EB lithography. The results shown reveal that the alpha-linked disaccharide formed by a 1,1-glucoside bond between two glucose units in dextrin derivatives was an important factor in controlling the highly sensitive EB patterning and developer properties.

  19. Unified analytical expressions of the three-dimensional fundamental solutions and their derivatives for linear elastic anisotropic materials.

    PubMed

    Xie, Longtao; Zhang, Chuanzeng; Sladek, Jan; Sladek, Vladimir

    2016-02-01

    Novel unified analytical displacement and stress fundamental solutions as well as the higher order derivatives of the displacement fundamental solutions for three-dimensional, generally anisotropic and linear elastic materials are presented in this paper. Adequate integral expressions for the displacement and stress fundamental solutions as well as the higher order derivatives of the displacement fundamental solutions are evaluated analytically by using the Cauchy residue theorem. The resulting explicit displacement fundamental solutions and their first and second derivatives are recast into convenient analytical forms which are valid for non-degenerate, partially degenerate, fully degenerate and nearly degenerate cases. The correctness and the accuracy of the novel unified and closed-form three-dimensional anisotropic fundamental solutions are verified by using some available analytical expressions for both transversely isotropic (non-degenerate or partially degenerate) and isotropic (fully degenerate) linear elastic materials.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Microfluidics in inorganic chemistry.

    PubMed

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

    2010-08-23

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

  5. Incompletely-Condensed Fluoroalkyl Silsesquioxanes and Derivatives: Precursors for Low Surface Energy Materials (Preprint)

    DTIC Science & Technology

    2011-09-13

    superhydrophobic and oleophobic materials. Utilizing triflic acid, open-cage compounds were created and then reacted with a variety of dichlorosilanes...fluorinated nanobuilding blocks with a controlled level of reactive functionality for the development of new superhydrophobic and oleophobic...F-POSS), which are useful as low surface energy materials for superhydrophobic and oleophobic materials. Utilizing triflic acid, open-cage

  6. 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

  7. Removal of Pb, Cd, and Cr in a water purification system using modified mineral waste materials and activated carbon derived from waste materials

    NASA Astrophysics Data System (ADS)

    Lu, H. R.; Su, L. C.; Ruan, H. D.

    2016-08-01

    This study attempts to find out and optimize the removal efficiency of heavy metals in a water purification unit using a low-cost waste material and modified mineral waste materials (MMWM) accompanied with activated carbon (AC) derived from waste materials. The factors of the inner diameter of the purification unit (2.6-5cm), the height of the packing materials (5-20cm), the size of AC (200-20mesh), the size of MMWM (1-0.045mm), and the ratio between AC and MMWM in the packing materials (1:0 - 0:1) were examined based on a L18 (5) 3 orthogonal array design. In order to achieve an optimally maximum removal efficiency, the factors of the inner diameter of the purification unit (2.6-7.5cm), the height of the packing materials (10-30cm), and the ratio between AC and MMWM in the packing materials (1:4-4:1) were examined based on a L16 (4) 3 orthogonal array design. A height of 25cm, inner diameter of 5cm, ratio between AC and MMWM of 3:2 with size of 60-40mesh and 0.075-0.045mm, respectively, were the best conditions determined by the ICP-OES analysis to perform the adsorption of heavy metals in this study.

  8. 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…

  9. Frequency-Dependent Material Damping Using Augmenting Thermodynamic Fields (ATF) with Fractional Time Derivatives

    DTIC Science & Technology

    1990-09-01

    field, z - (q + r)7T/2 a,, a2 - material parameter, relation of affinity to the augmenting thermodynamic field a 3 - coupling between two ATFs 0T...frequency range, coupled material constitutive ix relations are developed using the concept of augmenting thermodynamic fields, with non-integer...material, for which the relation of stress to strain is defined by Hooke’s law a = EE , where E is called the modulus of elasticity. For this

  10. 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

  11. 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.

  12. The chemistry of suspended particulate material in a highly contaminated embayment of Port Jackson (Australia) under quiescent, high-wind and heavy-rainfall conditions

    NASA Astrophysics Data System (ADS)

    Birch, Gavin; O'Hea, Laura

    2007-11-01

    This study investigated physico-chemical characteristics of the water column and chemistry of suspended particulate material (SPM) under quiescent, high-wind and high-wind/heavy-rainfall conditions in Homebush Bay, a highly contaminated embayment of Port Jackson (Australia) to distinguish source and possible adverse effects to benthic and pelagic animals. Mean concentrations in surficial sediment were <1, 14, 181, 141, 37, 290 and 685 μg g-1 for Cd, Co, Cr, Cu, Ni, Pb and Zn, respectively. Sediment chemistry indicated these metals had multiple sources, i.e. the estuary, stormwater and industry. Mean total suspended solids (TSS) were 7, 17 and 20 mg L-1 during quiescent, high-rainfall and heavy rainfall/high wind conditions, respectively, whereas SPM Cd, Co, Cr, Cu, Ni, Pb and Zn concentrations varied between 13-25, 166-259, 127-198, 38-82, 236-305 and 605-865 μg g-1, respectively under these conditions. TSS and total water metal concentrations were lowest during quiescent conditions. High TSS and metal loads in surface water characterised high-rainfall events. Wind-induced resuspension contributed the greatest mass of SPM and metals to the water column. Benthic animals may be adversely affected by Pb and Zn in sediment. Total water Cu and Zn concentrations may pose a risk to filter-feeding animals in the water column due to resuspension of contaminated sediment.

  13. Carbon dioxide capture on amine-rich carbonaceous materials derived from glucose.

    PubMed

    Zhao, Li; Bacsik, Zoltan; Hedin, Niklas; Wei, Wei; Sun, Yuhan; Antonietti, Markus; Titirici, Maria-Magdalena

    2010-07-19

    The synthesis of carbonaceous materials with a high surface density of amino functions for CO(2) sorption and sequestration is reported. The amino-rich carbonaceous materials are characterized by elemental analysis, N(2) sorption, scanning and transmission electron microscopy, zeta potential, TGA and FTIR measurements. A detailed discussion on the use of these materials in CO(2) capture is provided. The materials show significant sorption capabilities for CO(2) (4.3 mmol g(-1)at -20 degrees C and 1 bar). Furthermore, they show a high apparent selectivity for CO(2) over N(2) at both low and high temperatures.

  14. Construction of tubular polypyrrole-wrapped biomass-derived carbon nanospheres as cathode materials for lithium–sulfur batteries

    NASA Astrophysics Data System (ADS)

    Yu, Qiuhong; Lu, Yang; Peng, Tao; Hou, Xiaoyi; Luo, Rongjie; Wang, Yange; Yan, Hailong; Liu, Xianming; Kim, Jang-Kyo; Luo, Yongsong

    2017-03-01

    A promising hybrid material composed of tubular polypyrrole (T-PPy)-wrapped monodisperse biomass-derived carbon nanospheres (BCSs) was first synthesized successfully via a simple hydrothermal approach by using watermelon juice as the carbon source, and further used as an anchoring object for sulfur (S) of lithium–sulfur (Li–S) batteries. The use of BCSs with hydrophilic nature as a framework could provide large interface areas between the active materials and electrolyte, and improve the dispersion of T-PPy, which could help in the active material utilization. As a result, BCS@T-PPy/S as a cathode material exhibited a high capacity of 1143.6 mA h g‑1 and delivered a stable capacity up to 685.8 mA h g‑1 after 500 cycles at 0.5 C, demonstrating its promising application for rechargeable Li–S batteries.

  15. 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.

  16. Effectiveness of a coral-derived surfacing material for reducing sediment production on unpaved roads, Schoffield barracks, Oahu, Hawaii.

    PubMed

    Ziegler, Alan D; Sutherland, Ross A

    2006-01-01

    This study evaluated the effectiveness of two application rates of a coral-derived surfacing material for both traffic and nontraffic road conditions using simulated rainfall (110-120 mm h(-1) for 30-90 min) on 0.75-m (wide) x 5.0-m (long) plots of similar slope (roughly 0.1 m m(-1)). The coral is a locally available material that has been applied to unpaved roads surfaces on Schoffield Barracks, Oahu, Hawaii (USA), where this experiment was conducted. The simulations show that compared with a bare control plot, the coral-based surface application rates of 80 and 160 kg m(-2) (equivalent to only 10- and 20-mm thicknesses) reduced road sediment production by 75% and 95%, respectively, for nontraffic conditions. However, after two passes of the research vehicle during wet conditions, sediment production rates for the two coral treatments were not significantly different from those on the bare road plots. The overall effectiveness of the coral-derived surfacing material is unsatisfactory, primarily because the on-road surface thickness associated with the application rates tested was too small. These rates were selected to bracket those applied to training roads in the study area. Furthermore, the composition of the coral-based material does not facilitate the development of a sealed, erosion-resistant surface. When applied at the low rates tested, the coral material breaks down under normal traffic conditions, thereby losing its ability to counter shearing forces exerted by overland flow on long hillslopes where erosion measures are most needed. These simulations, combined with observations on roads in the study area, indicate that this material is not an appropriate road surfacing material for the site-at least for the low application rates examined. These results are preliminary; extended testing of higher applications rates at the hillslope scale under natural climate and traffic conditions is needed to better judge the effectiveness of this material over time.

  17. Biophysical chemistry.

    PubMed

    Häussinger, Daniel; Pfohl, Thomas

    2010-01-01

    Biophysical chemistry at the Department of Chemistry, University of Basel, covers the NMR analysis of protein-protein interaction using paramagnetic tags and sophisticated microscopy techniques investigating the dynamics of biological matter.

  18. 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)

  19. Chemistry Dashboard

    EPA Pesticide Factsheets

    The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

  20. 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)

  1. 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

  2. Reversible TAD Chemistry as a Convenient Tool for the Design of (Re)processable PCL-Based Shape-Memory Materials.

    PubMed

    Defize, Thomas; Riva, Raphaël; Thomassin, Jean-Michel; Alexandre, Michaël; Herck, Niels Van; Prez, Filip Du; Jérôme, Christine

    2017-01-01

    A chemically cross-linked but remarkably (re)processable shape-memory polymer (SMP) is designed by cross-linking poly(ε-caprolactone) (PCL) stars via the efficient triazolinedione click chemistry, based on the very fast and reversible Alder-ene reaction of 1,2,4-triazoline-3,5-dione (TAD) with indole compounds. Typically, a six-arm star-shaped PCL functionalized by indole moieties at the chain ends is melt-blended with a bisfunctional TAD, directly resulting in a cross-linked PCL-based SMP without the need of post-curing treatment. As demonstrated by the stress relaxation measurement, the labile character of the TAD-indole adducts under stress allows for the solid-state plasticity reprocessing of the permanent shape at will by compression molding of the raw cross-linked material, while keeping excellent shape-memory properties.

  3. Effect of Material Ion Exchanges on the Mechanical Stiffness Properties and Shear Deformation of Hydrated Cement Material Chemistry Structure C-S-H Jennit - A Computational Modeling Study

    DTIC Science & Technology

    2014-01-01

    and high versatility, cement has remained the most widely utilized material in the world [2]. The starting material of cement is the clinker phase...things of God. v Dedication This work is dedicated to God almighty the giver of life and strength . It is also dedicated to my parents Mr...Jennite Structures (% Weight) ................................................ 34 Table 5 Shear Modulus, Strength and Maximum Shear Deformation of cb

  4. 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.

  5. Vestas Pinaria Region: Original Basaltic Achondrite Material Derived from Mixing Upper and Lower Crust

    NASA Technical Reports Server (NTRS)

    Mcfadden, L. A.; Combe, Jean-Philippe; Ammannito, Eleonora; Frigeri, Alessandro; Stephan, Katrin; Longobardo, Andrea; Palomba, Ernesto; Tosi, Federico; Zambon, Francesca; Krohn, Katrin; DeSanctis, Cristina M.; Reddy, Vishnu; LeCorre, Lucille; Nathues, Andreas; Pieters, Carle M.; Prettyman, Thomas; Raymond, C. A.; Russell, C. T.

    2015-01-01

    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".

  6. 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.

  7. 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.

  8. International Federation of Clinical Chemistry standardization project for measurements of apolipoproteins A-I and B. IV. Comparability of apolipoprotein B values by use of International Reference Material.

    PubMed

    Marcovina, S M; Albers, J J; Kennedy, H; Mei, J V; Henderson, L O; Hannon, W H

    1994-04-01

    We performed temporal and thermal stability studies on SP3-07, a liquid-stabilized reference material for apolipoprotein (apo) B, selected during the previous phase of the International Federation of Clinical Chemistry project on standardization of apolipoprotein measurements. Results indicate that SP3-07 stored at -70 degrees C has the long-term stability required for a reference material. We assigned an accuracy-based apo B value of 1.22 g/L to SP3-07, using a nephelometric method that was calibrated with freshly isolated low-density lipoprotein for which the apo B mass value was determined by a standardized sodium dodecyl sulfate-Lowry procedure. Using a common protocol, the study participants transferred the assigned mass value from SP3-07 to the individual calibrators of the analytical systems and measured the apo B concentration of 20 fresh-frozen samples obtained from individual donors and covering a clinically relevant range of apo B values. The among-laboratory CV on these samples, analyzed by 25 analytical systems, ranged from 3.1% to 6.7%. These results demonstrate the lack of matrix effects of SP3-07 and its ability to provide accurate and comparable apo B values in a variety of immunochemical methods. On the basis of the outcome of these studies, the World Health Organization has endorsed SP3-07 as the International Reference Material for Apolipoprotein B.

  9. Analytical Chemistry Laboratory

    NASA Technical Reports Server (NTRS)

    Anderson, Mark

    2013-01-01

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

  10. Epoxide-derived organosulfates

    NASA Astrophysics Data System (ADS)

    Schwier, A. N.; Woo, J.; McNeill, V. F.

    2011-12-01

    Organosulfates (OS) are a significant fraction of secondary organic aerosol (SOA) material in the atmosphere. OS are typically surface-active, and have been suggested to cause surface tension depression in aerosols. Recent field studies suggest that epoxide-derived OS are the most abundant OS type in aerosols. Time-dependent surface tension measurements and Aerosol-CIMS characterization of two epoxides and their organosulfate products are shown. α-pinene oxide, derived from α-pinene, shows significant surface tension depression in H2O and ammonium sulfate. Results from cis-2,3-epoxybutane-1,4-diol (BEPOX), a butadiene-derived analog to isoprene-derived epoxydiols, are also shown. In addition, using GAMMA, a photochemical box model using coupled gas- and aqueous-phase chemistry developed in the McNeill laboratory, we show the dominance of epoxide-derived OS formation over other competing OS formation mechanisms, such as radical chemistry, under both high-NOx and low-NOx scenarios.

  11. Chemical modeling of acid-base properties of soluble biopolymers derived from municipal waste treatment materials.

    PubMed

    Tabasso, Silvia; Berto, Silvia; Rosato, Roberta; Marinos, Janeth Alicia Tafur; Ginepro, Marco; Zelano, Vincenzo; Daniele, Pier Giuseppe; Montoneri, Enzo

    2015-02-04

    This work reports a study of the proton-binding capacity of biopolymers obtained from different materials supplied by a municipal biowaste treatment plant located in Northern Italy. One material was the anaerobic fermentation digestate of the urban wastes organic humid fraction. The others were the compost of home and public gardening residues and the compost of the mix of the above residues, digestate and sewage sludge. These materials were hydrolyzed under alkaline conditions to yield the biopolymers by saponification. The biopolymers were characterized by 13C NMR spectroscopy, elemental analysis and potentiometric titration. The titration data were elaborated to attain chemical models for interpretation of the proton-binding capacity of the biopolymers obtaining the acidic sites concentrations and their protonation constants. The results obtained with the models and by NMR spectroscopy were elaborated together in order to better characterize the nature of the macromolecules. The chemical nature of the biopolymers was found dependent upon the nature of the sourcing materials.

  12. New water-soluble metal working fluids additives from phosphonic acid derivatives for aluminum alloy materials.

    PubMed

    Kohara, Ichitaro; Tomoda, Hideyuki; Watanabe, Shoji

    2007-01-01

    Water-soluble metal working fluids are used for processing of aluminum alloy materials. This short paper describes properties of new additives for water-soluble cutting fluids for aluminum alloy materials. Some alkyldiphosphonic acids were prepared with known method. Amine salts of these phosphonic acids showed anti-corrosion property for aluminum alloy materials. However, they have no hard water tolerance. Monoesters of octylphosphonic acid were prepared by the reaction of octylphosphonic acid dichloride with various alcohols in the presence of triethylamine. Amine salts of monoester of octylphosphonic acid with diethyleneglycol monomethyl ether, ethyleneglycol monomethyl ether and triethyleneglycol monomethyl ether showed both of a good anti-corrosion property for aluminum alloy materials and hard water tolerance.

  13. 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.

  14. Polyacrylonitrile-derived polyconjugated ladder structures for high performance all-organic dielectric materials.

    PubMed

    Liao, Xiaojian; Ding, Yichun; Chen, Linlin; Ye, Wan; Zhu, Jian; Fang, Hong; Hou, Haoqing

    2015-06-25

    A novel all-organic polyconjugated ladder structures-polyimide (PcLS-PI) composite was successfully synthesized, in which PcLS were derived from polyacrylonitrile (PAN). The PcLS-PI composite not only presents high dielectric performances of high dielectric permittivity, low dielectric loss, high electrical breakdown strength and high energy density, but also has excellent mechanical and thermal properties.

  15. 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.

  16. Climate-relevant physical properties of molecular constituents for isoprene-derived secondary organic aerosol material

    NASA Astrophysics Data System (ADS)

    Upshur, M. A.; Strick, B. F.; McNeill, V. F.; Thomson, R. J.; Geiger, F. M.

    2014-10-01

    Secondary organic aerosol (SOA) particles, formed from gas-phase biogenic volatile organic compounds (BVOCs), contribute large uncertainties to the radiative forcing that is associated with aerosols in the climate system. Reactive uptake of surface-active organic oxidation products of BVOCs at the gas-aerosol interface can potentially decrease the overall aerosol surface tension and therefore influence their propensity to act as cloud condensation nuclei (CCN). Here, we synthesize and measure some climate-relevant physical properties of SOA particle constituents consisting of the isoprene oxidation products α-, δ-, and cis- and trans-β-IEPOX (isoprene epoxide), as well as syn- and anti-2-methyltetraol. Following viscosity measurements, we use octanol-water partition coefficients to quantify the relative hydrophobicity of the oxidation products while dynamic surface tension measurements indicate that aqueous solutions of α- and trans-β-IEPOX exhibit significant surface tension depression. We hypothesize that the surface activity of these compounds may enhance aerosol CCN activity, and that trans-β-IEPOX may be highly relevant for surface chemistry of aerosol particles relative to other IEPOX isomers.

  17. Spin-on carbon based on fullerene derivatives as hardmask materials for high-aspect-ratio etching

    NASA Astrophysics Data System (ADS)

    Frommhold, Andreas; Palmer, Richard E.; Robinson, Alex P. G.

    2013-07-01

    The advance of lithographic resolution has made it necessary to adopt extremely thin photoresist films for the fabrication of "2× nm" structures in order to mitigate problems such as resist collapse during development but limiting achievable etch depths at the same time. By using multilayer hardmask stacks, a considerable increase in achievable aspect ratio is possible. We have previously presented a fullerene-based spin-on carbon hardmask material capable of high-aspect-ratio etching. We report our latest findings in material characterization of an original and a modified formulation. By using a higher adduct derivative fullerene, the solubility in industry-friendly solvents and thermal stability could be improved. The etching performance and materials characteristics of the new higher-adduct fullerene hardmask were found to be comparable to those of the original hardmask.

  18. 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

  19. IR spectroscopy studies of zeolites in geopolymeric materials derived from kaolinite

    NASA Astrophysics Data System (ADS)

    Król, M.; Minkiewicz, J.; Mozgawa, W.

    2016-12-01

    This study investigated the effect of alkali activation process conditions on the IR spectra, on which amount and types of zeolites in the resultant geopolymers influence significantly. Kaolinite was used as starting materials. The kaolinitic clay was first calcined to transform into the amorphous aluminosilicate phases (metakaolinite) and then activated with sodium silicate (as water glass) and sodium hydroxide. The effects of reaction systems composition (expressed as SiO2/Al2O3 and Al2O3/Na2O molar ratios) as well as synthesis temperature on the phase composition of obtained products have been determined. In particular, the structures of materials were examined using FT-IR spectroscopy in the middle infrared range. The results were compared to the XRD measurements, as well as SEM observations. Alkali-activation treatment of the metakaolin yielded bulk materials with different amounts and types of zeolite, which reveal the IR spectra of received materials. With proper selection of the initial conditions (temperature and composition), it is possible to obtain a solid material containing zeolite phase such as zeolite X, zeolite A or sodalite. The presence of zeolite phase was confirmed by the measurement of spectra in the middle infrared. In particular in pseudolattice range of the spectra, i.e. 800-400 cm-1, there are bands associated with the ring vibrations, which are characteristic for secondary building units (SBU) occurred in zeolite structure. IR spectroscopy is also useful in the studies of resulting amorphous phase structure.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. A simple and rapid assay for specific identification of bovine derived products in biocomplex materials.

    PubMed

    Khairalla, Khairalla M S; Aradaib, Imadeldin E; Bakhiet, Amel O; Hassan, Tigani; Hago, Badr E; Saeed, Abdel-Rahman

    2007-04-15

    A simple and rapid method for specific identification of beef or bovine-derived products in processed food and in animal feed concentrates was developed and evaluated using Polymerase Chain Reaction (PCR). The mitochondrial cytochrome-b (mtcyt-b) gene was used as a target DNA for PCR amplification. Three primers derived from a highly conserved region of bovine mtcyt-b gene were used. The outer pair of primers (RSL1 and CSR2) produced a 365 base pair (bp) PCR ampilicon from bovine DNA, while the internal semi-nested pair of primers (CSL1 and CSR2) were used to amplify a 284 bp PCR ampilicon, internal to the annealing sites of primers (RSL1 and CSR2). Both ampilicons were identified easily after visualization on agarose gel stained with ethidium bromide. The specificity studies indicated that the primary or the semi-nested PCR products were not amplified from DNA extracted from different ruminant species including, sheep, goat and ghazals; or from non-ruminant animals including camels, horses and pigs. Also was found very sensitive because could detect 0.001% (W/V) of bovine mtcyt-b gene. The semi-nested amplification was necessary to increase the sensitivity of the PCR assay and to confirm the identity of the primary PCR ampilicons. The described PCR assay detected the primary and the semi-nested PCR ampilicons from different animal feed concentrates containing bovine-derived product including, canned food, poultry and dairy feed concentrates. The described PCR assay should facilitate rapid detection of beef and bovine-derived products in processed food and in animal feed concentrates.

  5. Highly selective and stable carbon dioxide uptake in polyindole-derived microporous carbon materials.

    PubMed

    Saleh, Muhammad; Tiwari, Jitendra N; Kemp, K Christain; Yousuf, Muhammad; Kim, Kwang S

    2013-05-21

    Adsorption with solid sorbents is considered to be one of the most promising methods for the capture of carbon dioxide (CO₂) from power plant flue gases. In this study, microporous carbon materials used for CO₂ capture were synthesized by the chemical activation of polyindole nanofibers (PIF) at temperatures from 500 to 800 °C using KOH, which resulted in nitrogen (N)-doped carbon materials. The N-doped carbon materials were found to be microporous with an optimal adsorption pore size for CO₂ of 0.6 nm and a maximum (Brunauer-Emmett-Teller) BET surface area of 1185 m(2) g(-1). The PIF activated at 600 °C (PIF6) has a surface area of 527 m(2) g(-1) and a maximum CO₂ storage capacity of 3.2 mmol g(-1) at 25 °C and 1 bar. This high CO₂ uptake is attributed to its highly microporous character and optimum N content. Additionally, PIF6 material displays a high CO₂ uptake at low pressure (1.81 mmol g(-1) at 0.2 bar and 25 °C), which is the best low pressure CO₂ uptake reported for carbon-based materials. The adsorption capacity of this material remained remarkably stable even after 10 cycles. The isosteric heat of adsorption was calculated to be in the range of 42.7-24.1 kJ mol(-1). Besides the excellent CO₂ uptake and stability, PIF6 also exhibits high selectivity values for CO₂ over N₂, CH₄, and H₂ of 58.9, 12.3, and 101.1 at 25 °C, respectively, and these values are significantly higher than reported values.

  6. Volatile element chemistry during metamorphism of ordinary chondritic material and some of its implications for the composition of asteroids

    NASA Astrophysics Data System (ADS)

    Schaefer, Laura; Fegley, Bruce

    2010-02-01

    We used chemical equilibrium calculations to model thermal metamorphism of ordinary chondritic material as a function of temperature, pressure, and trace element abundance and use our results to discuss volatile mobilization during thermal metamorphism of ordinary chondrite parent bodies. We compiled trace element abundances in H-, L-, and LL-chondrites for the elements Ag, As, Au, Bi, Br, Cd, Cs, Cu, Ga, Ge, I, In, Pb, Rb, Sb, Se, Sn, Te, Tl, and Zn, and identified abundance trends as a function of petrographic type within each class. We calculated volatility sequences for the trace elements in ordinary chondritic material, which differ significantly from the solar nebula volatility sequence. Our results are consistent with open-system thermal metamorphism. Abundance patterns of Ag and Zn remain difficult to explain.

  7. Use of standards and reference materials in the measurement of chlorinated hydrocarbon residues: Chemistry workbook. Technical memo

    SciTech Connect

    Wade, T.L.; Cantillo, A.Y.

    1994-03-01

    The document is a workbook on the use of standards and reference materials for a quality assurance/quality control (QA/QC) program for marine pollution studies of chlorinated hydrocarbons. The first sections of this workbook give details of sample collection, archival, extraction, instrumental analyses, and data reduction under proper QA/QC procedures. The last sections give examples of how the calculations and procedures are actually applied in a laboratory.

  8. 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

  9. 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.

  10. Chemical Modeling of Acid-Base Properties of Soluble Biopolymers Derived from Municipal Waste Treatment Materials

    PubMed Central

    Tabasso, Silvia; Berto, Silvia; Rosato, Roberta; Tafur Marinos, Janeth Alicia; Ginepro, Marco; Zelano, Vincenzo; Daniele, Pier Giuseppe; Montoneri, Enzo

    2015-01-01

    This work reports a study of the proton-binding capacity of biopolymers obtained from different materials supplied by a municipal biowaste treatment plant located in Northern Italy. One material was the anaerobic fermentation digestate of the urban wastes organic humid fraction. The others were the compost of home and public gardening residues and the compost of the mix of the above residues, digestate and sewage sludge. These materials were hydrolyzed under alkaline conditions to yield the biopolymers by saponification. The biopolymers were characterized by 13C NMR spectroscopy, elemental analysis and potentiometric titration. The titration data were elaborated to attain chemical models for interpretation of the proton-binding capacity of the biopolymers obtaining the acidic sites concentrations and their protonation constants. The results obtained with the models and by NMR spectroscopy were elaborated together in order to better characterize the nature of the macromolecules. The chemical nature of the biopolymers was found dependent upon the nature of the sourcing materials. PMID:25658795

  11. Reproducibility for linear and nonlinear micro-finite element simulations with density derived material properties of the human radius.

    PubMed

    Christen, David; Zwahlen, Alexander; Müller, Ralph

    2014-01-01

    Finite element (FE) simulations based on high-resolution peripheral quantitative computed-tomography (HRpQCT) measurements provide an elegant and direct way to estimate bone strength. Parallel solvers for nonlinear FE simulations allow the assessment not only of the initial linear elastic behavior of the bone but also materially and geometrically nonlinear effects. The reproducibility of HRpQCT measurements, as well as their analysis of microarchitecture using linear-elastic FE simulations with a homogeneous elastic modulus has been investigated before. However, it is not clear to which extent density-derived and nonlinear FE simulations are reproducible. In this study, we introduced new mechanical indices derived from nonlinear FE simulations that describe the onset of yielding and the behavior at maximal load. Using 14 embalmed forearms that were imaged three times, we found that in general the in vitro reproducibility of the nonlinear FE simulations is as good as the reproducibility of linear FE. For the nonlinear simulations precision errors (PEs) ranged between 0.4 and 3.2% and intraclass correlation coefficients were above 0.9. In conclusion, nonlinear FE simulations with density derived material properties contain important additional information that is independent from the results of the linear simulations.

  12. Light-based theranostics using hybrid structures derived from biological and organic materials

    NASA Astrophysics Data System (ADS)

    Vankayala, Raviraj; Burns, Joshua M.; Mac, Jenny T.; Anvari, Bahman

    2016-09-01

    We have engineered hybrid nanostructures derived from erythrocytes, which can be doped with various near infrared (NIR) organic chromophores, including the FDA-approved indocyanine green (ICG). We refer to these vesicles as NIR erythrocyte-mimicking transducers (NETs), as they are capable of generating heat, reactive oxygen species (ROS) or emit fluorescence light. We present preliminary results that demonstrate the effectiveness of NETs for fluorescence imaging and photodynamic therapeutic destruction of breast cancer cells, upon photo-excitation using NIR light. These hybrid nanostructures present a promising platform with theranostic capability for future biomedical clinical applications.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Food safety concerns deriving from the use of silver based food packaging materials.

    PubMed

    Pezzuto, Alessandra; Losasso, Carmen; Mancin, Marzia; Gallocchio, Federica; Piovesana, Alessia; Binato, Giovanni; Gallina, Albino; Marangon, Alberto; Mioni, Renzo; Favretti, Michela; Ricci, Antonia

    2015-01-01

    The formulation of innovative packaging solutions, exerting a functional antimicrobial role in slowing down food spoilage, is expected to have a significant impact on the food industry, allowing both the maintenance of food safety criteria for longer periods and the reduction of food waste. Different materials are considered able to exert the required antimicrobial activity, among which are materials containing silver. However, challenges exist in the application of silver to food contact materials due to knowledge gaps in the production of ingredients, stability of delivery systems in food matrices and health risks caused by the same properties which also offer the benefits. Aims of the present study were to test the effectiveness and suitability of two packaging systems, one of which contained silver, for packaging and storing Stracchino cheese, a typical Italian fresh cheese, and to investigate if there was any potential for consumers to be exposed to silver, via migration from the packaging to the cheese. Results did not show any significant difference in the effectiveness of the packaging systems on packaged Stracchino cheese, excluding that the active packaging systems exerted an inhibitory effect on the growth of spoilage microorganisms. Moreover, silver migrated into the cheese matrix throughout the storage time (24 days). Silver levels in cheese finally exceeded the maximum established level for the migration of a non-authorised substance through a functional barrier (Commission of the European Communities, 2009). This result poses safety concerns and strongly suggests the need for more research aimed at better characterizing the new packaging materials in terms of their potential impacts on human health and the environment.

  20. 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

  1. Transmission FTIR derivative spectroscopy for estimation of furosemide in raw material and tablet dosage form.

    PubMed

    Gallignani, Máximo; Rondón, Rebeca A; Ovalles, José F; Brunetto, María R

    2014-10-01

    A Fourier transform infrared derivative spectroscopy (FTIR-DS) method has been developed for determining furosemide (FUR) in pharmaceutical solid dosage form. The method involves the extraction of FUR from tablets with N,N-dimethylformamide by sonication and direct measurement in liquid phase mode using a reduced path length cell. In general, the spectra were measured in transmission mode and the equipment was configured to collect a spectrum at 4 cm(-1) resolution and a 13 s collection time (10 scans co-added). The spectra were collected between 1400 cm(-1) and 450 cm(-1). Derivative spectroscopy was used for data processing and quantitative measurement using the peak area of the second order spectrum of the major spectral band found at 1165 cm(-1) (SO2 stretching of FUR) with baseline correction. The method fulfilled most validation requirements in the 2 mg/mL and 20 mg/mL range, with a 0.9998 coefficient of determination obtained by simple calibration model, and a general coefficient of variation <2%. The mean recovery for the proposed assay method resulted within the (100±3)% over the 80%-120% range of the target concentration. The results agree with a pharmacopoeial method and, therefore, could be considered interchangeable.

  2. 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.

  3. Metal-Ligand Interactions and Salt Bridges as Sacrificial Bonds in Mussel Byssus-Derived Materials.

    PubMed

    Byette, Frédéric; Laventure, Audrey; Marcotte, Isabelle; Pellerin, Christian

    2016-10-10

    The byssus that anchors mussels to solid surfaces is a protein-based material combining strength and toughness as well as a self-healing ability. These exceptional mechanical properties are explained in part by the presence of metal ions forming sacrificial bonds with amino acids. In this study, we show that the properties of hydrogel films prepared from a byssus protein hydrolyzate (BPH) can also be improved following the biomimetic formation of sacrificial bonds. Strengthening and toughening of the materials are both observed when treating films with multivalent ions (Ca(2+) or Fe(3+)) or at the BPH isoelectric point (pI) as a result of the formation of metal-ligand bonds and salt bridges, respectively. These treatments also provide a self-healing behavior to the films during recovery time following a deformation. While pI and Ca(2+) treatments have a similar but limited pH-dependent effect, the modulus, strength, and toughness of the films increase largely with Fe(3+) concentration and reach much higher values. The affinity of Fe(3+) with multiple amino acid ligands, as shown by vibrational spectroscopy, and the more covalent nature of this interaction can explain these observations. Thus, a judicious choice of treatments on polyampholyte protein-based materials enables control of their mechanical performance and self-healing behavior through the strategic exploitation of reversible sacrificial bonds.

  4. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-08-01

    We report on a one-step method for preparing nitrogen doped (N-doped) meso-/microporous hybrid carbon material (NCF) via the heat treatment of used cigarette filters under a nitrogen-containing atmosphere. The used cigarette filter, which is mostly composed of cellulose acetate fibers, can be transformed into a porous carbon material that contains both the mesopores and micropores spontaneously. The unique self-developed pore structure allowed a favorable pathway for electrolyte permeation and contact probability, resulting in the extended rate capability for the supercapacitor. The NCF exhibited a better rate capability and higher specific capacitance (153.8 F g-1) compared to that of conventional activated carbon (125.0 F g-1) at 1 A g-1. These findings indicate that the synergistic combination of well-developed meso-/micropores, an enlarged surface area and pseudocapacitive behavior leads to the desired supercapacitive performance. The prepared carbon material is capable of reproducing its electrochemical performance during the 6000 cycles required for charge and discharge measurements.

  6. "Click chemistry" in tailor-made polymethacrylates bearing reactive furfuryl functionality: a new class of self-healing polymeric material.

    PubMed

    Kavitha, A Amalin; Singha, Nikhil K

    2009-07-01

    This investigation reports the effective use of the Diels-Alder (DA) reaction, a "click reaction" in the preparation of thermally amendable and self-healing polymeric materials having reactive furfuryl functionality. In this case, the DA and retro-DA (rDA) reactions were carried out between the tailor-made homo- and copolymer of furfuryl methacrylate prepared by atom-transfer radical polymerization and a bismaleimide (BM). The kinetic studies of DA and rDA reactions were carried out using Fourier transform infrared spectroscopy. The DA polymers were insoluble in toluene at room temperature. When the DA polymers were heated at 100 degrees C in toluene, it was soluble. This is because of the cleavage between furfuryl functionality and BM. The chemical cross-link density was determined by the Flory-Rehner equation. The cross-linked polymer showed much greater adhesive strength at room temperature, but the adhesive strength was quite low at higher temperature. The self-healing capability was studied by using scanning electron microscopy analysis. The thermal and dynamic mechanical properties of the thermally amendable cross-linked materials were investigated by thermogravimetric analysis and dynamic mechanical analysis.

  7. Human plasma-derived material with clonidine displacing substance (CDS)-like properties contracts the isolated rat aorta.

    PubMed

    Synetos, D; Manolopoulos, V G; Atlas, D; Pipili-Synetos, E

    1991-12-01

    1. The biological activity of a plasma-derived, clonidine displacing substance (CDS)-like material was tested on isolated rat aortic rings and compared to that of clonidine, an imidazoline with alpha 2-adrenoceptor agonist properties. 2. The CDS-like material was partially purified from expired human blood. This product inhibited in a dose-dependent manner the binding of [3H]-clonidine to rat brain membranes with a ki of 0.87 +/- 0.4 u ml-1, without affecting the binding of the alpha 1-antagonist, [3H]-WB4101. 3. When the CDS-like material (0.14-6 u ml-1) was applied to the bathing medium of isolated rat aortic rings, it caused dose-dependent contractions with an EC50 of 1.0 +/- 0.18 u ml-1. Clonidine also dose-dependently contracted rat aortic rings (EC50, 1.1 +/- 0.24 x 10(-7) M). The maximal tension developed in response to clonidine, however, was higher (1.37 +/- 0.15 g) compared to that developed in response to the CDS-like material (0.92 +/- 0.12 g). 4. Contractions induced by both CDS-like material and clonidine were antagonized by 5 x 10(-7) M rauwolscine, an alpha 2-adrenoceptor antagonist. Prazosin, an alpha 1-adrenoceptor antagonist, at 10(-8) M, greatly reduced contractions caused by clonidine while leaving those caused by CDS-like material unaffected. 5. The CDS-like material failed to alter the tension of intact or endothelium-denuded rat aortic rings which had been precontracted with methoxamine. Clonidine on the other hand, caused dose-dependent relaxations in intact, though not in denuded, precontracted rat aortic rings.(ABSTRACT TRUNCATED AT 250 WORDS)

  8. 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).

  9. 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)

  10. 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.

  11. High aspect ratio materials: role of surface chemistry vs. length in the historical "long and short amosite asbestos fibers".

    PubMed

    Tomatis, Maura; Turci, Francesco; Ceschino, Raffaella; Riganti, Chiara; Gazzano, Elena; Martra, Gianmario; Ghigo, Dario; Fubini, Bice

    2010-10-01

    In nanotoxicology the question arises whether high aspect ratio materials should be regarded as potentially pathogenic like asbestos, merely on the base of their biopersistence and length to diameter ratio. A higher pathogenicity of long asbestos fibers is associated to their slower clearance and frustrated phagocytosis. In the past decades, two amosite fibers were prepared and studied to confirm the role of fiber length in asbestos toxicity. Long fiber amosite (LFA) and short fiber amosite (SFA) have here been revisited, to check differences in their surface properties, known to modulate the biological responses elicited. We report: (i) micromorphology (abundance of exposed cylindrical vs. truncated surfaces; (ii) surface reactivity (oxidation and coordination state of surface iron, free radical generation and oxidizing potential); (iii) activation of nitric oxide (NO) synthase in lung epithelial cells, as representative of an inflammatory cell response. LFA shows a higher free radical yield, stimulates, more than SFA, NO production by cells and reacts with ascorbic acid, thus depriving the lung lining layer of its antioxidant defenses. The higher activity of LFA than SFA is ascribed to the presence of Fe2+ ions poorly coordinated to the surface. SFA shows only a large number of loosely bound Fe3+ ions, pristine Fe2+ ions having been oxidized during the grinding process converting LFA into SFA. Several factors determine a higher toxicity of LFA than SFA, beside length. The lesson from asbestos indicates that other features besides aspect ratio contribute to the pathogenic potential of a fiber type. All these aspects should be considered when predicting the possible hazard associated to any new fibrous material proposed to the market, let alone nanofibers.

  12. 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.

  13. 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.

  14. 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.

  15. Biphasic thermoelectric materials derived from the half-Heusler/full-Heusler system Ti-Ni-Sn

    NASA Astrophysics Data System (ADS)

    Douglas, Jason Everett

    Among the possible avenues for increasing the efficiency of global energy usage, thermoelectrics are an exciting, solid-state option. Thermoelectric materials, which convert an internal temperature gradient into a voltage and vice versa, have found applications in refrigeration as well as power generation from waste heat. TiNiSn, a semiconductor of the half-Heusler (hH) crystal structure, is of particular interest due to its very favorable electronic transport properties, conductivity (sigma) and Seebeck coefficient ( S), at relevant temperature regimes (between 600 K and 900 K). Unfortunately, its overall efficiency is hampered by a comparatively high thermal conductivity (kappa). In the design of thermoelectric materials, a number of approaches have been taken to increase the thermoelectric figure of merit, ZT = ( S2sigma/kappa)T, where T is temperature. In this work we examine how microstructure can be used to alter these thermoelectric propertiesin a biphasic Ti-Ni-Sn materials containing full-Heusler (fH) TiNi2Sn embedded within hH thermoelectric TiNiSn. We explored a wide range of Ni compositions in TiNi1+xSn--from stoichiometric TiNiSn to high Heusler volume fraction, TiNi1.25Sn--materials prepared by levitation induction melting followed by annealing. Phase distributions and microstructure were characterized using synchrotron x-ray diffraction and optical and electron microscopy. In a sample of the nominal composition TiNi1.15Sn, a significant decrease in thermal conductivity (about 30%) is observed for the biphasic material despite the metallic second-phase particles existing at the micrometer scale; a 50% increase in the electrical conductivity is also measured. These result in a maximum figure of merit, ZT, of 0.44 at 800 K, which is 25% greater than is observed for the x = 0 sample. Density functional theory calculations using hybrid functionals were performed to determine band alignments between the half- and full-Heusler compounds, as well as

  16. Hierarchical, titania-coated, carbon nanofibrous material derived from a natural cellulosic substance.

    PubMed

    Liu, Xiaoyan; Gu, Yuanqing; Huang, Jianguo

    2010-07-12

    Hierarchical, titania-coated, nanofibrous, carbon hybrid materials were fabricated by employing natural cellulosic substances (commercial filter paper) as a scaffold and carbon precursor. Ultrathin titania films were firstly deposited by means of a surface sol-gel process to coat each nanofiber in the filter paper, and successive calcination treatment under nitrogen atmosphere yielded the titania-carbon composite possessing the hierarchical morphologies and structures of the initial paper. The ultrathin titania coating hindered the coalescence effect of the carbon species that formed during the carbonization process of cellulose, and the original cellulose nanofibers were converted into porous carbon nanofibers (diameters from tens to hundreds of nanometers, with 3-6 nm pores) that were coated with uniform anatase titania thin films (thickness approximately 12 nm, composed of anatase nanocrystals with sizes of approximately 4.5 nm). This titania-coated, nanofibrous, carbon material possesses a specific surface area of 404 m(2) g(-1), which is two orders of magnitude higher than the titania-cellulose hybrid prepared by atomic layer deposition of titania on the cellulose fibers of filter paper. The photocatalytic activity of the titania-carbon composite was evaluated by the improved photodegradation efficiency of different dyes in aqueous solutions under high-pressure, fluorescent mercury-lamp irradiation, as well as the effective photoreduction performance of silver cations to silver nanoparticles with ultraviolet irradiation.

  17. Natural sisal fibers derived hierarchical porous activated carbon as capacitive material in lithium ion capacitor

    NASA Astrophysics Data System (ADS)

    Yang, Zhewei; Guo, Huajun; Li, Xinhai; Wang, Zhixing; Yan, Zhiliang; Wang, Yansen

    2016-10-01

    Lithium-ion capacitor (LIC) is a novel advanced electrochemical energy storage (EES) system bridging gap between lithium ion battery (LIB) and electrochemical capacitor (ECC). In this work, we report that sisal fiber activated carbon (SFAC) was synthesized by hydrothermal treatment followed by KOH activation and served as capacitive material in LIC for the first time. Different particle structure, morphology, specific surface area and heteroatoms affected the electrochemical performance of as-prepared materials and corresponding LICs. When the mass ratio of KOH to char precursor was 2, hierarchical porous structured SFAC-2 was prepared and exhibited moderate specific capacitance (103 F g-1 at 0.1 A g-1), superior rate capability and cyclic stability (88% capacity retention after 5000 cycles at 1 A g-1). The corresponding assembled LIC (LIC-SC2) with optimal comprehensive electrochemical performance, displayed the energy density of 83 Wh kg-1, the power density of 5718 W kg-1 and superior cyclic stability (92% energy density retention after 1000 cycles at 0.5 A g-1). It is worthwhile that the source for activated carbon is a natural and renewable one and the synthesis method is eco-friendly, which facilitate that hierarchical porous activated carbon has potential applications in the field of LIC and other energy storage systems.

  18. High-Performance Energy Storage and Conversion Materials Derived from a Single Metal-Organic Framework/Graphene Aerogel Composite.

    PubMed

    Xia, Wei; Qu, Chong; Liang, Zibin; Zhao, Bote; Dai, Shuge; Qiu, Bin; Jiao, Yang; Zhang, Qiaobao; Huang, Xinyu; Guo, Wenhan; Dang, Dai; Zou, Ruqiang; Xia, Dingguo; Xu, Qiang; Liu, Meilin

    2017-04-13

    Metal oxides and carbon-based materials are the most promising electrode materials for a wide range of low-cost and highly efficient energy storage and conversion devices. Creating unique nanostructures of metal oxides and carbon materials is imperative to the development of a new generation of electrodes with high energy and power density. Here we report our findings in the development of a novel graphene aerogel assisted method for preparation of metal oxide nanoparticles (NPs) derived from bulk MOFs (Co-based MOF, Co(mIM)2 (mIM = 2-methylimidazole). The presence of cobalt oxide (CoOx) hollow NPs with a uniform size of 35 nm monodispersed in N-doped graphene aerogels (NG-A) was confirmed by microscopic analyses. The evolved structure (denoted as CoOx/NG-A) served as a robust Pt-free electrocatalyst with excellent activity for the oxygen reduction reaction (ORR) in an alkaline electrolyte solution. In addition, when Co was removed, the resulting nitrogen-rich porous carbon-graphene composite electrode (denoted as C/NG-A) displayed exceptional capacitance and rate capability in a supercapacitor. Further, this method is readily applicable to creation of functional metal oxide hollow nanoparticles on the surface of other carbon materials such as graphene and carbon nanotubes, providing a good opportunity to tune their physical or chemical activities.

  19. Hierarchical micro- and mesoporous carbide-derived carbon as a high-performance electrode material in supercapacitors.

    PubMed

    Rose, Marcus; Korenblit, Yair; Kockrick, Emanuel; Borchardt, Lars; Oschatz, Martin; Kaskel, Stefan; Yushin, Gleb

    2011-04-18

    Ordered mesoporous carbide-derived carbon (OM-CDC) materials produced by nanocasting of ordered mesoporous silica templates are characterized by a bimodal pore size distribution with a high ratio of micropores. The micropores result in outstanding adsorption capacities and the well-defined mesopores facilitate enhanced kinetics in adsorption processes. Here, for the first time, a systematic study is presented, in which the effects of synthesis temperature on the electrochemical performance of these materials in supercapacitors based on a 1 M aqueous solution of sulfuric acid and 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid are reported. Cyclic voltammetry shows the specific capacitance of the OM-CDC materials exceeds 200 F g(-1) in the aqueous electrolyte and 185 F g(-1) in the ionic liquid, when measured in a symmetric configuration in voltage ranges of up to 0.6 and 2 V, respectively. The ordered mesoporous channels in the produced OM-CDC materials serve as ion-highways and allow for very fast ionic transport into the bulk of the OM-CDC particles. At room temperature the enhanced ion transport leads to 75% and 90% of the capacitance retention at current densities in excess of ∼10 A g(-1) in ionic liquid and aqueous electrolytes, respectively. The supercapacitors based on 250-300 μm OM-CDC electrodes demonstrate an operating frequency of up to 7 Hz in aqueous electrolyte. The combination of high specific capacitance and outstanding rate capabilities of the OM-CDC materials is unmatched by state-of-the art activated carbons and strictly microporous CDC materials.

  20. Measurable and Influential Parameters That Influence Corrosion Performance Differences between Multiwall Carbon Nanotube Coating Material Combinations and Model Parent Material Combinations Derived from Epoxy-Amine Matrix Materials.

    PubMed

    Curtzwiler, Greg W; Williams, Eric B; Maples, Austin L; Wand, Steven W; Rawlins, James W

    2017-02-22

    Protective coatings are often erroneously thought of as perfect environmental barriers for metal substrates; however, a host of corrosion inducing environmental contaminants permeate through defect-free coatings. Carbon nanotubes are high aspect ratio nanofillers with unique mechanical, electrical, and polymer interaction properties with well-established yet, for practical reasons, often unrealized potential. The research objective was to quantify and understand the influential effects and relationships between low concentration levels of multiwall carbon nanotubes (MWCNT) dispersed into epoxy-amine matrix materials and the different water hydrogen bonding interactions on corrosion rates of steel substrates. We hypothesize that when water directly hydrogen bonds with polymer, substrate and/or MWCNTS, the localized water's capacity to transfer environmental contaminants through the coating, i.e., to and from the substrate, diminishes due to a reduced potential to contribute to the formation of water hydration shells and therefore aid in diminishing the corrosion rate. We measured the absolute pre-exposure water content, and monitored to delineate between the ratio and shifting ratio of in situ free versus bound water hydrogen bonding interactions at the coating/air interface using ATR-FTIR spectroscopy in a 5% NaCl fog environment in an attempt to correlate these differences with experimental corrosion rates. Free water content was reduced from ∼20% to <1% of the total water concentration when 1.0 wt % MWCNTs was dispersed into the parent polymer network. Concurrently, the bound water content was measured to shift from ∼2% to >80% with the same MWCNT concentration. The MWCNT bound water resulted in 25% less corrosion for the same steel substrates albeit the measured water vapor diffusivity was the same for each material combination evaluated. Interestingly, the measured pre-exposure bound water content was predictive of which material would corrode slowest and

  1. Catechol-modified activated carbon prepared by the diazonium chemistry for application as active electrode material in electrochemical capacitor.

    PubMed

    Pognon, Grégory; Cougnon, Charles; Mayilukila, Dilungane; Bélanger, Daniel

    2012-08-01

    Activated carbon (Black Pearls 2000) modified with electroactive catechol groups was evaluated for charge storage application as active composite electrode material in an aqueous electrochemical capacitor. High surface area Black Pearls 2000 carbon was functionalized by introduction of catechol groups by spontaneous reduction of catechol diazonium ions in situ prepared in aqueous solution from the corresponding amine. Change in the specific surface area and pore texture of the carbon following grafting was monitored by nitrogen gas adsorption measurements. The electrochemical properties and the chemical composition of the catechol-modified carbon electrodes were investigated by cyclic voltammetry. Such carbon-modified electrode combines well the faradaic capacitance, originating from the redox activity of the surface immobilized catechol groups, to the electrochemical double layer capacitance of the high surface area Black Pearls carbon. Due to the faradaic contribution, the catechol-modified electrode exhibits a higher specific capacitance (250 F/g) than pristine carbon (150 F/g) over a potential range of -0.4 to 0.75 V in 1 M H(2)SO(4). The stability of the modified electrode evaluated by long-time charge/discharge cycling revealed a low decrease of the capacitance of the catechol-modified carbon due to the loss of the catechol redox activity. Nonetheless, it was demonstrated that the benefit of redox groups persists for 10, 000 constant current charge/discharge cycles.

  2. Tunable electronic and magnetic properties of two‐dimensional materials and their one‐dimensional derivatives

    PubMed Central

    Zhang, Zhuhua; Liu, Xiaofei; Yu, Jin; Hang, Yang; Li, Yao; Guo, Yufeng; Xu, Ying; Sun, Xu; Zhou, Jianxin

    2016-01-01

    Low‐dimensional materials exhibit many exceptional properties and functionalities which can be efficiently tuned by externally applied force or fields. Here we review the current status of research on tuning the electronic and magnetic properties of low‐dimensional carbon, boron nitride, metal‐dichalcogenides, phosphorene nanomaterials by applied engineering strain, external electric field and interaction with substrates, etc, with particular focus on the progress of computational methods and studies. We highlight the similarities and differences of the property modulation among one‐ and two‐dimensional nanomaterials. Recent breakthroughs in experimental demonstration of the tunable functionalities in typical nanostructures are also presented. Finally, prospective and challenges for applying the tunable properties into functional devices are discussed. WIREs Comput Mol Sci 2016, 6:324–350. doi: 10.1002/wcms.1251 For further resources related to this article, please visit the WIREs website. Conflict of interest: The authors have declared no conflicts of interest for this article. PMID:27818710

  3. 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.

  4. 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.

  5. 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.

  6. 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…

  7. On the derivation of passive 3D material parameters from 1D stress-strain data of hydrostats.

    PubMed

    Winkel, Benjamin; Schleichardt, Axel

    2011-07-28

    The present paper offers a novel equivalent-pressure approach to the derivation of isotropic passive muscle parameters from 1D stress-strain data sets. The approach aims specifically at the identification of material parameters in hydrostats, in which case the equivalent-force approach that is common for skeletal muscle generates suboptimal results. Instead, an equivalent-pressure hypothesis is formulated which provides more adequate boundary conditions for the concluding curve-fitting procedure. The choice of an appropriate constitutive description is decisive for the quality of the deduced parameter sets. Here, a Yeoh material law is chosen for the model of a squid tentacle. Parameters derived by both, equivalent-force and equivalent-pressure algorithms, are compared, illustrating the applicability limits of either. They are implemented in a finite element model of the tentacle. A prey-capture strike is simulated and compared to data from literature. The hydrostat-specific interpretation of the equivalent-pressure hypothesis is shown to match the reference very well.

  8. 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.

  9. 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).

  10. 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

  11. Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS.

    PubMed

    Belsey, Natalie A; Cant, David J H; Minelli, Caterina; Araujo, Joyce R; Bock, Bernd; Brüner, Philipp; Castner, David G; Ceccone, Giacomo; Counsell, Jonathan D P; Dietrich, Paul M; Engelhard, Mark H; Fearn, Sarah; Galhardo, Carlos E; Kalbe, Henryk; Won Kim, Jeong; Lartundo-Rojas, Luis; Luftman, Henry S; Nunney, Tim S; Pseiner, Johannes; Smith, Emily F; Spampinato, Valentina; Sturm, Jacobus M; Thomas, Andrew G; Treacy, Jon P W; Veith, Lothar; Wagstaffe, Michael; Wang, Hai; Wang, Meiling; Wang, Yung-Chen; Werner, Wolfgang; Yang, Li; Shard, Alexander G

    2016-10-27

    We report the results of a VAMAS (Versailles Project on Advanced Materials and Standards) inter-laboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and; particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage or sample preparation resulted in a variability in thickness of 53 %. The calculation method chosen by XPS participants contributed a variability of 67 %. However, variability of 12 % was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors, since this contributed a variability of 33 %. The results from the LEIS participants were more consistent, with variability of less than 10 % in thickness and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results.

  12. Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS

    SciTech Connect

    Belsey, Natalie A.; Cant, David J. H.; Minelli, Caterina; Araujo, Joyce R.; Bock, Bernd; Brüner, Philipp; Castner, David G.; Ceccone, Giacomo; Counsell, Jonathan D. P.; Dietrich, Paul M.; Engelhard, Mark H.; Fearn, Sarah; Galhardo, Carlos E.; Kalbe, Henryk; Kim, Jeong Won; Lartundo-Rojas, Luis; Luftman, Henry S.; Nunney, Tim S.; Pseiner, Johannes; Smith, Emily F.; Spampinato, Valentina; Sturm, Jacobus M.; Thomas, Andrew G.; Treacy, Jon P. W.; Veith, Lothar; Wagstaffe, Michael; Wang, Hai; Wang, Meiling; Wang, Yung-Chen; Werner, Wolfgang; Yang, Li; Shard, Alexander G.

    2016-10-27

    We report the results of a VAMAS (Versailles Project on Advanced Materials and Standards) inter-laboratory study on the measurement of the shell thickness and chemistry of nanoparticle coatings. Peptide-coated gold particles were supplied to laboratories in two forms: a colloidal suspension in pure water and; particles dried onto a silicon wafer. Participants prepared and analyzed these samples using either X-ray photoelectron spectroscopy (XPS) or low energy ion scattering (LEIS). Careful data analysis revealed some significant sources of discrepancy, particularly for XPS. Degradation during transportation, storage or sample preparation resulted in a variability in thickness of 53 %. The calculation method chosen by XPS participants contributed a variability of 67 %. However, variability of 12 % was achieved for the samples deposited using a single method and by choosing photoelectron peaks that were not adversely affected by instrumental transmission effects. The study identified a need for more consistency in instrumental transmission functions and relative sensitivity factors, since this contributed a variability of 33 %. The results from the LEIS participants were more consistent, with variability of less than 10 % in thickness and this is mostly due to a common method of data analysis. The calculation was performed using a model developed for uniform, flat films and some participants employed a correction factor to account for the sample geometry, which appears warranted based upon a simulation of LEIS data from one of the participants and comparison to the XPS results.

  13. The chemistry of iron, aluminum, and dissolved organic material in three acidic, metal-enriched, mountain streams, as controlled by watershed and in-stream processes

    USGS Publications Warehouse

    McKnight, Diane M.; Bencala, Kenneth E.

    1990-01-01

    Several studies were conducted in three acidic, metal-enriched, mountain streams, and the results are discussed together in this paper to provide a synthesis of watershed and in-stream processes controlling Fe, Al, and DOC (dissolved organic carbon) concentrations. One of the streams, the Snake River, is naturally acidic; the other two, Peru Creek and St. Kevin Gulch, receive acid mine drainage. Analysis of stream water chemistry data for the acidic headwaters of the Snake River shows that some trace metal solutes (Al, Mn, Zn) are correlated with major ions, indicating that watershed processes control their concentrations. Once in the stream, biogeochemical processes can control transport if they occur over time scales comparable to those for hydrologic transport. Examples of the following in-stream reactions are presented: (1) photoreduction and dissolution of hydrous iron oxides in response to an experimental decrease in stream pH, (2) precipitation of Al at three stream confluences, and (3) sorption of dissolved organic material by hydrous iron and aluminum oxides in a stream confluence. The extent of these reactions is evaluated using conservative tracers and a transport model that includes storage in the substream zone.

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. 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.

  19. Surface properties of in vitro bioactive and non-bioactive sol-gel derived materials.

    PubMed

    Viitala, R; Jokinen, M; Peltola, T; Gunnelius, K; Rosenholm, J B

    2002-08-01

    The acid-base properties of several in vitro bioactive (able to form bone mineral-like calcium phosphate on their surfaces) and non-bioactive sol-gel processed oxides are studied. The amount of Lewis acid sites was calculated from the pyridine adsorption using the Langmuir adsorption model. The Henry adsorption model was used in cases where no specific affinity between the adsorbent and the probe molecule was observed. The results were used to calculate the specific amounts of acidic and basic sites on SiO2- and TiO2-based materials. The zeta potential was measured for dip-coated TiO2 films, calcium- and phosphate-doped TiO2 films and for a non-bioactive Al2O3 film. Also, the calcium phosphate formation in simulated body fluid on in vitro bioactive TiO2 film was studied with zeta potential measurements. The results showed dependence on the negative surface charge and the important role of calcium adsorption in the beginning of the calcium phosphate formation. Surface topography of the films was investigated with atomic force microscopy, including a detailed analysis of the peak heights and distribution over cross sections. It was observed that in vitro bioactivity was strongly dependent on the nanoscale dimensions. Consequently, the in vitro calcium phosphate formation seems to be due to both the chemical interactions and the surface structure.

  20. 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.

  1. 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

  2. Amino acid derivative-mediated detoxification and functionalization of dual cure dental restorative material for dental pulp cell mineralization.

    PubMed

    Minamikawa, Hajime; Yamada, Masahiro; Iwasa, Fuminori; Ueno, Takeshi; Deyama, Yoshiaki; Suzuki, Kuniaki; Yawaka, Yasutaka; Ogawa, Takahiro

    2010-10-01

    Current dental restorative materials are only used to fill the defect of hard tissues, such as dentin and enamel, because of their cytotoxicity. Therefore, exposed dental pulp tissues in deep cavities must be first covered by a pulp capping material like calcium hydroxide to form a layer of mineralized tissue. However, this tissue mineralization is based on pathological reaction and triggers long-lasting inflammation, often causing clinical problems. This study tested the ability of N-acetyl cysteine (NAC), amino acid derivative, to reduce cytotoxicity and induce mineralized tissue conductivity in resin-modified glass ionomer (RMGI), a widely used dental restorative material having dual cure mechanism. Rat dental pulp cells were cultured on untreated or NAC-supplemented RMGI. NAC supplementation substantially increased the percentage of viable cells from 46.7 to 73.3% after 24-h incubation. Cell attachment, spreading, proliferative activity, and odontoblast-related gene and protein expressions increased significantly on NAC-supplemented RMGI. The mineralization capability of cells, which was nearly suppressed on untreated RMGI, was induced on NAC-supplemented RMGI. These improved behaviors and functions of dental pulp cells on NAC-supplemented RMGI were associated with a considerable reduction in the production of intracellular reactive oxygen species and with the increased level of intracellular glutathione reserves. These results demonstrated that NAC could detoxify and functionalize RMGIs via two different mechanisms involving in situ material detoxification and antioxidant cell protection. We believe that this study provides a new approach for developing dental restorative materials that enables mineralized tissue regeneration.

  3. An Empirical Calibration of an Al-in-olivine Geothermometer for Mantle-derived Materials

    NASA Astrophysics Data System (ADS)

    de Hoog, J. C.

    2004-12-01

    The concentration of aluminum in olivine from mantle peridotites is variable and strongly temperature dependent, and can therefore be used as a geothermometer. A suite of fresh mantle peridotite xenoliths from the Kaalvallei kimberlite (South-Africa) was used for calibration of the thermometer. The samples contain olivine, opx, cpx, garnet ± spinel. Aluminum contents of the olivines, determined by LA-ICP-MS, range from 8-140 ppm, with a few anomalous values up to 310 ppm. Mg# lie between 91.5 and 93.3. P-T conditions for the peridotites were estimated with the Al-in-opx geobarometer and cpx-opx geothermometer [1], and plot on a conductive geotherm of ca. 40 mW/m2. The temperature range is 900-1380° C. Only samples plotting on the geotherm were considered, as the others showed disequilibrium features. The expression for the thermometer is: T{Al-in-ol }(° C) = 11390 / [ 11.88 - ln(ppm Al) ] - 273 with an average residual of 12° C. As the compositional range of mantle olivine is very small, no correction for major chemical components is necessary. In addition, no correction for Al activity of the system is necessary, as long as an Al-saturated phase such as garnet is present. Combined with the Ca-in-olivine barometer [2], the new thermometer has the potential to determine P-T conditions of single olivines. As olivine is an abundant component of heavy mineral separates from kimberlites, it could serve as a new tool for diamond exploration. Vanadium and Cr show similar temperature-dependent variations to Al, but to a lesser degree, and would therefore yield less accurate geothermometers. In addition, partitioning of these elements is sensitive to variations in oxidation state. The pressure dependence of the thermometer is the subject of future research. Considering the significant pressure effect on Ca and Ti partitioning into olivine, it is recommended that the Al-in-olivine thermometer in its current form is applied to rocks derived from comparable (cratonic

  4. 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,…

  5. 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…

  6. 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)

  7. 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…

  8. Chemistry: Curriculum Guide.

    ERIC Educational Resources Information Center

    Harlandale Independent School District, San Antonio, TX. Career Education Center.

    The guide is arranged in vertical columns relating the chemistry curriculum concepts to curriculum performance objectives, career concepts and career performance objectives, suggested teaching methods, and resource materials. Occupational information for 40 different occupations includes job duties, educational requirements, salary range, and…

  9. 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...

  10. 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.

  11. 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.

  12. Evaluating biomass-derived hierarchically porous carbon as the positive electrode material for hybrid Na-ion capacitors

    NASA Astrophysics Data System (ADS)

    Chen, Jizhang; Zhou, Xiaoyan; Mei, Changtong; Xu, Junling; Zhou, Shuang; Wong, Ching-Ping

    2017-02-01

    As a promising renewable resource, biomass has several advantages such as wide availability, low cost, and versatility. In this study, we use peanut shell, wheat straw, rice straw, corn stalk, cotton stalk, and soybean stalk as the precursors to synthesize hierarchically porous carbon as the positive electrode material for hybrid Na-ion capacitors, aiming to establish a criterion of choosing suitable biomass precursors. The carbon derived from wood-like cotton stalk has abundant interconnected macropores, high surface area of 1994 m2 g-1, and large pore volume of 1.107 cm3 g-1, thanks to which it exhibits high reversible capacitance of 160.5 F g-1 at 0.2 A g-1 and great rate capability, along with excellent cyclability. The carbonaceous positive electrode material is combined with a Na2Ti2.97Nb0.03O7 negative electrode material to assemble a hybrid Na-ion capacitor, which delivers a high specific energy of 169.4 Wh kg-1 at 120.5 W kg-1, ranking among the best-performed hybrid ion capacitors.

  13. 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.

  14. 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.

  15. 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)

  16. 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)

  17. 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)

  18. 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

  19. 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)

  20. 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)