Sample records for hot-recycled-solid conditions chemistry

  1. 42 CFR 493.839 - Condition: Chemistry. (United States)


    ... 42 Public Health 5 2010-10-01 2010-10-01 false Condition: Chemistry. 493.839 Section 493.839... These Tests § 493.839 Condition: Chemistry. The specialty of chemistry includes for the purposes of proficiency testing the subspecialties of routine chemistry, endocrinology, and toxicology. ...

  2. 42 CFR 493.1210 - Condition: Routine chemistry. (United States)


    ... 42 Public Health 5 2010-10-01 2010-10-01 false Condition: Routine chemistry. 493.1210 Section 493....1210 Condition: Routine chemistry. If the laboratory provides services in the subspecialty of Routine chemistry, the laboratory must meet the requirements specified in §§ 493.1230 through 493.1256, § 493.1267...

  3. Presidential Green Chemistry Challenge: 2008 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2008 award winner, Nalco Company, developed 3D TRASAR technology to monitor the condition of cooling water continuously and add chemicals only when needed, saving water and energy.

  4. Contribution of water chemistry and fish condition to otolith chemistry: comparisons across salinity environments. (United States)

    Izzo, C; Doubleday, Z A; Schultz, A G; Woodcock, S H; Gillanders, B M


    This study quantified the per cent contribution of water chemistry to otolith chemistry using enriched stable isotopes of strontium ((86) Sr) and barium ((137) Ba). Euryhaline barramundi Lates calcarifer, were reared in marine (salinity 40), estuarine (salinity 20) and freshwater (salinity 0) under different temperature treatments. To calculate the contribution of water to Sr and Ba in otoliths, enriched isotopes in the tank water and otoliths were quantified and fitted to isotope mixing models. Fulton's K and RNA:DNA were also measured to explore the influence of fish condition on sources of element uptake. Water was the predominant source of otolith Sr (between 65 and 99%) and Ba (between 64 and 89%) in all treatments, but contributions varied with temperature (for Ba), or interactively with temperature and salinity (for Sr). Fish condition indices were affected independently by the experimental rearing conditions, as RNA:DNA differed significantly among salinity treatments and Fulton's K was significantly different between temperature treatments. Regression analyses did not detect relations between fish condition and per cent contribution values. General linear models indicated that contributions from water chemistry to otolith chemistry were primarily influenced by temperature and secondly by fish condition, with a relatively minor influence of salinity. These results further the understanding of factors that affect otolith element uptake, highlighting the necessity to consider the influence of environment and fish condition when interpreting otolith element data to reconstruct the environmental histories of fish. © 2015 The Fisheries Society of the British Isles.

  5. Exoplanetary Atmospheres-Chemistry, Formation Conditions, and Habitability. (United States)

    Madhusudhan, Nikku; Agúndez, Marcelino; Moses, Julianne I; Hu, Yongyun


    Characterizing the atmospheres of extrasolar planets is the new frontier in exoplanetary science. The last two decades of exoplanet discoveries have revealed that exoplanets are very common and extremely diverse in their orbital and bulk properties. We now enter a new era as we begin to investigate the chemical diversity of exoplanets, their atmospheric and interior processes, and their formation conditions. Recent developments in the field have led to unprecedented advancements in our understanding of atmospheric chemistry of exoplanets and the implications for their formation conditions. We review these developments in the present work. We review in detail the theory of atmospheric chemistry in all classes of exoplanets discovered to date, from highly irradiated gas giants, ice giants, and super-Earths, to directly imaged giant planets at large orbital separations. We then review the observational detections of chemical species in exoplanetary atmospheres of these various types using different methods, including transit spectroscopy, Doppler spectroscopy, and direct imaging. In addition to chemical detections, we discuss the advances in determining chemical abundances in these atmospheres and how such abundances are being used to constrain exoplanetary formation conditions and migration mechanisms. Finally, we review recent theoretical work on the atmospheres of habitable exoplanets, followed by a discussion of future outlook of the field.

  6. Presidential Green Chemistry Challenge: 2007 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2007 award winner, Headwaters Technology Innovation, developed a metal nanocatalyst to synthesize hydrogen peroxide directly from hydrogen and oxygen, eliminating hazardous chemicals.

  7. Presidential Green Chemistry Challenge: 2004 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2004 award winner, Buckman Laboratories International, developed Optimyze technology, which uses an esterase enzyme to remove sticky contaminants from paper products prior to recycling.

  8. Presidential Green Chemistry Challenge: 2005 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2005 award winner, BASF, invented a one-component, urethane acrylate oligomer primer system for automobile refinishing that is UV-curable, has VOCs, and is free of diisocyanates.

  9. Presidential Green Chemistry Challenge: 2010 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2010 award winners, Merck & Co. and Codexis, developed an enzymatic synthesis for sitagliptin (Januvia) that reduces waste, improves yield and safety, and eliminates a metal catalyst.

  10. Presidential Green Chemistry Challenge: 2003 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2003 award winner, DuPont, developed a genetically engineered microorganism jointly with Genencor International to manufacture 1,3-propanediol, a building block for Sorona polyester.

  11. Presidential Green Chemistry Challenge: 2001 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2001 award winner, Novozymes North America, developed BioPreparation, an enzyme technology to separate natural waxes, oils, and contaminants from cotton before it is made into fabric.

  12. Presidential Green Chemistry Challenge: 2012 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2012 award winner, Cytec Industries, developed the MAX HT sodalite scale inhibitor for heat exchangers and pipes in the Bayer process, which converts bauxite into alumina.

  13. Presidential Green Chemistry Challenge: 2002 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2002 award winner, Cargill Dow, developed the NatureWorks process to make biobased, compostable, and recyclable polylactic acid polymers for fibers and plastic packaging.

  14. Presidential Green Chemistry Challenge: 1997 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 1997 award winner, Imation, developed DryView Imaging Systems, which use a special photographic film for medical imaging that replaces hazardous developer chemicals and water with heat.

  15. Presidential Green Chemistry Challenge: 2016 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2016 award winner, Dow Agrosciences LLC, developed Instinct®, a technology that reduces fertilizer nitrate leaching to ground and surface waters and atmospheric nitrous oxide emissions. More corn and reduces CO2.

  16. Presidential Green Chemistry Challenge: 2000 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2000 award winners, Bayer and Bayer AG, Covestro, developed high-performance, water-based, two-component polyurethane (PU) coatings that eliminate most or all VOCs and HAPs in other PU coatings.

  17. Presidential Green Chemistry Challenge: 1996 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 1996 award winner, Dow Chemical Company, developed a process to manufacture polystyrene foam sheet packaging that uses carbon dioxide (CO2) as a blowing agent, eliminating CFC-12 and HCFC-22.

  18. Presidential Green Chemistry Challenge: 2009 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2009 award winner, CEM Corporation, developed a fast, automated analytical process using less toxic reagents and less energy to distinguish protein from the food adulterant, melamine.

  19. Presidential Green Chemistry Challenge: 2006 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2006 award winner, Codexis, directed the evolution of three designer enzymes to produce the key chiral building block for atorvastatin, the active ingredient in the drug Lipitor.

  20. Presidential Green Chemistry Challenge: 2011 Greener Reaction Conditions Award (United States)

    Presidential Green Chemistry Challenge 2011 award winner, Kraton Performance Polymers, developed halogen-free, high-flow NEXAR polymer membranes using less solvent that save energy during reverse osmosis to desalinate water.

  1. Thorium Chemistry in Oxo-Tellurium System under Extreme Conditions. (United States)

    Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V


    Through the use of a high-temperature/high-pressure synthesis method, four thorium oxo-tellurium compounds with different tellurium valence states were isolated. The novel inorganic phases illustrate the intrinsic complexity of the actinide tellurium chemistry under extreme conditions of pressure and temperature. Th2Te3O11 is the first instance of a mixed-valent oxo-tellurium compound, and at the same time, Te exhibits three different coordination environments (TeIVO3, TeIVO4, and TeVIO6) within a single structure. These three types of Te polyhedra are further fused together, resulting in a [Te3O11]8- fragment. Na4Th2(TeVI3O15) and K2Th(TeVIO4)3 are the first alkaline thorium tellurates described in the literature. Both compounds are constructed from ThO9 tricapped trigonal prisms and TeVIO6 octahedra. Na4Th2(TeVI3O15) is a three-dimensional framework based on Th2O15 and Te2O10 dimers, while K2Th(TeVIO4)3 contains tungsten oxide bronze like Te layers linked by ThO9 polyhedra. The structure of β-Th(TeIVO3)(SO4) is built from infinite thorium chains cross-linked by TeIVO32- and SO42- anions. Close structural analysis suggests that β-Th(TeIVO3)(SO4) is highly related to the structure of α-Th(SeO4)2. Additionally, the Raman spectra are recorded and the characteristic peaks are assigned based on a comparison of reported tellurites or tellurates.

  2. Models of PAH chemistry under nebular and planetary conditions (United States)

    Kress, M.; Tielens, A.; Frenklach, F.

    Polycyclic aromatic hydrocarbons PAHs are one of the predominant carriers of carbon in interstellar space after CO PAHs are also common in carbonaceous chondrites which were likely an important source of organic carbon on the early Earth Several outstanding questions in astrobiology address the relationship between the interstellar PAHs and those in meteorites are meteoritic PAHs directly inherited from the interstellar medium Are these compounds modified in the solar nebula and if so where and when Can the abundances and varieties of PAHs in chondrites give more insight into the evolution of the solar nebula and other protoplanetary disks How are PAHs altered upon impact of comets and asteroids and IDPs To this end we are modeling the chemical kinetics of PAH formation growth and destruction within a parameter space of nebular timescales pressures temperatures C O ratios and other factors to begin to address these questions The chemical kinetics of PAHs has been well studied at the higher temperatures present in plug flow reactors and flames 1000 K We hope that our results will motivate more detailed studies of PAH chemistry at the lower temperatures characteristic of astrophysical and planetary environments less than 1000 K This work has been supported by NASA Astrobiology Institute s Virtual Planetary Laboratory and the Institute for Geophysics and Planetary Physics at Lawrence Livermore National Laboratory

  3. Infrared spectroscopy and surface chemistry of aerosols under tropospheric conditions

    Energy Technology Data Exchange (ETDEWEB)

    Weis, D.; Ewing, G.E. [Indiana Univ., Bloomington, IN (United States)


    Liquid aerosols are generated by an atomizer under ambient conditions and sent to a 1m absorption cell for infrared spectroscopic interrogation. In the case of water aerosol, the infrared signature contains information, through Mie analysis, on the optical constants and size distribution of the particulates. For salt-containing liquid aerosol, control of relative humidity can force the phase transition to solid particulate. Aerosols of (NH{sub 4}){sub 2} SO{sub 4} having median diameters in the range 0.05 {mu}m to 0.25 {mu}m reveal details of their size, phase, and morphology through infrared spectroscopy. Finally chemical reaction of solid NaCl aerosol with NO{sub 2}, proceeding at the surface, is spectroscopically monitored as the particulates are transformed to NaNO{sub 3}.

  4. Chemistry?!

    Indian Academy of Sciences (India)

    Chemistry is the science of matter and of its transformations, and life is its highest expression. It provides structures endowed with properties and develops processes for the synthesis of structures. It plays a primordial role in our understanding of material phe- nomena, in our capability to act upon them, to modify them, to.

  5. Simulations of Prebiotic Chemistry under Post-Impact Conditions on Titan

    Directory of Open Access Journals (Sweden)

    Carol Turse


    Full Text Available The problem of how life began can be considered as a matter of basic chemistry. How did the molecules of life arise from non-biological chemistry? Stanley Miller’s famous experiment in 1953, in which he produced amino acids under simulated early Earth conditions, was a huge leap forward in our understanding of this problem. Our research first simulated early Earth conditions based on Miller’s experiment and we then repeated the experiment using Titan post-impact conditions. We simulated conditions that could have existed on Titan after an asteroid strike. Specifically, we simulated conditions after a potential strike in the subpolar regions of Titan that exhibit vast methane-ethane lakes. If the asteroid or comet was of sufficient size, it would also puncture the icy crust and bring up some of the subsurface liquid ammonia-water mixture. Since, O’Brian, Lorenz and Lunine showed that a liquid water-ammonia body could exist between about 102–104 years on Titan after an asteroid impact we modified our experimental conditions to include an ammonia-water mixture in the reaction medium. Here we report on the resulting amino acids found using the Titan post-impact conditions in a classical Miller experimental reaction set-up and how they differ from the simulated early Earth conditions.

  6. Simulations of Prebiotic Chemistry under Post-Impact Conditions on Titan. (United States)

    Turse, Carol; Leitner, Johannes; Firneis, Maria; Schulze-Makuch, Dirk


    The problem of how life began can be considered as a matter of basic chemistry. How did the molecules of life arise from non-biological chemistry? Stanley Miller's famous experiment in 1953, in which he produced amino acids under simulated early Earth conditions, was a huge leap forward in our understanding of this problem. Our research first simulated early Earth conditions based on Miller's experiment and we then repeated the experiment using Titan post-impact conditions. We simulated conditions that could have existed on Titan after an asteroid strike. Specifically, we simulated conditions after a potential strike in the subpolar regions of Titan that exhibit vast methane-ethane lakes. If the asteroid or comet was of sufficient size, it would also puncture the icy crust and bring up some of the subsurface liquid ammonia-water mixture. Since, O'Brian, Lorenz and Lunine showed that a liquid water-ammonia body could exist between about 102-104 years on Titan after an asteroid impact we modified our experimental conditions to include an ammonia-water mixture in the reaction medium. Here we report on the resulting amino acids found using the Titan post-impact conditions in a classical Miller experimental reaction set-up and how they differ from the simulated early Earth conditions.

  7. The effect of poling conditions on the performance of piezoelectric energy harvesters fabricated by wet chemistry

    KAUST Repository

    Fuentes-Fernandez, Erika Maria-Anai


    The effect of poling conditions on the power output of piezoelectric energy harvesters using sol-gel based Pb(Zr0.53,Ti0.47)O3-Pb(Zn1/3,Nb2/3)O3 piezoelectric thin-films has been investigated. A strong correlation was established between the poling efficiency and harvester output. A method based on simple capacitance-voltage measurements is shown to be an effective approach to estimate the power output of harvesters poled under different conditions. The poling process was found to be thermally activated with an activation energy of 0.12 eV, and the optimum poling conditions were identified (200 kV cm-1, 250 °C for 50 min). The voltage output and power density obtained under optimum poling conditions were measured to be 558 V cm-2 and 325 μW cm-2, respectively. © The Royal Society of Chemistry.2015.

  8. Impacts of operating conditions and solution chemistry on osmotic membrane structure and performance

    KAUST Repository

    Wong, Mavis C.Y.


    Herein, we report on changes in the performance of a commercial cellulose triacetate (CTA) membrane, imparted by varied operating conditions and solution chemistries. Changes to feed and draw solution flow rate did not significantly alter the CTA membrane\\'s water permeability, salt permeability, or membrane structural parameter when operated with the membrane skin layer facing the draw solution (PRO-mode). However, water and salt permeability increased with increasing feed or draw solution temperature, while the membrane structural parameter decreased with increasing draw solution, possibly due to changes in polymer intermolecular interactions. High ionic strength draw solutions may de-swell the CTA membrane via charge neutralization, which resulted in lower water permeability, higher salt permeability, and lower structural parameter. This observed trend was further exacerbated by the presence of divalent cations which tends to swell the polymer to a greater extent. Finally, the calculated CTA membrane\\'s structural parameter was lower and less sensitive to external factors when operated in PRO-mode, but highly sensitive to the same factors when the skin layer faced the feed solution (FO-mode), presumably due to swelling/de-swelling of the saturated porous substructure by the draw solution. This is a first attempt aimed at systematically evaluating the changes in performance of the CTA membrane due to operating conditions and solution chemistry, shedding new insight into the possible advantages and disadvantages of this material in certain applications. © 2011 Elsevier B.V.

  9. Dense plasma chemistry of hydrocarbons at conditions relevant to planetary interiors and inertial confinement fusion (United States)

    Kraus, Dominik


    Carbon-hydrogen demixing and subsequent diamond precipitation has been predicted to strongly participate in shaping the internal structure and evolution of icy giant planets like Neptune and Uranus. The very same dense plasma chemistry is also a potential concern for CH plastic ablator materials in inertial confinement fusion (ICF) experiments where similar conditions are present during the first compression stage of the imploding capsule. Here, carbon-hydrogen demixing may enhance the hydrodynamic instabilities occurring in the following compression stages. First experiments applying dynamic compression and ultrafast in situ X-ray diffraction at SLAC's Linac Coherent Light Source demonstrated diamond formation from polystyrene (CH) at 150 GPa and 5000 K. Very recent experiments have now investigated the influence of oxygen, which is highly abundant in icy giant planets on the phase separation process. Compressing PET (C5H4O2) and PMMA(C5H8O2), we find again diamond formation at pressures above 150 GPa and temperatures of several thousand kelvins, showing no strong effect due to the presence of oxygen. Thus, diamond precipitation deep inside icy giant planets seems very likely. Moreover, small-angle X-ray scattering (SAXS) was added to the platform, which determines an upper limit for the diamond particle size, while the width of the diffraction features provides a lower limit. We find that diamond particles of several nanometers in size are formed on a nanosecond timescale. Finally, spectrally resolved X-ray scattering is used to scale amorphous diffraction signals and allows for determining the amount of carbon-hydrogen demixing inside the compressed samples even if no crystalline diamond is formed. This whole set of diagnostics provides unprecedented insights into the nanosecond kinetics of dense plasma chemistry.

  10. Global atmospheric sulfur budget under volcanically quiescent conditions: Aerosol-chemistry-climate model predictions and validation (United States)

    Sheng, Jian-Xiong; Weisenstein, Debra K.; Luo, Bei-Ping; Rozanov, Eugene; Stenke, Andrea; Anet, Julien; Bingemer, Heinz; Peter, Thomas


    The global atmospheric sulfur budget and its emission dependence have been investigated using the coupled aerosol-chemistry-climate model SOCOL-AER. The aerosol module comprises gaseous and aqueous sulfur chemistry and comprehensive microphysics. The particle distribution is resolved by 40 size bins spanning radii from 0.39 nm to 3.2 μm, including size-dependent particle composition. Aerosol radiative properties required by the climate model are calculated online from the aerosol module. The model successfully reproduces main features of stratospheric aerosols under nonvolcanic conditions, including aerosol extinctions compared to Stratospheric Aerosol and Gas Experiment II (SAGE II) and Halogen Occultation Experiment, and size distributions compared to in situ measurements. The calculated stratospheric aerosol burden is 109 Gg of sulfur, matching the SAGE II-based estimate (112 Gg). In terms of fluxes through the tropopause, the stratospheric aerosol layer is due to about 43% primary tropospheric aerosol, 28% SO2, 23% carbonyl sulfide (OCS), 4% H2S, and 2% dimethyl sulfide (DMS). Turning off emissions of the short-lived species SO2, H2S, and DMS shows that OCS alone still establishes about 56% of the original stratospheric aerosol burden. Further sensitivity simulations reveal that anticipated increases in anthropogenic SO2 emissions in China and India have a larger influence on stratospheric aerosols than the same increase in Western Europe or the U.S., due to deep convection in the western Pacific region. However, even a doubling of Chinese and Indian emissions is predicted to increase the stratospheric background aerosol burden only by 9%. In contrast, small to moderate volcanic eruptions, such as that of Nabro in 2011, may easily double the stratospheric aerosol loading.

  11. Coupled effects of hydrodynamic and solution chemistry conditions on long-term nanoparticle transport and deposition in saturated porous media (United States)

    This study aims to systematically explore the coupled effects of hydrodynamic and solution chemistry conditions on the long-term transport and deposition kinetics of nanoparticles (NPs) in saturated porous media. Column transport experiments were carried out at various solution ionic strengths (IS),...


    Energy Technology Data Exchange (ETDEWEB)

    Madhusudhan, Nikku [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Mousis, Olivier [Institut UTINAM, CNRS-UMR 6213, Observatoire de Besancon, BP 1615, F-25010 Besancon Cedex (France); Johnson, Torrence V. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Lunine, Jonathan I., E-mail: [Department of Astronomy, Cornell University, Ithaca, NY 14853 (United States)


    The recent inference of a carbon-rich atmosphere, with C/O {>=} 1, in the hot Jupiter WASP-12b motivates the exotic new class of carbon-rich planets (CRPs). We report a detailed study of the atmospheric chemistry and spectroscopic signatures of carbon-rich giant (CRG) planets, the possibility of thermal inversions in their atmospheres, the compositions of icy planetesimals required for their formation via core accretion, and the apportionment of ices, rock, and volatiles in their envelopes. Our results show that CRG atmospheres probe a unique region in composition space, especially at high temperature (T). For atmospheres with C/O {>=} 1, and T {approx}> 1400 K in the observable atmosphere, most of the oxygen is bound up in CO, while H{sub 2}O is depleted and CH{sub 4} is enhanced by up to two or three orders of magnitude each, compared to equilibrium compositions with solar abundances (C/O = 0.54). These differences in the spectroscopically dominant species for the different C/O ratios cause equally distinct observable signatures in the spectra. As such, highly irradiated transiting giant exoplanets form ideal candidates to estimate atmospheric C/O ratios and to search for CRPs. We also find that the C/O ratio strongly affects the abundances of TiO and VO, which have been suggested to cause thermal inversions in highly irradiated hot Jupiter atmospheres. A C/O = 1 yields TiO and VO abundances of {approx}100 times lower than those obtained with equilibrium chemistry assuming solar abundances, at P {approx} 1 bar. Such a depletion is adequate to rule out thermal inversions due to TiO/VO even in the most highly irradiated hot Jupiters, such as WASP-12b. We estimate the compositions of the protoplanetary disk, the planetesimals, and the envelope of WASP-12b, and the mass of ices dissolved in the envelope, based on the observed atmospheric abundances. Adopting stellar abundances (C/O = 0.44) for the primordial disk composition and low-temperature formation conditions

  13. Effects of fire frequency on litter decomposition as mediated by changes to litter chemistry and soil environmental conditions.

    Directory of Open Access Journals (Sweden)

    Cari D Ficken

    Full Text Available Litter quality and soil environmental conditions are well-studied drivers influencing decomposition rates, but the role played by disturbance legacy, such as fire history, in mediating these drivers is not well understood. Fire history may impact decomposition directly, through changes in soil conditions that impact microbial function, or indirectly, through shifts in plant community composition and litter chemistry. Here, we compared early-stage decomposition rates across longleaf pine forest blocks managed with varying fire frequencies (annual burns, triennial burns, fire-suppression. Using a reciprocal transplant design, we examined how litter chemistry and soil characteristics independently and jointly influenced litter decomposition. We found that both litter chemistry and soil environmental conditions influenced decomposition rates, but only the former was affected by historical fire frequency. Litter from annually burned sites had higher nitrogen content than litter from triennially burned and fire suppression sites, but this was correlated with only a modest increase in decomposition rates. Soil environmental conditions had a larger impact on decomposition than litter chemistry. Across the landscape, decomposition differed more along soil moisture gradients than across fire management regimes. These findings suggest that fire frequency has a limited effect on litter decomposition in this ecosystem, and encourage extending current decomposition frameworks into disturbed systems. However, litter from different species lost different masses due to fire, suggesting that fire may impact decomposition through the preferential combustion of some litter types. Overall, our findings also emphasize the important role of spatial variability in soil environmental conditions, which may be tied to fire frequency across large spatial scales, in driving decomposition rates in this system.

  14. Investigation on the Self-discharge of the LiFePO4/C nanophosphate battery chemistry at different conditions

    DEFF Research Database (Denmark)

    Swierczynski, Maciej Jozef; Stroe, Daniel Ioan; Stan, Ana-Irina


    to detailed empirical investigations in order to find out how self-discharge of this chemistry depends on different storing conditions. Precise knowledge about the level of the self-discharge of lithium ion battery cells is very important for improving the performance of the battery management system since......Lithium ion batteries with iron phosphate cathodes are gradually improving in their performance and gaining importance, and are more and more considered for new applications. Different aspects of this chemistry were studied in numerous publications; however, very little research was devoted...... it allows also for more precise determination of the actual battery SOC after prolonged storage. In this paper the self-discharge of the nanophosphate LiFePO4/C is studied at different temperature, SOC conditions and at different SOH levels of the battery. Moreover, cell to cell differences in self...

  15. Design of Organic Transformations at Ambient Conditions: Our Sincere Efforts to the Cause of Green Chemistry Practice. (United States)

    Brahmachari, Goutam


    This account summarizes our recent efforts in designing a good number of important organic transformations leading to the synthesis of biologically relevant compounds at room temperature and pressure. Currently, the concept of green chemistry is globally acclaimed and has already advanced quite significantly to emerge as a distinct branch of chemical sciences. Among the principles of green chemistry, one principle is dedicated to the "design of energy efficiency" - that is, to develop synthetic strategies that require less or the minimum amount of energy to carry out a specific reaction with optimum productivity - and the most effective way to save energy is to develop strategies/protocols that are capable enough to carry out the transformations at ambient temperature! As part of on-going developments in green synthetic strategies, the design of reactions under ambient conditions coupled with other green aspects is, thus, an area of current interest. The concept of developing reaction strategies at room temperature and pressure is now an emerging field of research in organic chemistry and is progressing steadily. This account is aimed to offer an overview of our recent research works directly related to this particular field of interest, and highlights the green chemistry practice leading to carbon-carbon and carbon-heteroatom bond-forming reactions of topical significance. Green synthetic routes to a variety of biologically relevant organic molecules (heterocyclic, heteroaromatic, alicyclic, acyclic, etc.) at room temperature and pressure are discussed. © 2015 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Secondary chemistry of steam generator. Influence of hydrazine on corrosion potential. Optimisation of shutdown conditions and return to nominal conditions

    Energy Technology Data Exchange (ETDEWEB)

    Foucault, M.; Long, A.; Combrade, P. [Framatome-ANP, Paris (France); Rodet, I.; Bouchacourt, M. [EdF-SEPTEN, Lyon (France)


    The oxygen and hydrazine contents of the secondary environment have a great importance in the build-up and the modification of the oxide layer formed on carbon steel or LAS surfaces of the secondary side of the SG. These modifications may have an important influence on general release, deposits in tube support plates. A program has been carried out to evaluate the influence of hydrazine on the structure and the composition of the oxide layer formed on carbon steel in different environmental conditions: nominal conditions, hot shutdown transient with high or low hydrazine concentration and come back to nominal conditions after a hot shut down. In order to reach the aim of this program, a special device has been built on with the following main characteristics: temperature up to 320 C, secondary environment with control of hydrazine and oxygen content, water-flow velocity up to 1 m/s, measurement of electrochemical potential on Carbon Steel samples. (authors)

  17. Conditioning sulfidic mine waste for growth of Agrostis capillaris--impact on solution chemistry. (United States)

    Sjöberg, Viktor; Karlsson, Stefan; Grandin, Anna; Allard, Bert


    Contamination of the environment due to mining and mineral processing is an urgent problem worldwide. It is often desirable to establish a grass cover on old mine waste since it significantly decreases the production of leachates. To obtain sustainable growth, it is often necessary to improve several properties of the waste such as water-holding capacity, nutrient status, and toxicity. This can be done by addition of organic materials such as wood residues, e.g., compost. In this study, we focus on the solution chemistry of the leachates when a substrate containing historic sulfidic mine waste mixed with 30 % (volume) bark compost is overgrown by Agrostis capillaris. The pot experiments also included other growth-promoting additives (alkaline material, mycorrhiza, and metabolizable carbon) to examine whether a more sustainable growth could be obtained. Significant changes in the plant growth and in the leachates composition were observed during 8 weeks of growth. It was concluded that in this time span, the growth of A. capillaris did not affect the composition of the leachates from the pots. Instead, the composition of the leachates was determined by interactions between the bark compost and the mine waste. Best growth of A. capillaris was obtained when alkaline material and mycorrhiza or metabolizable carbon was added to the substrate.

  18. Surface chemistry of rare-earth oxide surfaces at ambient conditions: reactions with water and hydrocarbons (United States)

    Külah, Elçin; Marot, Laurent; Steiner, Roland; Romanyuk, Andriy; Jung, Thomas A.; Wäckerlin, Aneliia; Meyer, Ernst


    Rare-earth (RE) oxide surfaces are of significant importance for catalysis and were recently reported to possess intrinsic hydrophobicity. The surface chemistry of these oxides in the low temperature regime, however, remains to a large extent unexplored. The reactions occurring at RE surfaces at room temperature (RT) in real air environment, in particular, in presence of polycyclic aromatic hydrocarbons (PAHs), were not addressed until now. Discovering these reactions would shed light onto intermediate steps occurring in automotive exhaust catalysts before reaching the final high operational temperature and full conversion of organics. Here we first address physical properties of the RE oxide, nitride and fluoride surfaces modified by exposure to ambient air and then we report a room temperature reaction between PAH and RE oxide surfaces, exemplified by tetracene (C18H12) on a Gd2O3. Our study evidences a novel effect - oxidation of higher hydrocarbons at significantly lower temperatures (~300 K) than previously reported (>500 K). The evolution of the surface chemical composition of RE compounds in ambient air is investigated and correlated with the surface wetting. Our surprising results reveal the complex behavior of RE surfaces and motivate follow-up studies of reactions between PAH and catalytic surfaces at the single molecule level.

  19. Corrosion Behavior and Oxide Film Formation of T91 Steel under Different Water Chemistry Operation Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, D. Q.; Shi, C.; Li, J.; Gao, L. X. [Shanghai University of Electric Power, Shanghai (China); Lee, K. Y. [Dalian University of Technology, Dalian (China)


    The corrosion behavior of a ferritic/martensitic steel T91 exposed to an aqueous solution containing chloride and sulfate ions is investigated depending on the stimulated all-volatile treatment (AVT) and under oxygenated treatment (OT) conditions. The corrosion of T91 steel under OT condition is severe, while the corrosion under AVT condition is not. The co-existence of chloride and sulfate ions has antagonistic effect on the corrosion of T91 steel in both AVT and OT conditions. Unlike to corrosion resistance in the aqueous solution, OT pretreatment provides T91 steel lower oxidation-resistance than VAT pretreatment. From scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS) and X-ray diffraction (XRD) analysis, the lower corrosion resistance in the aqueous solution by VAT conditions possibly is due to the formation of pits. In addition, the lower oxidation resistance of T91 steel pretreated by OT conditions is explained as follows: the cracks formed during the immersion under OT conditions accelerated peeling-off rate of the oxide film.

  20. How stress and temperature conditions affect rock-fluid chemistry and mechanical deformation

    Directory of Open Access Journals (Sweden)

    Anders eNermoen


    Full Text Available We report the results from a series of chalk flow-through-compaction experiments performed at three effective stresses (0.5 MPa, 3.5 MPa and 12.3 MPa and two temperatures (92℃ and and 130℃. The results show that both stress and temperature are important to both chemical alteration and mechanical deformation. The experiments were conducted on cores drilled from the same block of outcrop chalks from the Obourg quarry within the Saint Vast formation (Mons, Belgium. The pore pressure was kept at 0.7 MPa for all experiments with a continuous flow of 0.219 M MgCl2 brine at a constant flow rate; 1 original pore volume (PV per day. The experiments have been performed in tri-axial cells with independent control of the external stress (hydraulic pressure in the confining oil, pore pressure, temperature, and the injected flow rate. Each experiment consists of two phases; a loading phase where stress-strain dependencies are investigated (approx. 2 days, and a creep phase that lasts for more than 150-160 days. During creep, the axial deformation was logged, and the effluent samples were collected for ion chromatography analyses. Any difference between the injected and produced water chemistry gives insight into the rock-fluid interactions that occur during flow through of the core. The observed effluent concentration shows a reduction in Mg2+, while the Ca2+ concentration is increased. This, together with SEM-EDS analysis, indicates that magnesium-bearing mineral phases are precipitated leading to dissolution of calcite, an observation . This is in-line with other flow-through experiments reported earlier. The observed dissolution and precipitation are sensitive to the effective stress and test temperature. Typically. H, higher stress and temperature lead to increased concentration differences of Mg2+ and Ca2+ concentration changes.. The observed strain can be partitioned additively into a mechanical and chemical driven component.

  1. Equilibrium and kinetic models for colloid release under transient solution chemistry conditions (United States)

    We present continuum models to describe colloid release in the subsurface during transient physicochemical conditions. Our modeling approach relates the amount of colloid release to changes in the fraction of the solid surface area that contributes to retention. Equilibrium, kinetic, equilibrium and...

  2. Structural superlubricity of platinum on graphite under ambient conditions: The effects of chemistry and geometry (United States)

    Özoǧul, Alper; Ipek, Semran; Durgun, Engin; Baykara, Mehmet Z.


    An investigation of the frictional behavior of platinum nanoparticles laterally manipulated on graphite has been conducted to answer the question of whether the recent observation of structural superlubricity under ambient conditions [E. Cihan, S. İpek, E. Durgun, and M. Z. Baykara, Nat. Commun. 7, 12055 (2016)] is exclusively limited to the gold-graphite interface. Platinum nanoparticles have been prepared by e-beam evaporation of a thin film of platinum on graphite, followed by post-deposition annealing. Morphological and structural characterization of the nanoparticles has been performed via scanning electron microscopy and transmission electron microscopy, revealing a crystalline structure with no evidence of oxidation under ambient conditions. Lateral manipulation experiments have been performed via atomic force microscopy under ambient conditions, whereby results indicate the occurrence of structural superlubricity at mesoscopic interfaces of 4000-75 000 nm2, with a noticeably higher magnitude of friction forces when compared with gold nanoparticles of similar contact areas situated on graphite. Ab initio simulations of sliding involving platinum and gold slabs on graphite confirm the experimental observations, whereby the higher magnitude of friction forces is attributed to stronger energy barriers encountered by platinum atoms sliding on graphite, when compared with gold. On the other hand, as predicted by theory, the scaling power between friction force and contact size is found to be independent of the chemical identity of the sliding atoms, but to be determined by the geometric qualities of the interface, as characterized by an average "sharpness score" assigned to the nanoparticles.

  3. Equilibrium and kinetic models for colloid release under transient solution chemistry conditions. (United States)

    Bradford, Scott A; Torkzaban, Saeed; Leij, Feike; Simunek, Jiri


    We present continuum models to describe colloid release in the subsurface during transient physicochemical conditions. Our modeling approach relates the amount of colloid release to changes in the fraction of the solid surface area that contributes to retention. Equilibrium, kinetic, equilibrium and kinetic, and two-site kinetic models were developed to describe various rates of colloid release. These models were subsequently applied to experimental colloid release datasets to investigate the influence of variations in ionic strength (IS), pH, cation exchange, colloid size, and water velocity on release. Various combinations of equilibrium and/or kinetic release models were needed to describe the experimental data depending on the transient conditions and colloid type. Release of Escherichia coli D21g was promoted by a decrease in solution IS and an increase in pH, similar to expected trends for a reduction in the secondary minimum and nanoscale chemical heterogeneity. The retention and release of 20nm carboxyl modified latex nanoparticles (NPs) were demonstrated to be more sensitive to the presence of Ca(2+) than D21g. Specifically, retention of NPs was greater than D21g in the presence of 2mM CaCl2 solution, and release of NPs only occurred after exchange of Ca(2+) by Na(+) and then a reduction in the solution IS. These findings highlight the limitations of conventional interaction energy calculations to describe colloid retention and release, and point to the need to consider other interactions (e.g., Born, steric, and/or hydration forces) and/or nanoscale heterogeneity. Temporal changes in the water velocity did not have a large influence on the release of D21g for the examined conditions. This insensitivity was likely due to factors that reduce the applied hydrodynamic torque and/or increase the resisting adhesive torque; e.g., macroscopic roughness and grain-grain contacts. Our analysis and models improve our understanding and ability to describe the amounts

  4. Root chemistry and soil fauna, but not soil abiotic conditions explain the effects of plant diversity on root decomposition. (United States)

    Chen, Hongmei; Oram, Natalie J; Barry, Kathryn E; Mommer, Liesje; van Ruijven, Jasper; de Kroon, Hans; Ebeling, Anne; Eisenhauer, Nico; Fischer, Christine; Gleixner, Gerd; Gessler, Arthur; González Macé, Odette; Hacker, Nina; Hildebrandt, Anke; Lange, Markus; Scherer-Lorenzen, Michael; Scheu, Stefan; Oelmann, Yvonne; Wagg, Cameron; Wilcke, Wolfgang; Wirth, Christian; Weigelt, Alexandra


    Plant diversity influences many ecosystem functions including root decomposition. However, due to the presence of multiple pathways via which plant diversity may affect root decomposition, our mechanistic understanding of their relationships is limited. In a grassland biodiversity experiment, we simultaneously assessed the effects of three pathways-root litter quality, soil biota, and soil abiotic conditions-on the relationships between plant diversity (in terms of species richness and the presence/absence of grasses and legumes) and root decomposition using structural equation modeling. Our final structural equation model explained 70% of the variation in root mass loss. However, different measures of plant diversity included in our model operated via different pathways to alter root mass loss. Plant species richness had a negative effect on root mass loss. This was partially due to increased Oribatida abundance, but was weakened by enhanced root potassium (K) concentration in more diverse mixtures. Equally, grass presence negatively affected root mass loss. This effect of grasses was mostly mediated via increased root lignin concentration and supported via increased Oribatida abundance and decreased root K concentration. In contrast, legume presence showed a net positive effect on root mass loss via decreased root lignin concentration and increased root magnesium concentration, both of which led to enhanced root mass loss. Overall, the different measures of plant diversity had contrasting effects on root decomposition. Furthermore, we found that root chemistry and soil biota but not root morphology or soil abiotic conditions mediated these effects of plant diversity on root decomposition.

  5. The role of water chemistry for environmentally assisted cracking in low-alloy reactor pressure vessel and piping steels under boiling reactor conditions

    Energy Technology Data Exchange (ETDEWEB)

    Seifert, H.-P.; Ritter, S


    The environmentally assisted initiation and propagation of cracks in structural materials is one of the most important degradation and ageing mechanisms in light water reactors (LWR) and may seriously affect plant availability and economics. In the first part of this paper a short general introduction on environmentally assisted cracking (EAC) and its significance for LWR is given. Then the important role of water chemistry control in reducing the EAC risk in LWR is illustrated by current research results about the effect of chloride transients and hydrogen water chemistry on the EAC crack growth behaviour of low-alloy reactor pressure vessel and piping steels under boiling water reactor conditions. (author)

  6. Evaluation of innovative stationary phase ligand chemistries and analytical conditions for the analysis of basic drugs by supercritical fluid chromatography. (United States)

    Desfontaine, Vincent; Veuthey, Jean-Luc; Guillarme, Davy


    Similar to reversed phase liquid chromatography, basic compounds can be highly challenging to analyze by supercritical fluid chromatography (SFC), as they tend to exhibit poor peak shape, especially those with high pKa values. In this study, three new stationary phase ligand chemistries available in sub -2 μm particle sizes, namely 2-picolylamine (2-PIC), 1-aminoanthracene (1-AA) and diethylamine (DEA), were tested in SFC conditions for the analysis of basic drugs. Due to the basic properties of these ligands, it is expected that the repulsive forces may improve peak shape of basic substances, similarly to the widely used 2-ethypyridine (2-EP) phase. However, among the 38 tested basic drugs, less of 10% displayed Gaussian peaks (asymmetry between 0.8 and 1.4) using pure CO2/methanol on these phases. The addition of 10mM ammonium formate as mobile phase additive, drastically improved peak shapes and increased this proportion to 67% on 2-PIC. Introducing the additive in the injection solvent rather than in the organic modifier, gave acceptable results for 2-PIC only, with 31% of Gaussian peaks with an average asymmetry of 1.89 for the 38 selected basic drugs. These columns were also compared to hybrid silica (BEH), DIOL and 2-EP stationary phases, commonly employed in SFC. These phases commonly exhibit alternative retention and selectivity. In the end, the two most interesting ligands used as complementary columns were 2-PIC and BEH, as they provided suitable peak shapes for the basic drugs and almost orthogonal selectivities. Copyright © 2016 Elsevier B.V. All rights reserved.


    Energy Technology Data Exchange (ETDEWEB)

    Smith, C.; Brigmon, R.


    elevated Legionella concentrations when the dew point temperature was high--a summertime occurrence. However, analysis of the three years of Legionella monitoring data of the 14 different SRS Cooling Towers demonstrated that elevated concentrations are observed at all temperatures and seasons. The objective of this study is to evaluate the ecology of L. pneumophila including serogroups and population densities, chemical, and atmospheric data, on cooling towers at SRS to determine whether relationships exist among water chemistry, and atmospheric conditions. The goal is to more fully understand the conditions which inhibit or encourage L. pneumophila growth and supply this data and associated recommendations to SRS Cooling Tower personnel for improved management of operation. Hopefully this information could then be used to help control L. pneumophila growth more effectively in SRS cooling tower water.

  8. Transport of E. coli D21g with runoff water under different solution chemistry conditions and surface slopes (United States)

    Tracer and indicator microbe runoff experiments were conducted to investigate the influence of solution chemistry on the transport, retention, and release of Escherichia coli D21g. Experiments were conducted in a chamber (2.25 m long, 0.15 m wide, and 0.16 m high) packed with ultrapure quartz sand (...

  9. Variability in stream chemistry in relation to urban development and biological condition in seven metropolitan areas of the United States, 1999-2004 (United States)

    Beaulieu, Karen M.; Bell, Amanda H.; Coles, James F.


    Beginning in 1999, the U.S. Geological Survey National Water Quality Assessment Program investigated the effects of urban development on stream ecosystems in nine metropolitan study areas across the United States. In seven of these study areas, stream-chemistry samples were collected every other month for 1 year at 6 to 10 sites. Within a study area, the sites collectively represented a gradient of urban development from minimally to highly developed watersheds, based on the percentage of urban land cover; depending on study area, the land cover before urban development was either forested or agricultural. The stream-chemistry factors measured in the samples were total nitrogen, total phosphorus, chloride, and pesticide toxicity. These data were used to characterize the stream-chemistry factors in four ways (hereafter referred to as characterizations)—seasonal high-flow value, seasonal low-flow value, the median value (representing a single integrated value of the factor over the year), and the standard deviation of values (representing the variation of the factor over the year). Aquatic macroinvertebrate communities were sampled at each site to infer the biological condition of the stream based on the relative sensitivity of the community to environmental stressors. A Spearman correlation analysis was used to evaluate relations between (1) urban development and each characterization of the stream-chemistry factors and (2) the biological condition of a stream and the different characterizations of chloride and pesticide toxicity. Overall, the study areas where the land cover before urban development was primarily forested had a greater number of moderate and strong relations compared with the study areas where the land cover before urban development was primarily agriculture; this was true when urban development was correlated with the stream-chemistry factors (except chloride) and when chloride and pesticide toxicity was correlated with the biological condition

  10. Geology, mineralization, mineral chemistry, and ore-fluid conditions of Irankuh Pb-Zn mining district, south of Isfahan

    Directory of Open Access Journals (Sweden)

    Mohammad Hassan Karimpour


    Full Text Available Introduction The Irankuh mining district area located at the southern part of the Malayer-Isfahan metallogenic belt, south of Isfahan, consists of several Zn-Pb deposits and occurrences such as Tappehsorkh, Rowmarmar 5, Kolahdarvazeh, Blind ore, and Gushfil deposits as well as Rowmarmar 1-4 and Gushfil 1 prospects. Based on geology, alteration, form and texture of mineralization, and paragenesis assemblages, Pb-Zn mineralization is Mississippi-type deposit (Rastad, 1981; Ghazban et al., 1994; Ghasemi, 1995; Reichert, 2007; Timoori-Asl (2010; Ayati et al., 2013; Hosseini-Dinani et al., 2015. Geology of the area consists of Jurassic siltstone and shale and different types of Cretaceous dolostone and limestone. The aim of this research is new geological studies such as revision of old geologic map, study of different types of textures and mineral assemblages within carbonate and clastic host rocks, and chemistry of galena, sphalerite, and dolomite. Finally, we combined these results with isotopic and fluid inclusion data and discussed on ore-fluid conditions. Materials and Methods In order to achieve the aims of this work, at first field surveying and sampling were done. Then, 200 thin and 70 polished thin sections were prepared. Some of the samples were selected for microprobe analysis and galena and sphalerite minerals were analyzed by using JEOL- JAX-8230 analyzer at Colorado University, USA. The chemistry of dolomite and fluid inclusion data are used after Boveiri Konari and Rastad (2016 and stable isotope is used after Ghazban et al. (1994. Discussion The Irankuh mineralization is hosted by carbonate rocks (dolostone and limestone and minor clastic rocks as epigenetic. Mineralization has occurred as breccia, veinlet, open space filling, spoted, dessiminated, and replacement (carbonate hosted rock. The mineral assemblages are Fe-rich sphalerite, galena, minor pyrite, Fe- and Mn-rich dolomite, bituminous, ankrite, calcite ± quartz ± barite

  11. Evaluating physical habitat and water chemistry data from statewide stream monitoring programs to establish least-impacted conditions in Washington State (United States)

    Wilmoth, Siri K.; Irvine, Kathryn M.; Larson, Chad


    Various GIS-generated land-use predictor variables, physical habitat metrics, and water chemistry variables from 75 reference streams and 351 randomly sampled sites throughout Washington State were evaluated for effectiveness at discriminating reference from random sites within level III ecoregions. A combination of multivariate clustering and ordination techniques were used. We describe average observed conditions for a subset of predictor variables as well as proposing statistical criteria for establishing reference conditions for stream habitat in Washington. Using these criteria, we determined whether any of the random sites met expectations for reference condition and whether any of the established reference sites failed to meet expectations for reference condition. Establishing these criteria will set a benchmark from which future data will be compared.

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

    Birch, Gavin; O'Hea, Laura


    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 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. In situ determination of crystal structure and chemistry of minerals at Earth's deep lower mantle conditions

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Hongsheng; Zhang, Li


    Recent advances in experimental techniques and data processing allow in situ determination of mineral crystal structure and chemistry up to Mbar pressures in a laser-heated diamond anvil cell (DAC), providing the fundamental information of the mineralogical constitution of our Earth's interior. This work highlights several recent breakthroughs in the field of high-pressure mineral crystallography, including the stability of bridgmanite, the single-crystal structure studies of post-perovskite and H-phase as well as the identification of hydrous minerals and iron oxides in the deep lower mantle. The future development of high-pressure crystallography is also discussed.

  14. Multivariate statistical analysis of water chemistry conditions in three wastewater stabilization ponds with algae blooms and pH fluctuations. (United States)

    Wallace, Jack; Champagne, Pascale; Hall, Geof


    The wastewater stabilization ponds (WSPs) at a wastewater treatment facility in eastern Ontario, Canada, have experienced excessive algae growth and high pH levels in the summer months. A full range of parameters were sampled from the system and the chemical dynamics in the three WSPs were assessed through multivariate statistical analysis. The study presents a novel approach for exploratory analysis of a comprehensive water chemistry dataset, incorporating principal components analysis (PCA) and principal components (PC) and partial least squares (PLS) regressions. The analyses showed strong correlations between chl-a and sunlight, temperature, organic matter, and nutrients, and weak and negative correlations between chl-a and pH and chl-a and DO. PCA reduced the data from 19 to 8 variables, with a good fit to the original data matrix (similarity measure of 0.73). Multivariate regressions to model system pH in terms of these key parameters were performed on the reduced variable set and the PCs generated, for which strong fits (R(2) > 0.79 with all data) were observed. The methodologies presented in this study are applicable to a wide range of natural and engineered systems where a large number of water chemistry parameters are monitored resulting in the generation of large data sets. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Bad chemistry


    Petsko, Gregory A


    General chemistry courses haven't changed significantly in forty years. Because most basic chemistry students are premedical students, medical schools have enormous influence and could help us start all over again to create undergraduate chemistry education that works.

  16. The effect of injection molding conditions on the near-surface rubber morphology, surface chemistry, and adhesion performance of semi-crystalline and amorphous polymers (United States)

    Weakley-Bollin, Shannon Christine

    This thesis investigated the effect of injection molding processing variables, resin formulation and mold material on the resulting morphology and properties of semi-crystalline and amorphous polymers in parts molded on large presses with fully developed flow. Five different polymer resins and two different coating types were investigated, and the near-surface morphology was found to be dependent on material formulation, processing parameters, and geometry. For painted TPO, changes in the near-surface rubber morphology and surface chemistry based on material and processing conditions had no significant effect on the adhesion performance. For metal plated ABS, the adhesion performance was found to be heavily dependent on the rubber surface morphology, which varied with material formulation and processing conditions. One of the most significant findings was that forged aluminum injection molding tooling had little effect on the surface morphology or adhesion performance of either polypropylene or the two TPO formulations examined, despite the five-fold increase in thermal conductivity over traditional tool steel. Surface chemistry, however, was found to be affected by cooling rate, depending on material formulation. A UV stabilizer additive was found concentrated at 2.5 atomic percent on the surface of the aluminum molded part, but not the steel molded part, demonstrating a possible opportunity for using additives and aluminum tooling to create "designer surfaces". Processing conditions were found to have a competing role in metal plated ABS, where conditions that lowered surface stress and improved adhesion by a factor of 15 also increased the amount of bulk molded-in stress by nearly 7%. Both factors were found to play an important role in adhesion performance due to the effect of surface stress on the quality of the resulting etch structure. The bulk stress must be minimized to due to the large mechanical and thermal mismatch between the polymer and metal layers

  17. Transport and retention of biochar nanoparticles in a paddy soil under environmentally-relevant solution chemistry conditions. (United States)

    Chen, Ming; Wang, Dengjun; Yang, Fan; Xu, Xiaoyun; Xu, Nan; Cao, Xinde


    Land application of biochar has been increasingly recommended as a powerful strategy for carbon sequestration and soil remediation. However, the biochar particles, especially those in the nanoscale range, may migrate or carry the inherent contaminants along the soil profile, posing a potential risk to the groundwater. This study investigated the transport and retention of wood chip-derived biochar nanoparticles (NPs) in water-saturated columns packed with a paddy soil. The environmentally-relevant soil solution chemistry including ionic strength (0.10-50 mM), electrolyte type (NaCl and CaCl2), and natural organic matter (0-10 mg L(-1) humic acid) were tested to elucidate their effects on the biochar NPs transport. Higher mobility of biochar NPs was observed in the soil at lower ionic strengths, with CaCl2 electrolyte being more effective than NaCl in decreasing biochar NPs transport. The retained biochar NPs in NaCl was re-entrained (∼57.7%) upon lowering transient pore-water ionic strength, indicating that biochar NPs were reversibly retained in the secondary minimum. In contrast, negligible re-entrainment of biochar NPs occurred in CaCl2 due to the primary minimum and/or particle aggregation. Humic acid increased the mobility of biochar NPs, likely due to enhanced electrosteric repulsive interactions. The transport behaviors of biochar NPs can be well interpreted by a two-site kinetic retention model that assumes reversible retention for one site, and irreversible retention for the other site. Our findings indicated that the transport of wood chip biochar NPs is significant in the paddy soil, highlighting the importance of understanding the mobility of biochar NPs in natural soils for accurately assessing their environmental impacts. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Sulphate chemistry under pressurized oxidizing, reducing and fluctuating conditions; Sulfatkemi under trycksatta oxiderande, reducerande och fluktuerande foerhaallanden

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M.; Yrjas, P.; Backman, P. [Aabo Akademi, Turku (Finland). Combustion Chemistry Research Group


    In the literature it has been reported that sulfur capture with limestone (CaCO{sub 3}) under atmospheric fluidized bed combustion conditions reaches a maximum at about 850 deg C. Previously, the maximum has been attributed to the sintering of sorbent particles which decreases the reactive surface area. Lately, also another explanation has been reported. In this case the sulfur capture decrease at higher temperatures was concluded to be due to fluctuating oxidizing/reducing conditions in the atmospheric combustor. In this work the influence of alternating oxidizing/reducing conditions on SO{sub 2} capture at atmospheric and elevated pressure (15 bar) has been studied. In the pressurized case, the CO{sub 2} partial pressure was kept high enough to prevent CaCO{sub 3} from calcining and therefore the CaSO{sub 4} would not form CaO but CaCO{sub 3} under reducing conditions. The experiments were done with a pressurized TGA by periodically changing the gas environment between oxidizing (O{sub 2}. SO{sub 2}, CO{sub 2} and N{sub 2}) and slightly reducing (CO, SO{sub 2}, CO{sub 2} and N{sub 2}) gas mixtures at different temperatures. The results from the experiments showed that under normal pressure and slightly reducing conditions CaO formation from CaSO{sub 4} increased with temperature as expected. However, no significant amounts of CaCO{sub 3} were formed from CaSO{sub 4} at elevated pressure. It was also concluded that since the formation of CaO from CaSO{sub 4} was relatively slow it could not explain the sharp sulfur capture maximum at about 850 deg C. Therefore, it was assumed that the strongly reducing zones, where CaS thermodynamically is the stable compound, play a more important role concerning the sulfur capture in fluidized bed combustors. (orig.)

  19. Indicators: Soil Chemistry (United States)

    The chemical makeup of the soil can provide information on wetland condition, wetland water quality and services being provided by the wetland ecosystem. Analyzing soil chemistry reveals if the soil is contaminated with a toxic chemical or heavy metal.

  20. Paleoweathering condition in middle Miocene to early Pliocene period in Japanese Islands: From paleopedology and chemistry of muddy sediments (United States)

    Hatano, N.; Yoshida, K.; Sasao, E.; Adachi, Y.


    The middle Miocene to Pliocene is recognized as a period that has changed the East Asian monsoon. In Japanese Islands, the middle Miocene to Pliocene fluvial formations include aluminous clayey horizons with well-preserved pedogenic features and are known as pottery material. These formations, therefore, can be a useful to reconstruct of weathering conditions. Description of paleosols and geochemical research were carried out in the middle Miocene (10-11 Ma) and the early Pliocene (3-4 Ma) sediments in central Japan in order to illuminate the weathering condition in far east Asian margin. Each of the formations was mainly deposited in lacustrine environment. Paleosols can be divided into 11 pedotypes. In the middle Miocene, the main pedotypes are mature paleosols characterized by thick soil horizons with Bt horizons and rich illuviated clay. In the early Pliocene, the pedotypes are divided into weakly developed paleosols characterized by thinner soil horizons, prominent relict beds and rarely illuviated clay, and hydromorphic paleosols characterized by glay clay with mottled reddish color and siderite nodules. The major elemental geochemistry of the lake sediments shows that the Miocene sediments were supplied from severe weathered sources with CIA values of 80-94. The Pliocene sediments show the CIA values of 72-90 showing the relatively weak weathering condition. Behavior of major and REE elements within paleosol profiles shows a marked loss of Na2O without leaching of REE, which should inherit the composition of source rocks, in the middle Miocene. In the early Pliocene, eluviation of Na2O are less reconstructing the weakly developed aleosols. The weathering condition in the middle Miocene to Pliocene in Japanese Islands may be affected by the influence of warm water current and initiation of the Eastern Asian monsoon. The middle Miocene period (10-11 Ma) is considered to have been under the intenser weathering condition than one in the early Pliocene period (3

  1. Manipulation of gold colloidal nanoparticles with atomic force microscopy in dynamic mode: influence of particle–substrate chemistry and morphology, and of operating conditions

    Directory of Open Access Journals (Sweden)

    Samer Darwich


    Full Text Available One key component in the assembly of nanoparticles is their precise positioning to enable the creation of new complex nano-objects. Controlling the nanoscale interactions is crucial for the prediction and understanding of the behaviour of nanoparticles (NPs during their assembly. In the present work, we have manipulated bare and functionalized gold nanoparticles on flat and patterned silicon and silicon coated substrates with dynamic atomic force microscopy (AFM. Under ambient conditions, the particles adhere to silicon until a critical drive amplitude is reached by oscillations of the probing tip. Beyond that threshold, the particles start to follow different directions, depending on their geometry, size and adhesion to the substrate. Higher and respectively, lower mobility was observed when the gold particles were coated with methyl (–CH3 and hydroxyl (–OH terminated thiol groups. This major result suggests that the adhesion of the particles to the substrate is strongly reduced by the presence of hydrophobic interfaces. The influence of critical parameters on the manipulation was investigated and discussed viz. the shape, size and grafting of the NPs, as well as the surface chemistry and the patterning of the substrate, and finally the operating conditions (temperature, humidity and scan velocity. Whereas the operating conditions and substrate structure are shown to have a strong effect on the mobility of the particles, we did not find any differences when manipulating ordered vs random distributed particles.

  2. Manipulation of gold colloidal nanoparticles with atomic force microscopy in dynamic mode: influence of particle–substrate chemistry and morphology, and of operating conditions (United States)

    Darwich, Samer; Rao, Akshata; Gnecco, Enrico; Jayaraman, Shrisudersan; Haidara, Hamidou


    Summary One key component in the assembly of nanoparticles is their precise positioning to enable the creation of new complex nano-objects. Controlling the nanoscale interactions is crucial for the prediction and understanding of the behaviour of nanoparticles (NPs) during their assembly. In the present work, we have manipulated bare and functionalized gold nanoparticles on flat and patterned silicon and silicon coated substrates with dynamic atomic force microscopy (AFM). Under ambient conditions, the particles adhere to silicon until a critical drive amplitude is reached by oscillations of the probing tip. Beyond that threshold, the particles start to follow different directions, depending on their geometry, size and adhesion to the substrate. Higher and respectively, lower mobility was observed when the gold particles were coated with methyl (–CH3) and hydroxyl (–OH) terminated thiol groups. This major result suggests that the adhesion of the particles to the substrate is strongly reduced by the presence of hydrophobic interfaces. The influence of critical parameters on the manipulation was investigated and discussed viz. the shape, size and grafting of the NPs, as well as the surface chemistry and the patterning of the substrate, and finally the operating conditions (temperature, humidity and scan velocity). Whereas the operating conditions and substrate structure are shown to have a strong effect on the mobility of the particles, we did not find any differences when manipulating ordered vs random distributed particles. PMID:21977418

  3. Manipulation of gold colloidal nanoparticles with atomic force microscopy in dynamic mode: influence of particle-substrate chemistry and morphology, and of operating conditions. (United States)

    Darwich, Samer; Mougin, Karine; Rao, Akshata; Gnecco, Enrico; Jayaraman, Shrisudersan; Haidara, Hamidou


    One key component in the assembly of nanoparticles is their precise positioning to enable the creation of new complex nano-objects. Controlling the nanoscale interactions is crucial for the prediction and understanding of the behaviour of nanoparticles (NPs) during their assembly. In the present work, we have manipulated bare and functionalized gold nanoparticles on flat and patterned silicon and silicon coated substrates with dynamic atomic force microscopy (AFM). Under ambient conditions, the particles adhere to silicon until a critical drive amplitude is reached by oscillations of the probing tip. Beyond that threshold, the particles start to follow different directions, depending on their geometry, size and adhesion to the substrate. Higher and respectively, lower mobility was observed when the gold particles were coated with methyl (-CH(3)) and hydroxyl (-OH) terminated thiol groups. This major result suggests that the adhesion of the particles to the substrate is strongly reduced by the presence of hydrophobic interfaces. The influence of critical parameters on the manipulation was investigated and discussed viz. the shape, size and grafting of the NPs, as well as the surface chemistry and the patterning of the substrate, and finally the operating conditions (temperature, humidity and scan velocity). Whereas the operating conditions and substrate structure are shown to have a strong effect on the mobility of the particles, we did not find any differences when manipulating ordered vs random distributed particles.

  4. Chemistry Dashboard (United States)

    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.

  5. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John


    An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....

  6. Impact of surface chemistry (United States)

    Somorjai, Gabor A.; Li, Yimin


    The applications of molecular surface chemistry in heterogeneous catalyst technology, semiconductor-based technology, medical technology, anticorrosion and lubricant technology, and nanotechnology are highlighted in this perspective. The evolution of surface chemistry at the molecular level is reviewed, and the key roles of surface instrumentation developments for in situ studies of the gas–solid, liquid–solid, and solid–solid interfaces under reaction conditions are emphasized. PMID:20880833

  7. Water quality, organic chemistry of sediment, and biological conditions of streams near an abandoned wood-preserving plant site at Jackson, Tennessee (United States)

    Bradfield, A.D.; Flexner, N.M.; Webster, D.A.


    An investigation of water quality, organic sediment chemistry, and biological conditions of streams near an abandoned wood-preserving plant site at Jackson, Tennessee, was conducted during December 1990. The study was designed to assess the extent of possible contamination of water and biota in the streams from creosote-related discharge originating at this Superfund site. Central Creek, adjacent to the plant, had degraded water quality and biological conditions. Water samples from the most downstream station on Central Creek contained 30 micrograms per liter of pentachlorophenol, which exceeds the State's criterion maximum concentrations of 9 micrograms per liter for fish and aquatic life. Bottom-sediment samples from stations on Central Creek contained concentrations of acenaphthene, napthalene, and phenanthrene ranging from 1,400 to 2,500 micrograms per kilogram. Chronic or acute toxicity resulted during laboratory experiments using test organisms exposed to creosote-related contaminants. Sediment elutriate samples from Central Creek caused slightly to highly toxic effects on Ceriodaphnia dubia. Pimephales promelas, and Photobacterium phosphoreum. Fish-tissue samples from this station contained concentrations of naphthalene. dibenzofuran, fluorene, and phenanthrene ranging from 1.5 to 3.9 micrograms per kilogram Blue-green algae at this station represented about 79 percent of the organisms counted, whereas diatoms accounted for only 11 percent. Benthic invertebrate and fish samples from Central Creek had low diversity and density. Sediment samples from a station on the South Fork Forked Deer River downstream from its confluence with Central Creek contained concentrations of acenaphthene, anthracene, chrysene, fluoranthene, fluorene, pyrere, and phenanthrene ranging from 2,800 to 69,000 micrograms per kilogram. Sediment elutriate samples using water as elutriate from this station contained concentrations of extractable organic compounds ranging from an estimated

  8. Chemistry Technology (United States)

    Federal Laboratory Consortium — Chemistry technology experts at NCATS engage in a variety of innovative translational research activities, including:Design of bioactive small molecules.Development...

  9. Current organic chemistry

    National Research Council Canada - National Science Library


    Provides in depth reviews on current progress in the fields of asymmetric synthesis, organometallic chemistry, bioorganic chemistry, heterocyclic chemistry, natural product chemistry, and analytical...

  10. conditions

    Directory of Open Access Journals (Sweden)

    M. Venkatesulu


    Full Text Available Solutions of initial value problems associated with a pair of ordinary differential systems (L1,L2 defined on two adjacent intervals I1 and I2 and satisfying certain interface-spatial conditions at the common end (interface point are studied.

  11. Quantum chemistry

    CERN Document Server

    Lowe, John P


    Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,

  12. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D


    The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

  13. Nuclear Chemistry. (United States)

    Chemical and Engineering News, 1979


    Provides a brief review of the latest developments in nuclear chemistry. Nuclear research today is directed toward increased activity in radiopharmaceuticals and formation of new isotopes by high-energy, heavy-ion collisions. (Author/BB)

  14. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie


    Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.

  15. Arrows in Chemistry

    Indian Academy of Sciences (India)

    IAS Admin

    reaction conditions, reagents and catalysts used in the chemical reaction are written on the chemical reaction arrow. For example,. Arrows in chemistry can be broadly classified as 'reaction arrows' and 'electron arrows'. While the former is used to describe the state or progress of a chemical reaction, the latter is used to.

  16. Alfa Chemistry Released New Application in Medicinal Chemistry.pdf


    Mica, Chloe


    Study on lure conditions of food attracts for stored-grain pests could afford theoretics base for exploitation food attracts, but also enhances trap effects of insect pheromone by associated with food attracts and coh chemistry.

  17. Radiation Chemistry (United States)

    Wojnárovits, L.

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

  18. Polymer Chemistry (United States)

    Williams, Martha; Roberson, Luke; Caraccio, Anne


    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.

  19. Food carbohydrate chemistry

    National Research Council Canada - National Science Library

    Wrolstad, R. E


    .... Now in Food Carbohydrate Chemistry, author Wrolstad emphasizes the application of carbohydrate chemistry to understanding the chemistry, physical and functional properties of food carbohydrates...

  20. Confectionary Chemistry. (United States)

    Levine, Elise Hilf


    Presents activities and demonstrations that enable teachers to use various types of confections as tactile experiences to spark chemistry students' interest and generate enthusiasm for learning. Presents uses of candy in teaching about atomic structure, spontaneous nuclear decay, chemical formulas, fractoluminescence, the effect of a molecular…

  1. Chemistry Notes. (United States)

    School Science Review, 1983


    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;…

  2. Crack propagation in stainless steel AISI 304L in Hydrogen Chemistry conditions (HWC); Propagacion de Grietas en Acero Inoxidable AISI 304L en Condiciones de Quimica de Hidrogeno (HWC)

    Energy Technology Data Exchange (ETDEWEB)

    Diaz S, A.; Fuentes C, P.; Merino C, F. [ININ, Carretera Mexico -Toluca s/n, La Marquesa, Ocoyoacac, Mexico (Mexico); Castano M, V. [Instituto de Fisica Aplicada, UNAM, Km 15.5 Carretera Queretaro-San Luis Potosi, Juriquilla, Queretaro (Mexico)]. e-mail:


    Velocities of crack growth in samples type CT pre cracking of stainless steel AISI 304l solder and sensitized thermally its were obtained by the Rising Displacement method or of growing displacement. It was used a recirculation circuit that simulates the operation conditions of a BWR type reactor (temperature of 280 C and a pressure of 8 MPa) with the chemistry modified by the addition of hydrogen with and without the addition of impurities of a powerful oxidizer like the Cu{sup +} ion. In each essay stayed a displacement velocity was constant of 1x10{sup -9} m/s, making a continuous pursuit of the advance of the crack by the electric potential drop technique. Contrary to the idea of mitigation of the crack propagation velocity by effect of the addition of the hydrogen in the system, the values of the growth velocities obtained by this methodology went similar to the opposing ones under normal operation conditions. To the finish of the rehearsal one carries out the fractographic analysis of the propagation surfaces, which showed cracks growth in trans and intergranular way, evidencing the complexity of the regulator mechanisms of the IGSCC like in mitigation conditions as the alternative Hydrogen Chemistry. (Author)

  3. Propagation of crevices in stainless steel AISI304L in conditions of hydrogen chemistry (HWC); Propagacion de grietas en acero inoxidable AISI304L en condiciones de quimica de hidrogeno (HWC)

    Energy Technology Data Exchange (ETDEWEB)

    Diaz S, A.; Fuentes C, P.; Merino C, F. [ININ, 52750 Ocoyoacac, Estado de Mexico (Mexico); Castano M, V. [IFA-UNAM, Juriquilla, Queretaro (Mexico)]. e-mail:


    Crevice growth velocities in samples of AISI 304L stainless steel thermally welded and sensitized were obtained by the Rising displacement method or of growing displacement. It was used a recirculation circuit in where the operation conditions of a BWR type reactor were simulated (temperature of 288 C and a pressure of 8 MPa) with the chemistry modified by the addition of hydrogen with and without the addition of impurities of a powerful oxidizer like the Cu{sup ++} ion. CT pre cracked specimens were used and each rehearsal stayed to one constant displacement velocity of 1 x 10{sup -9} m/s (3.6 {mu}m/hr), making a continuous pursuit of the advance of the crack by the electric potential drop technique. To the end of the rehearsal it was carried out the fractographic analysis of the propagation surfaces. The values of the growth velocities obtained by this methodology went similar to the opposing ones under normal conditions of operation; while the fractographic analysis show the cracks propagation in trans and intergranular ways, evidencing the complexity of the regulator mechanisms of the one IGSCC even under controlled ambient conditions or with mitigation methodologies like the alternative hydrogen chemistry. (Author)

  4. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry


    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  5. Interstellar chemistry (United States)

    Klemperer, William


    In the past half century, radioastronomy has changed our perception and understanding of the universe. In this issue of PNAS, the molecular chemistry directly observed within the galaxy is discussed. For the most part, the description of the molecular transformations requires specific kinetic schemes rather than chemical thermodynamics. Ionization of the very abundant molecular hydrogen and atomic helium followed by their secondary reactions is discussed. The rich variety of organic species observed is a challenge for complete understanding. The role and nature of reactions involving grain surfaces as well as new spectroscopic observations of interstellar and circumstellar regions are topics presented in this special feature. PMID:16894148

  6. Chemistry in space

    CERN Document Server

    Rehder, Dieter


    The dynamic field of extraterrestrial chemistry brings together ideas of chemistr, astrophysics, and biology to the study of molecules between stars, around stars, and on plantes. This book serves as an introduction to chemial processes under ?unearthly? and hence usually extreme conditions (temperature, pressure, high or low density, bombardment by cosmic rays), and their impact on the early development of our solar system, as well as providing a deeper understanding of processes in earthly regions where conditions approach those of extraterrestrial areas.A unique and extraordinary perspe

  7. Final Technical Report for DOE Grant, number DE-FG02-05ER15701; Probing Surface Chemistry Under Catalytic Conditions: Olefin Hydrogenation,Cyclization and Functionalization.

    Energy Technology Data Exchange (ETDEWEB)

    Neurock, Matthew


    The specific goal of this work was to understanding the catalytic reactions pathways for the synthesis of vinyl acetate over Pd, Au and PdAu alloys. A combination of both experimental methods (X-ray and Auger spectroscopies, low-energy ion scattering (LEIS), low-energy electron diffraction (LEED) and theory (Density Functional Theory (DFT) calculations and Monte Carlo methods under various different reactions) were used to track the surface chemistry and the influence of alloying. The surface intermediates involved in the various reactions were characterized using reflection-absorption infrared spectroscopy and LEED to identify the nature of the surface species and temperature-programmed desorption (TPD) to follow the decomposition pathways and measure heats of adsorption. These results along with those from density functional theoretical calculations were used determine the kinetics for elementary steps. The results from this work showed that the reaction proceeds via the Samanos mechanism over Pd surfaces whereby the ethylene directly couples with acetate to form an acetoxyethyl intermediate that subsequently undergoes a beta-hydride elimination to form the vinyl acetate monomer. The presence of Au was found to modify the adsorption energies and surface coverages of important surface intermediates including acetate, ethylidyne and ethylene which ultimately influences the critical C-H activation and coupling steps. By controlling the surface alloy composition or structure one can begin to control the steps that control the rate and even the mechanism.

  8. Destruction Chemistry of Mustard Simulants (United States)


    organosulfur compounds under both pyrolytic and oxidative conditions. We focus on the destruction of alkyl sulfides that are surrogates for chemical... organosulfur , oxidation, pyrolysis, chemical kinetic mechanism, thermochemistry, reaction, kinetics, flow reactor, GC/MS, FTIR, mustard agent simulant, CWA...destruction chemistry of organosulfur compounds under both pyrolytic and oxidative conditions. We focus on the destruction of alkyl sulfides that are

  9. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N.J. [Lawrence Berkeley Laboratory, CA (United States)


    This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).

  10. Immobilization chemistries. (United States)

    Todt, Sascha; Blohm, Dietmar H


    Among the parameters which influence the success of a microarray experiment, the attachment of the nucleic acid captures to the support surface plays a decisive role.This article attempts to review the main concepts and ideas of the multiple variants which exist in terms of the immobilization chemistries used in nucleic acid microarray technology. Starting from the attachment of unmodified nucleic acids to modified glass slides by adsorption, further strategies for the coupling of nucleic acid capture molecules to a variety of support materials are surveyed with a focus on the reactive groups involved in the respective process.After a brief introduction, an overview is given about microarray substrates with special emphasis on the approaches used for the activation of these - usually chemically inert - materials. In the next sections strategies for the "undefined" and "defined" immobilization of captures on the substrates are described. While the latter approach tries to accomplish the coupling via a defined reactive moiety of the molecule to be immobilized, the former mentioned techniques involve multiply occurring reactive groups in the capture.The article finishes with an example for microarray manufacture, the production of aminopropyltriethoxysilane (APTES) functionalized glass substrates to which PDITC homobifunctional linker molecules are coupled; on their part providing reactive functional groups for the covalent immobilization of pre-synthesized, amino-modified oligonucleotides.This survey does not seek to be comprehensive rather it tries to present and provide key examples for the basic techniques, and to enable orientation if more detailed studies are needed. This review should not be considered as a guide to how to use the different chemistries described, but instead as a presentation of various principles and approaches applied in the still evolving field of nucleic acid microarray technology.

  11. Public perception of chemistry


    Stražar, Alenka


    The thesis deals with the perception of chemistry among the public, which reflects the stereotypes that people have about chemistry. It presents the existing classification of stereotypes about chemistry and their upgrade. An analysis of movies that reflect the existing perception of chemistry in the public is written. Literature on selected aspects of the application of chemistry in movies is collected and analyzed. A qualification of perception of chemistry in the movies is presented based ...

  12. USSR Report Chemistry

    National Research Council Canada - National Science Library


    Contents: Adsorption, Chemistry,Alkaloids, Analytical Chemistry, Catalysis,Chemical Industry,,Coal Gasification, Combustion, Electrochemistry,Explosives and Explosions, Fertilizers, Free Radicals, Inorganic...

  13. Science Update: Inorganic Chemistry. (United States)

    Rawls, Rebecca


    Describes areas of inorganic chemistry which have changed dramatically in the past year or two, including photochemistry, electrochemistry, organometallic complexes, inorganic reaction theory, and solid state chemistry. (DS)

  14. The chemistry of playa-lake-sediments as a tool for the reconstruction of Holocene environmental conditions - a case study from the central Ebro basin (United States)

    Schütt, Brigitta

    The focus of the presented study is the reconstruction of the Holocene limnic and drainage basin conditions of the Laguna de Jabonera, a today playa-lake-system in the Desierto de Calanda, central Ebro Basin, using the inorganic characters of the lacustrine sediments. Mineralogical fabric helped to reconstruct the overall geomorphic processes and gives clues to the synsedimentary limnic environment (paleosalinity). The chemical composition of the lacustrine sediments largely reflects the mineralogical composition, but the higher resolution of the geochemical data compared to the mineralogical data enables to stratigraphically split the extracted core profile into three stratigraphic units. Supplementally, it is demonstrated that Statistics between chemical compounds point to the synsedimentary intensity of weathering and soil forming processes. As for the lacustrine sediments investigated there are no data yet available a preliminary chronological framework is derived by comparison with results from neighbouring areas. Based on this the hypothesis is put forward that during the socalled Little Ice Age subhumid to dry-subhumid environmental conditions occurred. Also possibly during the late Subboreal distinct wetter environmental conditions than today prevailed. Additionally, it is demonstrated that in the most recent past human impact is causing increased erosion rates and, thus, increased deposition of detritals in the most recent lacustrine sediments.

  15. Chemistry in Our Life

    Indian Academy of Sciences (India)

    IAS Admin

    toothpaste, soaps and cosmetics, (7) plastics and polymers, (8) chemistry in health and disease, (9) chemistry of building, (10) fire chemistry and (11) chemistry of electricity. To write on these topics at a popular level for lay persons, without bringing in chemical for- mulas, structures or equations, is extremely difficult.

  16. Application of Clinopyroxene Chemistry to Interpret the Physical Conditions of Ascending Magma, a Case Study of Eocene Volcanic Rocks in the Ghohrud Area (North of Isfahan

    Directory of Open Access Journals (Sweden)

    Mohammad Sayari


    Full Text Available Introduction Volcanic rocks with a porphyritic texture have experienced two crystallization stages. The first is slow, resulting in phenocrysts, and the second, which took place at, or near the surface, or during intrusion into a cooler body of rock, result in a groundmass of glass, or fine crystals. The pressure and temperature history of a magma during crystallization is recorded in the chemical composition of the phenocrysts during both stages. These phenocrysts provide valuable data about the physicochemical conditions of the parent magma during the process of crystallization. The composition of clinopyroxene (cpx reflects not only the chemical condition and therefore the magmatic series, but also the physical conditions, i.e., temperature and pressure of a magma at the time when clinopyroxene crystallized. The Ghohrud area lies in the middle part of the Urumieh-Dokhtar Magmatic Arc , which is part of a much larger magmatic province extending in a vast region of convergence between Arabia and Eurasia north of the Zagros-Bitlis suture zone (Dilek et al., 2010. In the Ghohrud area, north of Isfahan, exposed Eocene volcanic rocks belong to the first pulse of Cenozoic volcanism of Iran (Sayari, 2015, ranging in composition from andesitic basalt to basalt. The basaltic rocks of the Ghohrud area are composed mainly of plagioclase phenocrysts surrounded by smaller crystals of clinopyroxene in a groundmass of microlites, glass and opaques. In this study, the clinopyroxene and plagioclase of these rocks were analyzed in order to estimate the physicochemical conditions of the parent magmas. Results Clinopyroxene and plagioclase phenocrysts of nineteen samples were analyzed with the electron microprobe. The chemical compositions of the clinopyroxenes were used to estimate both the chemical evolution and temperature and pressure conditions of the magmas during crystallization, using SCG, a specialized software for clinopyroxene thermobarometry (Sayari

  17. Do morphometric parameters and geological conditions determine chemistry of glacier surface ice? Spatial distribution of contaminants present in the surface ice of Spitsbergen glaciers (European Arctic). (United States)

    Lehmann, Sara; Gajek, Grzegorz; Chmiel, Stanisław; Polkowska, Żaneta


    The chemism of the glaciers is strongly determined by long-distance transport of chemical substances and their wet and dry deposition on the glacier surface. This paper concerns spatial distribution of metals, ions, and dissolved organic carbon, as well as the differentiation of physicochemical parameters (pH, electrical conductivity) determined in ice surface samples collected from four Arctic glaciers during the summer season in 2012. The studied glaciers represent three different morphological types: ground based (Blomlibreen and Scottbreen), tidewater which evolved to ground based (Renardbreen), and typical tidewater glacier (Recherchebreen). All of the glaciers are functioning as a glacial system and hence are subject to the same physical processes (melting, freezing) and the process of ice flowing resulting from the cross-impact force of gravity and topographic conditions. According to this hypothesis, the article discusses the correlation between morphometric parameters, changes in mass balance, geological characteristics of the glaciers and the spatial distribution of analytes on the surface of ice. A strong correlation (r = 0.63) is recorded between the aspect of glaciers and values of pH and ions, whereas dissolved organic carbon (DOC) depends on the minimum elevation of glaciers (r = 0.55) and most probably also on the development of the accumulation area. The obtained results suggest that although certain morphometric parameters largely determine the spatial distribution of analytes, also the geology of the bed of glaciers strongly affects the chemism of the surface ice of glaciers in the phase of strong recession.

  18. Green chemistry: A tool in Pharmaceutical Chemistry


    Smita Talaviya; Falguni Majumdar


    Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceut...

  19. Organometallic frustrated Lewis pair chemistry. (United States)

    Erker, Gerhard


    Frustrated Lewis pairs are playing an increasingly important role in organometallic chemistry. Examples are presented and discussed where organometallic systems themselves serve as the Lewis base or Lewis acid components in frustrated Lewis pair chemistry, mostly through their attached functional groups. Activation of dihydrogen takes place easily in many of these systems. This may lead to the generation of novel catalyst systems but also in many cases to the occurrence of specific reactions at the periphery of the organometallic frameworks. Increasingly, FLP reactions are used to carry out functional group conversions in organometallic systems under mild reaction conditions. The limits of typical FLP reactivity are explored with selected organometallic examples, a discussion that points toward new developments, such as the discovery of facile new 1,1-carboboration reactions. Learning more and more about the broad spectrum of frustrated Lewis pair chemistry helps us to find novel reactions and applications.

  20. Mars aqueous chemistry experiment (United States)

    Clark, Benton C.; Mason, Larry W.


    The Mars Aqueous Chemistry Experiment (MACE) is designed to conduct a variety of measurements on regolith samples, encompassing mineral phase analyses, chemical interactions with H2O, and physical properties determinations. From these data, much can be learned or inferred regarding the past weathering environment, the contemporaneous soil micro-environments, and the general chemical and physical state of the Martian regolith. By analyzing both soil and duricrust samples, the nature of the latter may become more apparent. Sites may be characterized for comparative purposes and criteria could be set for selection of high priority materials on future sample return missions. Progress for the first year MACE PIDDP is reported in two major areas of effort: (1) fluids handling concepts, definition, and breadboard fabrication and (2) aqueous chemistry ion sensing technology and test facility integration. A fluids handling breadboard was designed, fabricated, and tested at Mars ambient pressure. The breadboard allows fluid manipulation scenarios to be tested under the reduced pressure conditions expected in the Martian atmosphere in order to validate valve operations, orchestrate analysis sequences, investigate sealing integrity, and to demonstrate efficacy of the fluid handling concept. Additional fluid manipulation concepts have also been developed based on updated MESUR spacecraft definition. The Mars Aqueous Chemistry Experiment Ion Selective Electrode (ISE) facility was designed as a test bed to develop a multifunction interface for measurements of chemical ion concentrations in aqueous solution. The interface allows acquisition of real time data concerning the kinetics and heats of salt dissolution, and transient response to calibration and solubility events. An array of ion selective electrodes has been interfaced and preliminary calibration studies performed.

  1. Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry. (United States)

    Lehn, Jean-Marie


    Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.

  2. Coordination Chemistry of Life Processes: Bioinorganic Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 9. Coordination Chemistry of Life Processes: Bioinorganic Chemistry. R N Mukherjee. General Article Volume 4 Issue 9 September 1999 pp 53-62. Fulltext. Click here to view fulltext PDF. Permanent link:

  3. Environmental chemistry: Volume A

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T.F.


    This is an extensive introduction to environmental chemistry for engineering and chemical professionals. The contents of Volume A include a brief review of basic chemistry prior to coverage of litho, atmo, hydro, pedo, and biospheres.

  4. A dictionary of chemistry

    National Research Council Canada - National Science Library

    Daintith, John


    "Fully revised and updated, the sixth edition of this popular dictionary covers all aspects of chemistry from physical chemistry to biochemisty, and boasts broader coverage in forensics, metallurgy, and geology...

  5. Organometallic Chemistry of Molybdenum. (United States)

    Lucas, C. Robert; Walsh, Kelly A.


    Suggests ways to avoid some of the problems students have learning the principles of organometallic chemistry. Provides a description of an experiment used in a third-year college chemistry laboratory on molybdenum. (TW)

  6. Advanced Chemistry Laboratory (United States)

    Federal Laboratory Consortium — Description/History: Chemistry laboratoryThe Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...

  7. Algorithmic chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Fontana, W.


    In this paper complex adaptive systems are defined by a self- referential loop in which objects encode functions that act back on these objects. A model for this loop is presented. It uses a simple recursive formal language, derived from the lambda-calculus, to provide a semantics that maps character strings into functions that manipulate symbols on strings. The interaction between two functions, or algorithms, is defined naturally within the language through function composition, and results in the production of a new function. An iterated map acting on sets of functions and a corresponding graph representation are defined. Their properties are useful to discuss the behavior of a fixed size ensemble of randomly interacting functions. This function gas'', or Turning gas'', is studied under various conditions, and evolves cooperative interaction patterns of considerable intricacy. These patterns adapt under the influence of perturbations consisting in the addition of new random functions to the system. Different organizations emerge depending on the availability of self-replicators.

  8. Chemistry is Evergreen

    Indian Academy of Sciences (India)


    RESONANCE ⎜ March 2009. GENERAL ⎜ ARTICLE. Keywords. Green fluorescent protein,. FRET. Chemistry is Evergreen. 2008 Nobel Prize in Chemistry. Swagata Dasgupta. Swagata Dasgupta is an. Associate Professor in the. Department of Chemistry at IIT Kharagpur. Her research interests revolve around proteins and ...

  9. Green Chemistry and Education. (United States)

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


    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)

  10. American Association for Clinical Chemistry (United States)

    ... Find the answer to your question IN CLINICAL CHEMISTRY Hs-cTnI as a Gatekeeper for Further Cardiac ... Online Commission on Accreditation in Clinical Chemistry American Board of Clinical Chemistry Clinical Chemistry Trainee ...

  11. Introduction to structural chemistry

    CERN Document Server

    Batsanov, Stepan S


    A concise description of models and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the most up-to-date experimental data on energy characteristics of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of phase transitions, band and lattice energies), optical properties (refractive index, polarisability), spectroscopic characteristics and geometrical parameters (bond distances and angles, coordination numbers) of substances in gaseous, liquid and solid states, in glasses and melts, for various thermodynamic conditions. Systems of metallic, covalent, ionic and van der Waals radii, effective atomic charges and other empirical and semi-empirical models are critically revised. Special attention is given to new and growing areas: structural studies of solids under high pressures and van der Waals molecules in gases. The book is addressed to researchers, academics, postgraduates and advanced-course stu...

  12. The New Color of Chemistry: Green Chemistry

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK


    Full Text Available Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provide a solution for this requirement, green chemistry rules and under standings should be primarily taken in the university curriculum and at all educational levels.

  13. Surface chemistry essentials

    CERN Document Server

    Birdi, K S


    Surface chemistry plays an important role in everyday life, as the basis for many phenomena as well as technological applications. Common examples range from soap bubbles, foam, and raindrops to cosmetics, paint, adhesives, and pharmaceuticals. Additional areas that rely on surface chemistry include modern nanotechnology, medical diagnostics, and drug delivery. There is extensive literature on this subject, but most chemistry books only devote one or two chapters to it. Surface Chemistry Essentials fills a need for a reference that brings together the fundamental aspects of surface chemistry w

  14. The New Color of Chemistry: Green Chemistry


    Zuhal GERÇEK


    Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provid...

  15. Patterns in clinical chemistry requests


    Hemel, Jan B.; Hindriks, Frans R.; van der Voet, Hilko; Rijnveld, Leo R.


    For each patient sample that is presented to the clinical chemistry laboratory a combination of various tests can be requested. This combination or profile will depend on the condition of the patient, and hence also on the requesting hospital department. Several techniques were applied to detect and describe patterns in tests requested by the cardiology, hepatology and nephrology sections of the out-patient's Department for Internal Medicine. Comparison of the frequencies of ordering the test...

  16. Atmospheric chemistry over southern Africa (United States)

    Gatebe, Charles K.; Levy, Robert C.; Thompson, Anne M.


    Changing Chemistry in a Changing Climate: Human and Natural Impacts Over Southern Africa (C4-SAR); Midrand, South Africa, 31 May to 3 June 2011 During the southern African dry season, regional haze from mixed industrial pollution, biomass burning aerosol and gases from domestic and grassland fires, and biogenic sources from plants and soils is worsened by a semipermanent atmospheric gyre over the subcontinent. These factors were a driver of several major international field campaigns in the 1990s and early 2000s and attracted many scientists to the region. Some researchers were interested in understanding fundamental processes governing chemistry of the atmosphere and interaction with climate change. Others found favorable conditions for evaluating satellite- derived measurements of atmospheric properties and a changing land surface. With that background in mind a workshop on atmospheric chemistry was held in South Africa. Sponsored by the International Commission on Atmospheric Chemistry and Global Pollution (ICACGP;, the workshop received generous support from Eskom, the South African power utility; and the Climatology Research Group of the University of the Witwatersrand, Johannesburg, South Africa.

  17. Journal of Business Chemistry



    The Journal of Business Chemistry examines issues associated with leadership and management for chemists and managers working in chemical research or industry. This journal is devoted to improving and developing the field of Business Chemistry. The Journal of Business Chemistry publishes peer-reviewed papers (including case studies) and essays. Areas for possible publication in include: leadership issues in the chemical and biochemical industry, such as teamwork, team building, mentoring, coa...

  18. Orbital interactions in chemistry

    CERN Document Server

    Albright, Thomas A; Whangbo, Myung-Hwan


    Explains the underlying structure that unites all disciplines in chemistry Now in its second edition, this book explores organic, organometallic, inorganic, solid state, and materials chemistry, demonstrating how common molecular orbital situations arise throughout the whole chemical spectrum. The authors explore the relationships that enable readers to grasp the theory that underlies and connects traditional fields of study within chemistry, thereby providing a conceptual framework with which to think about chemical structure and reactivity problems. Orbital Interactions

  19. USSR Report, Chemistry

    National Research Council Canada - National Science Library


    This USSR Report on Chemistry contains articles on Aerosols, Adsorption, Biochemistry, Catalysis, Chemical Industry, Coal Gasification, Electrochemistry, Explosives and Explosions, Fertilizers, Food...

  20. Advances in quantum chemistry

    CERN Document Server

    Sabin, John R


    Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features

  1. Canopy Chemistry (OTTER) (United States)

    National Aeronautics and Space Administration — Canopy characteristics: leaf chemistry, specific leaf area, LAI, PAR, IPAR, NPP, standing biomass--see also: Meteorology (OTTER) for associated meteorological...

  2. Solution phase combinatorial chemistry. (United States)

    Merritt, A T


    Combinatorial chemistry and parallel array synthesis techniques are now used extensively in the drug discovery process. Although published literature has been dominated by solid phase chemistry approaches, the use of solution phase techniques has also been widely explored. This review considers the advantages and disadvantages of choosing solution phase approaches in the various stages of drug discovery and optimisation, and assesses the practical issues related to these approaches. The uses of standard solution chemistry, the related liquid phase approach, and of supported materials to enhance solution phase chemistry are all illustrated by a comprehensive review of the published literature over the past three years.

  3. Elements of environmental chemistry

    National Research Council Canada - National Science Library

    Hites, R. A; Raff, Jonathan D


    ... more. Extensively revised, updated, and expanded, this second edition includes new chapters on atmospheric chemistry, climate change, and polychlorinated biphenyls and dioxins, and brominated flame retardants...

  4. Computational Chemistry for Kids

    National Research Council Canada - National Science Library

    Naef, Olivier


    This article aims to show that computational chemistry is not exclusively restricted to molecular energy and structure calculations but also includes chemical process control and reaction simulation...

  5. Green Chemistry Pedagogy (United States)

    Kolopajlo, Larry


    This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.

  6. Modern Trends in Inorganic Chemistry

    Indian Academy of Sciences (India)


    projections of research in frontier areas of inorganic chemistry, includ- ing organometallics, bio-inorganic chemistry, catalysis and materials chemistry. We do hope that the wide range of topics covered in this Issue reflect the current trends of research in inorganic chemistry in India and prac- titioners of inorganic chemistry ...

  7. Buffer Capacity, Ecosystem Feedbacks, and Seawater Chemistry under Global Change

    Directory of Open Access Journals (Sweden)

    Robert J. Toonen


    Full Text Available Ocean acidification (OA results in reduced seawater pH and aragonite saturation state (Ωarag, but also reduced seawater buffer capacity. As buffer capacity decreases, diel variation in seawater chemistry increases. However, a variety of ecosystem feedbacks can modulate changes in both average seawater chemistry and diel seawater chemistry variation. Here we model these effects for a coastal, reef flat ecosystem. We show that an increase in offshore pCO2 and temperature (to 900 µatm and + 3 °C can increase diel pH variation by as much as a factor of 2.5 and can increase diel pCO2 variation by a factor of 4.6, depending on ecosystem feedbacks and seawater residence time. Importantly, these effects are different between day and night. With increasing seawater residence time and increasing feedback intensity, daytime seawater chemistry becomes more similar to present-day conditions while nighttime seawater chemistry becomes less similar to present-day conditions. Recent studies suggest that carbonate chemistry variation itself, independent of the average chemistry conditions, can have important effects on marine organisms and ecosystem processes. Better constraining ecosystem feedbacks under global change will improve projections of coastal water chemistry, but this study shows the importance of considering changes in both average carbonate chemistry and diel chemistry variation for organisms and ecosystems.

  8. Diversity in Medicinal Chemistry. (United States)

    Peralta, David


    The wide world of medicinal chemistry: We look back at our activities in 2017, particularly the expansion of the journal's scope to nanomedicine and why we need a more inclusive medicinal chemistry journal. Additionally, we look at upcoming special issues and developments for ChemPubSoc Europe in 2018. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Chemistry in Microfluidic Channels (United States)

    Chia, Matthew C.; Sweeney, Christina M.; Odom, Teri W.


    General chemistry introduces principles such as acid-base chemistry, mixing, and precipitation that are usually demonstrated in bulk solutions. In this laboratory experiment, we describe how chemical reactions can be performed in a microfluidic channel to show advanced concepts such as laminar fluid flow and controlled precipitation. Three sets of…

  10. Exercises in Computational Chemistry

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens


    A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16).......A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16)....

  11. The Breath of Chemistry

    DEFF Research Database (Denmark)

    Josephsen, Jens

    The present preliminary text is a short thematic presentation in biological inorganic chemistry meant to illustrate general and inorganic (especially coordination) chemistry in biochemistry. The emphasis is on molecular models to explain features of the complicated mechanisms essential to breathing...

  12. Movies in Chemistry Education (United States)

    Pekdag, Bulent; Le Marechal, Jean-Francois


    This article reviews numerous studies on chemistry movies. Movies, or moving pictures, are important elements of multimedia and signify a privileged or motivating means of presenting knowledge. Studies on chemistry movies show that the first movie productions in this field were devoted to university lectures or documentaries. Shorter movies were…

  13. Chemistry of americium

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, W.W.


    Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)

  14. Chemistry is Evergreen

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 3. Chemistry is Everygreen - 2008 Nobel Prize in Chemistry. Swagata Dasgupta. General Article Volume 14 Issue 3 March 2009 pp 248-258. Fulltext. Click here to view fulltext PDF. Permanent link:

  15. Transuranic Computational Chemistry. (United States)

    Kaltsoyannis, Nikolas


    Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Biosynthetic inorganic chemistry. (United States)

    Lu, Yi


    Inorganic chemistry and biology can benefit greatly from each other. Although synthetic and physical inorganic chemistry have been greatly successful in clarifying the role of metal ions in biological systems, the time may now be right to utilize biological systems to advance coordination chemistry. One such example is the use of small, stable, easy-to-make, and well-characterized proteins as ligands to synthesize novel inorganic compounds. This biosynthetic inorganic chemistry is possible thanks to a number of developments in biology. This review summarizes the progress in the synthesis of close models of complex metalloproteins, followed by a description of recent advances in using the approach for making novel compounds that are unprecedented in either inorganic chemistry or biology. The focus is mainly on synthetic "tricks" learned from biology, as well as novel structures and insights obtained. The advantages and disadvantages of this biosynthetic approach are discussed.

  17. Iodine chemistry in a reactor regulation

    Energy Technology Data Exchange (ETDEWEB)

    Powers, D.A. [Nuclear Regulatory Commission, Washington, DC (United States). Advisory Committee on Reactor Safeguards


    Radioactive iodine has always been an important consideration in the regulation of nuclear power reactors to assure the health and safety of the public. Regulators adopted conservatively bounding predictions of iodine behavior in the earliest days of the development of nuclear power because there was so little known about either accidents or the chemistry of iodine. Today there is a flood of new information and understanding of the chemistry of iodine under reactor accident conditions. This paper offers some thoughts on how the community of scientists engaged in the study of iodine chemistry can present the results of their work so that it is more immediately adopted by the regulator. It is suggested that the scientific community consider the concept of consensus standards so effectively used within the engineering community to define the status of the study of radioactive iodine chemistry for reactor safety. (author) 9 refs.

  18. Korean Kimchi Chemistry: A Multicultural Chemistry Connection (United States)

    Murfin, Brian


    Connecting science with different cultures is one way to interest students in science, to relate science to their lives, and at the same time to broaden their horizons in a variety of ways. In the lesson described here, students make kimchi, a delicious and popular Korean dish that can be used to explore many important chemistry concepts,…

  19. Annual Report 1984. Chemistry Department

    DEFF Research Database (Denmark)

    Funck, Jytte; Nielsen, Ole John

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, an......, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general.......This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry...

  20. Atmospheric Chemistry Over Southern Africa (United States)

    Gatebe, Charles K.; Levy, Robert C.; Thompson, Anne M.


    During the southern African dry season, regional haze from mixed industrial pollution, biomass burning aerosol and gases from domestic and grassland fires, and biogenic sources from plants and soils is worsened by a semi-permanent atmosphere gyre over the subcontinent. These factors were a driver of several major international field campaigns in the 1990s and early 2000s, and attracted many scientists to the region. Some researchers were interested in understanding fundamental processes governing chemistry of the atmosphere and interaction with climate change. Others found favorable conditions for evaluating satellite-derived measurements of atmospheric properties and a changing land surface. With that background in mind a workshop on atmospheric chemistry was held in South Africa. Sponsored by the International Commission for Atmospheric Chemistry and Global Pollution (ICACGP;, the workshop received generous support from the South African power utility, Eskom, and the Climatology Research Group of the University of the Witwatersrand, Johannesburg, South Africa. The purpose of the workshop was to review some earlier findings as well as more recent findings on southern African climate vulnerability, chemical changes due to urbanization, land-use modification, and how these factors interact. Originally proposed by John Burrows, president of ICACGP, the workshop was the first ICACGP regional workshop to study the interaction of air pollution with global chemical and climate change. Organized locally by the University of the Witwatersrand, the workshop attracted more than 60 delegates from South Africa, Mozambique, Botswana, Zimbabwe, France, Germany, Canada, and the United States. More than 30 presentations were given, exploring both retrospective and prospective aspects of the science. In several talks, attention was focused on southern African chemistry, atmospheric pollution monitoring, and climate processes as they were studied in the field

  1. Bioconjugation in pharmaceutical chemistry. (United States)

    Veronese, F M; Morpurgo, M


    increase of the molecular weight of the conjugate allows to overcome the kidney elimination threshold. Many successful results were already obtained in peptides and proteins, conjugated mainly to water soluble or amphiphilic polymers like poly(ethylene glycol) (PEG), dextrans, or styrenemaleic acid anhydride. Among the most successful are the conjugates of asparaginase, interleukin-2 or -6 and neocarcinostatin, to remind some antitumor agents, adenosine deaminase employed in a genetic desease treatment, superoxide dismutase as scavenger of toxic radicals, hemoglobin as oxygen carrier and urokinase and streptokinase as proteins with antithrombotic activity. In pharmaceutical chemistry the conjugation with polymers is also of great importance for synthetic applications since many enzymes without loss of catalytic activity become soluble in organic solvents where many drug precursors are. The various and often difficult chemical problems encountered in conjugation of so many different products prompted the development of many synthetic procedures, all characterized by high specificity and mild condition of reaction, now known as 'bioconjugation chemistry'. Bioconjugation developed also the design of new tailor-made polymers with the wanted molecular weight, shape, structure and with the functional groups needed for coupling at the wanted positions in the chain.

  2. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G


    Mathematics for Physical Chemistry is the ideal supplementary text for practicing chemists and students who want to sharpen their mathematics skills while enrolled in general through physical chemistry courses. This book specifically emphasizes the use of mathematics in the context of physical chemistry, as opposed to being simply a mathematics text. This 4e includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The early chapters are constructed around a sequence of mathematical topics, wit

  3. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T


    Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

  4. Spatially Resolved Artificial Chemistry

    DEFF Research Database (Denmark)

    Fellermann, Harold


    Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...... made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction...

  5. Experiments in physical chemistry

    CERN Document Server

    Wilson, J M; Denaro, A R


    Experiments in Physical Chemistry, Second Edition provides a compilation of experiments concerning physical chemistry. This book illustrates the link between the theory and practice of physical chemistry. Organized into three parts, this edition begins with an overview of those experiments that generally have a simple theoretical background. Part II contains experiments that are associated with more advanced theory or more developed techniques, or which require a greater degree of experimental skill. Part III consists of experiments that are in the nature of investigations wherein these invest


    Energy Technology Data Exchange (ETDEWEB)

    E. Thomas


    This report was developed in accordance with the requirements in ''Technical Work Plan for Postclosure Waste Form Modeling'' (BSC 2005 [DIRS 173246]). The purpose of the in-package chemistry model is to predict the bulk chemistry inside of a breached waste package and to provide simplified expressions of that chemistry as a function of time after breach to Total Systems Performance Assessment for the License Application (TSPA-LA). The scope of this report is to describe the development and validation of the in-package chemistry model. The in-package model is a combination of two models, a batch reactor model, which uses the EQ3/6 geochemistry-modeling tool, and a surface complexation model, which is applied to the results of the batch reactor model. The batch reactor model considers chemical interactions of water with the waste package materials, and the waste form for commercial spent nuclear fuel (CSNF) waste packages and codisposed (CDSP) waste packages containing high-level waste glass (HLWG) and DOE spent fuel. The surface complexation model includes the impact of fluid-surface interactions (i.e., surface complexation) on the resulting fluid composition. The model examines two types of water influx: (1) the condensation of water vapor diffusing into the waste package, and (2) seepage water entering the waste package as a liquid from the drift. (1) Vapor-Influx Case: The condensation of vapor onto the waste package internals is simulated as pure H{sub 2}O and enters at a rate determined by the water vapor pressure for representative temperature and relative humidity conditions. (2) Liquid-Influx Case: The water entering a waste package from the drift is simulated as typical groundwater and enters at a rate determined by the amount of seepage available to flow through openings in a breached waste package.

  7. Chemistry with a Peel. (United States)

    Borer, Londa; Larsen, Eric


    Presents experiments that introduce natural product chemistry into high school classrooms. In the laboratory activities, students isolate and analyze the oil in orange peels. Students also perform a steam distillation and learn about terpenes. (DDR)

  8. Microfluidics in inorganic chemistry. (United States)

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


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

  9. Supplemental instruction in chemistry (United States)

    Lundeberg, Mary A.

    This study was designed to measure some effects of supplemental instruction in chemistry. Supplemental instruction is a peer-led cooperative learning program that encourages students to develop conceptual understanding by articulating both understandings and misconceptions in a think-aloud fashion. Supplemental instruction was offered three hours weekly outside of class and lab time for students in four classes of General Organic and Biological Chemistry. Over a two-year period 108 students volunteered to participate in this program; 45 students did not participate. As measured by final grades in chemistry and responses to a questionnaire, supplemental instruction was effective in increasing students' achievement in chemistry. Further research is needed to determine the in-depth effects of supplemental instruction on students' learning, problem solving, and self-esteem.

  10. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 7. Electrostatics in Chemistry - Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 7 July 1999 pp 14-23 ...

  11. Applications of supramolecular chemistry

    CERN Document Server

    Schneider, Hans-Jörg


    ""The time is ripe for the present volume, which gathers thorough presentations of the numerous actually realized or potentially accessible applications of supramolecular chemistry by a number of the leading figures in the field. The variety of topics covered is witness to the diversity of the approaches and the areas of implementation…a broad and timely panorama of the field assembling an eminent roster of contributors.""-Jean-Marie Lehn, 1987 Noble Prize Winner in Chemistry

  12. Fundamentals of quantum chemistry

    CERN Document Server

    House, J E


    An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical tools are presented and developed as needed and only basic calculus, chemistry, and physics is assumed. Applications include atomic and molecular structure, spectroscopy, alpha decay, tunneling, and superconductivity. New edition includes sections on perturbation theory, orbital symmetry of diatomic molecules, the Huckel MO method and Woodward/Hoffman rules as well as a new chapter on SCF and Hartree-Fock methods. * This revised text clearly presents basic q

  13. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T


    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  14. Tropical Soil Chemistry

    DEFF Research Database (Denmark)

    Borggaard, Ole K.

    and environmental protection. Tropical Soil Chemistry by Ole K. Borggaard provides an overview of the composition, occurrence, properties, processes, formation, and environmental vulnerability of various tropical soil types (using American Soil Taxonomy for classification). The processes and the external factors...... soil chemical issues are also presented to assess when, why, and how tropical soils differ from soils in other regions. This knowledge can help agricultural specialists in the tropics establish sustainable crop production. Readers are assumed to be familiar with basic chemistry, physics...

  15. Hematology and serum chemistry reference values of stray dogs in ...

    African Journals Online (AJOL)

    Hematology and serum chemistry values were obtained from 28 male and 22 female stray dogs in Chittagong Metropolitan area, Bangladesh. The goal of the study was to establish reference value for hematology and serum chemistry for these semi wild animals in relation to age, sex, reproductive stage and body condition.

  16. Soil Studies: Applying Acid-Base Chemistry to Environmental Analysis. (United States)

    West, Donna M.; Sterling, Donna R.


    Laboratory activities for chemistry students focus attention on the use of acid-base chemistry to examine environmental conditions. After using standard laboratory procedures to analyze soil and rainwater samples, students use web-based resources to interpret their findings. Uses CBL probes and graphing calculators to gather and analyze data and…

  17. Chemistry beyond positivism. (United States)

    Brandt, Werner W


    Chemistry is often thought to be quite factual, and therefore might be considered close to the "positivist" ideal of a value-free science. A closer look, however, reveals that the field is coupled to the invisible realm of values, meanings, and purpose in various ways, and chemists interact with that realm loosely and unevenly. Tacit knowledge is one important locus of such interactions. We are concerned in this essay with two questions. What is the nature of the knowledge when we are in the early stages of discovery? and In what ways does the hidden reality we are seeking affect our search for an understanding of it? The first question is partly answered by Polanyi's theory of tacit knowledge, while the second one leads us to realize the limitations of our language when discussing "reality"-or certain chemical experimental results. A strictly positivist approach is of little use, but so is the opposite, the complete disregard of facts. The contrast between positivism and non-formulable aspects of scientific reasoning amounts to a paradox that needs to be analyzed and can lead to a "connected" chemistry. This in turn resembles networks described by Schweber and is more concerned than the chemistry "as it is" with aspects such as the image of chemistry, the challenges chemists face as citizens, and chemistry in liberal education.

  18. Quantum theory and chemistry: Two propositions (United States)

    Aronowitz, S.


    Two propositions concerning quantum chemistry are proposed. First, it is proposed that the nonrelativistic Schroedinger equation, where the Hamiltonian operator is associated with an assemblage of nuclei and electrons, can never be arranged to yield specific molecules in the chemists' sense. It is argued that this result is a necessary condition if the Schroedinger has relevancy to chemistry. Second, once a system is in a particular state with regard to interactions among its components (the assemblage of nuclei and electrons), it cannot spontaneously eliminate any of those interactions. This leads to a subtle form of irreversibility.

  19. In-Package Chemistry Abstraction

    Energy Technology Data Exchange (ETDEWEB)

    E. Thomas


    This report was developed in accordance with the requirements in ''Technical Work Plan for: Regulatory Integration Modeling and Analysis of the Waste Form and Waste Package'' (BSC 2004 [DIRS 171583]). The purpose of the in-package chemistry model is to predict the bulk chemistry inside of a breached waste package and to provide simplified expressions of that chemistry as function of time after breach to Total Systems Performance Assessment for the License Application (TSPA-LA). The scope of this report is to describe the development and validation of the in-package chemistry model. The in-package model is a combination of two models, a batch reactor model that uses the EQ3/6 geochemistry-modeling tool, and a surface complexation model that is applied to the results of the batch reactor model. The batch reactor model considers chemical interactions of water with the waste package materials and the waste form for commercial spent nuclear fuel (CSNF) waste packages and codisposed waste packages that contain both high-level waste glass (HLWG) and DOE spent fuel. The surface complexation model includes the impact of fluid-surface interactions (i.e., surface complexation) on the resulting fluid composition. The model examines two types of water influx: (1) the condensation of water vapor that diffuses into the waste package, and (2) seepage water that enters the waste package from the drift as a liquid. (1) Vapor Influx Case: The condensation of vapor onto the waste package internals is simulated as pure H2O and enters at a rate determined by the water vapor pressure for representative temperature and relative humidity conditions. (2) Water Influx Case: The water entering a waste package from the drift is simulated as typical groundwater and enters at a rate determined by the amount of seepage available to flow through openings in a breached waste package. TSPA-LA uses the vapor influx case for the nominal scenario for simulations where the waste

  20. Collaborative Physical Chemistry Projects Involving Computational Chemistry (United States)

    Whisnant, David M.; Howe, Jerry J.; Lever, Lisa S.


    The physical chemistry classes from three colleges have collaborated on two computational chemistry projects using Quantum CAChe 3.0 and Gaussian 94W running on Pentium II PCs. Online communication by email and the World Wide Web was an important part of the collaboration. In the first project, students used molecular modeling to predict benzene derivatives that might be possible hair dyes. They used PM3 and ZINDO calculations to predict the electronic spectra of the molecules and tested the predicted spectra by comparing some with experimental measurements. They also did literature searches for real hair dyes and possible health effects. In the final phase of the project they proposed a synthetic pathway for one compound. In the second project the students were asked to predict which isomer of a small carbon cluster (C3, C4, or C5) was responsible for a series of IR lines observed in the spectrum of a carbon star. After preliminary PM3 calculations, they used ab initio calculations at the HF/6-31G(d) and MP2/6-31G(d) level to model the molecules and predict their vibrational frequencies and rotational constants. A comparison of the predictions with the experimental spectra suggested that the linear isomer of the C5 molecule was responsible for the lines.

  1. Reaction chemistry of cerium

    Energy Technology Data Exchange (ETDEWEB)



    It is truly ironic that a synthetic organic chemist likely has far greater knowledge of the reaction chemistry of cerium(IV) than an inorganic colleague. Cerium(IV) reagents have long since been employed as oxidants in effecting a wide variety of organic transformations. Conversely, prior to the late 1980s, the number of well characterized cerium(IV) complexes did not extend past a handful of known species. Though in many other areas, interest in the molecular chemistry of the 4f-elements has undergone an explosive growth over the last twenty years, the chemistry of cerium(IV) has for the most part been overlooked. This report describes reactions of cerium complexes and structure.

  2. Air Composition and Chemistry (United States)

    Brimblecombe, Peter


    This book is about the atmosphere and humanity's influence on it. For this new edition, Brimblecombe has rewritten and updated much of the book. In the early chapters, he discusses the geochemical, biological and maritime sources of the trace gases. Next, he examines the chemistry of atmospheric gases, suspended particles, and rainfall. After dealing with the natural atmosphere, he examines the sources of air pollution and its effects, with all scenarios updated from the last edition. Scenarios include decline in health, damage to plants and animals, indoor pollution, and acid rain. The final chapters, also revised, are concerned with the chemistry and evolution of the atmospheres of the planets of the solar system. Students with an interest in chemistry and the environmental sciences will find this book highly valuable.

  3. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G


    Mathematics for Physical Chemistry, Third Edition, is the ideal text for students and physical chemists who want to sharpen their mathematics skills. It can help prepare the reader for an undergraduate course, serve as a supplementary text for use during a course, or serve as a reference for graduate students and practicing chemists. The text concentrates on applications instead of theory, and, although the emphasis is on physical chemistry, it can also be useful in general chemistry courses. The Third Edition includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The first ten chapters are constructed around a sequence of mathematical topics, with a gradual progression into more advanced material. The final chapter discusses mathematical topics needed in the analysis of experimental data.* Numerous examples and problems interspersed throughout the presentations * Each extensive chapter contains a preview, objectives, and ...

  4. Spins in chemistry

    CERN Document Server

    McWeeny, Roy


    Originally delivered as a series of lectures, this volume systematically traces the evolution of the ""spin"" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of sp

  5. Solvent effects in chemistry

    CERN Document Server

    Buncel, Erwin


    This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds.  It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as ""green"" chemistry, where ut

  6. Chemistry WebBook (United States)

    SRD 69 NIST Chemistry WebBook (Web, free access)   The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.

  7. Dynamic Combinatorial Chemistry

    DEFF Research Database (Denmark)

    Lisbjerg, Micke

    This thesis is divided into seven chapters, which can all be read individually. The first chapter, however, contains a general introduction to the chemistry used in the remaining six chapters, and it is therefore recommended to read chapter one before reading the other chapters. Chapter 1...... is a general introductory chapter for the whole thesis. The history and concepts of dynamic combinatorial chemistry are described, as are some of the new and intriguing results recently obtained. Finally, the properties of a broad range of hexameric macrocycles are described in detail. Chapter 2 gives...

  8. Chemistry of Transactinides (United States)

    Kratz, J. V.

    In this chapter, the chemical properties of the man-made transactinide elements rutherfordium, Rf (element 104), dubnium, Db (element 105), seaborgium, Sg (element 106), bohrium, Bh (element 107), hassium, Hs (element 108), and copernicium, Cn (element 112) are reviewed, and prospects for chemical characterizations of even heavier elements are discussed. The experimental methods to perform rapid chemical separations on the time scale of seconds are presented and comments are given on the special situation with the transactinides where chemistry has to be studied with single atoms. It follows a description of theoretical predictions and selected experimental results on the chemistry of elements 104 through 108, and element 112.

  9. Chemistry in second life. (United States)

    Lang, Andrew S I D; Bradley, Jean-Claude


    This review will focus on the current level on chemistry research, education, and visualization possible within the multi-user virtual environment of Second Life. We discuss how Second Life has been used as a platform for the interactive and collaborative visualization of data from molecules and proteins to spectra and experimental data. We then review how these visualizations can be scripted for immersive educational activities and real-life collaborative research. We also discuss the benefits of the social networking affordances of Second Life for both chemists and chemistry students.

  10. The chemistry of silicon

    CERN Document Server

    Rochow, E G; Emeléus, H J; Nyholm, Ronald


    Pergamon Texts in Organic Chemistry, Volume 9: The Chemistry of Silicon presents information essential in understanding the chemical properties of silicon. The book first covers the fundamental aspects of silicon, such as its nuclear, physical, and chemical properties. The text also details the history of silicon, its occurrence and distribution, and applications. Next, the selection enumerates the compounds and complexes of silicon, along with organosilicon compounds. The text will be of great interest to chemists and chemical engineers. Other researchers working on research study involving s

  11. Atmospheric pseudohalogen chemistry


    Lary, D. J.


    There are at least three reasons why hydrogen cyanide is likely to be significant for atmospheric chemistry. The first is well known, HCN is a product and marker of biomass burning. However, if a detailed ion chemistry of lightning is considered then it is almost certain than in addition to lightning producing NOx, it also produces HOx and HCN. Unlike NOx and HOx, HCN is long-lived and could therefore ...

  12. Progress in physical chemistry

    CERN Document Server

    Hempelmann, Rolf


    Progress in Physical Chemistry is a collection of recent ""Review Articles"" published in the ""Zeitschrift für Physikalische Chemie"". The second volume of Progress in Physical Chemistry is a collection of thematically closely related minireview articles written by the members of the Collaborative Research Centre (SFB) 277 of the German Research Foundation (DFG). These articles are based on twelve years of intense coordinated research efforts. Central topics are the synthesis and the characterization of interface-dominated, i.e. nanostructured materials, mainly in the solid state but also as

  13. Chemistry in Second Life

    Directory of Open Access Journals (Sweden)

    Bradley Jean-Claude


    Full Text Available Abstract This review will focus on the current level on chemistry research, education, and visualization possible within the multi-user virtual environment of Second Life. We discuss how Second Life has been used as a platform for the interactive and collaborative visualization of data from molecules and proteins to spectra and experimental data. We then review how these visualizations can be scripted for immersive educational activities and real-life collaborative research. We also discuss the benefits of the social networking affordances of Second Life for both chemists and chemistry students.

  14. Chemistry in microelectronics

    CERN Document Server

    Le Tiec, Yannick


    Microelectronics is a complex world where many sciences need to collaborate to create nano-objects: we need expertise in electronics, microelectronics, physics, optics and mechanics also crossing into chemistry, electrochemistry, as well as biology, biochemistry and medicine. Chemistry is involved in many fields from materials, chemicals, gases, liquids or salts, the basics of reactions and equilibrium, to the optimized cleaning of surfaces and selective etching of specific layers. In addition, over recent decades, the size of the transistors has been drastically reduced while the functionalit

  15. Chemistry: Experiments, Demonstrations and Other Activities Suggested for Chemistry. (United States)

    New York State Education Dept., Albany. Bureau of Secondary Curriculum Development.

    This publication is a handbook used in conjunction with the course of study in chemistry developed through the New York State Education Department and The University of the State of New York. It contains experiments, demonstrations, and other activities for a chemistry course. Areas covered include the science of chemistry, the atomic structure of…

  16. Connected Chemistry--Incorporating Interactive Simulations into the Chemistry Classroom. (United States)

    Stieff, Mike; Wilensky, Uri


    Describes a novel modeling and simulation package and assesses its impact on students' understanding of chemistry. Connected Chemistry was implemented inside the NetLogo modeling environment. Using Connected Chemistry, students employed problem -solving techniques characterized by stronger attempts at conceptual understanding and logical…

  17. Myrrh--Commiphora chemistry. (United States)

    Hanus, Lumír O; Rezanka, Tomás; Dembitsky, Valery M; Moussaieff, Arieh


    Myrrh and opopanax has been used throughout history in incense and as a perfume. Since Bible times it has been used for the treatment of wounds. The first attempts to identify content compounds were almost 100 years ago. In this review we discuss the present state of knowledge in the chemistry of substances of Commiphora spp.

  18. Elements of Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 17; Issue 1. Elements of Chemistry. Antoine-Laurent Lavoisier. Classics Volume 17 Issue 1 January 2012 pp 92-100. Fulltext. Click here to view fulltext PDF. Permanent link: Author Affiliations.

  19. Chemistry and Heritage (United States)

    Vittoria Barbarulo, Maria


    Chemistry is the central science, as it touches every aspect of the society we live in and it is intertwined with many aspects of our culture; in particular, the strong link between Chemistry and Archaeology and Art History is being explored, offering a penetrating insight into an area of growing interest from an educational point of view. A series of vital and vibrant examples (i.e., ancient bronzes composition, colour changes due to natural pigment decomposition, marble degradation) has been proposed, on one hand, to improve student understanding of the relationship between cultural and scientific issues arising from the examination, the conservation, and the maintenance of cultural Heritage, on the other, to illustrate the role of the underlying Chemistry. In some case studies, a survey of the most relevant atmospheric factors, which are involved in the deterioration mechanisms, has also been presented to the students. First-hand laboratory experiences have been providing an invaluable means of discovering the full and varied world of Chemistry. Furthermore, the promotion of an interdisciplinary investigation of a famous painting or fresco, involving the study of its nature and significance, the definition of its historical context, any related literature, the chemical knowledge of the materials used, may be an excellent occasion to experiment the Content and Language Integrated Learning (CLIL). The aim of this approach is to convey the important message that everyone has the responsibility to care for and preserve Heritage for the benefit of present and future generations.

  20. Concept of Green Chemistry

    Indian Academy of Sciences (India)


    Chemistry has provided valuable materials in the form of medi- cines, food products, cosmetics, dyes, paints, agrochemicals, biomolecules, high-tech substances like polymers, liquid crystals and nanoparticles. Chemists have used their knowledge and skill to prepare a large number of new materials which are far better.

  1. Chemistry at the Nanoscale

    Indian Academy of Sciences (India)

    Program, School of Medicine and Dentistry, University of. Rochester, New York. His research interests are in studying the structure, function, interaction and the chemistry of biomolecules as well as their assemblies and networks. Ram Ramaswamy teaches in the Schools of Physical. Sciences (SPS) and. Computational and.

  2. Chemistry in the Troposphere. (United States)

    Chameides, William L.; Davis, Douglas D.


    Topics addressed in this review of chemistry in the troposphere (layer of atmosphere extending from earth's surface to altitude of 10-16km) include: solar radiation/winds; earth/atmosphere interface; kinetic studies of atmospheric reactions; tropospheric free-radical photochemistry; instruments for nitric oxide detection; sampling…

  3. News: Green Chemistry & Technology (United States)

    A series of 21 articles focused on different features of green chemistry in a recent issue of Chemical Reviews. Topics extended over a wide range to include the design of sustainable synthetic processes to biocatalysis. A selection of perspectives follows as part of this colu

  4. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    For an excellent summary of the field of supramolecular chemistry, readers are referred to the article by J-M Lehn in Resonance, VaLl,. No.3, p.39, 1996. Electrostatics plays an important role in weak intermolecular interactions. The present series is aimed at understanding these electrostatic aspects. This article presents the.

  5. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    Electrostatics in Chemistry. 3. Molecular Electrostatic Potential: Visualization and Topography. Shridhar R Gadre and Pravin K Bhadane. 1 1. Basic Principles, Resona- nce, Vol.4, No.2, 11-19, 1999. 2. Electrostatic Potentials of. Atoms, Ions and Molecules,. Resonance, Vol.4, No.5, 40-51,. 1999. Topographical features of the ...

  6. The Chemistry of Griseofulvin

    DEFF Research Database (Denmark)

    Petersen, Asger Bjørn; Rønnest, Mads Holger; Larsen, Thomas Ostenfeld


    Specific synthetic routes are presented in schemes to illustrate the chemistry, and the analogs are presented in a table format to give an accessible overview of the structures. Several patents have been published regarding the properties of griseofulvin and its derivatives including synthesis...

  7. Tunnelling Effects in Chemistry

    Indian Academy of Sciences (India)

    IAS Admin

    Tunnelling Effects in Chemistry. Molecules in the Strange Quantum World. Sharmistha Karmakar, Deepthi Jose and Ayan Datta. (left) Sharmistha Karmakar is doing her PhD in the group of. Ayan Datta, IACS,. Kolkata. Her research interests are modelling molecules with strong optical absorbtion and emission properties.

  8. Analytical Chemistry Laboratory (United States)

    Anderson, Mark


    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.

  9. Forensic Chemistry Training

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK


    Full Text Available Increasing the types of terrorism and crime nowadays, the importance of the forensic sciences can be bett er understood. Forensic science is the application of the wide spectrum of science to answer the question of legal system. It contains the application of the principles, techniques and methods of basic sciences and its main aim is the determination of the physical facts which are important in legal situations. Forensic chemistry is the branch of chemistry which performs the chemical analysis of evidences that used in the courts. Forensic chemist is the professional chemist who analyzes the evidences from crime scene and reaches a result by application of tests. Th us, they have to have a special education. In forensic laboratories candidates who have chemistry/biochemistry undergraduate degree and took biology and forensic chemistry lectures are preferred. It is necessary to design graduate and undergraduate education to train a forensic chemist. Science education should be at the core of the undergraduate education. In addition to this strong laboratory education on both science and forensic science should be given. Th e graduate program of forensic science example should contain forensic science subjects, strong academic lectures on special subjects and research and laboratory components.

  10. Chemistry: The Middle Kingdom

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 12; Issue 7. Chemistry: The Middle Kingdom. Gautam R Desiraju. General Article Volume 12 Issue 7 July 2007 pp 44-60. Fulltext. Click here to view fulltext PDF. Permanent link: Keywords.

  11. Symmetry in chemistry

    CERN Document Server

    Jaffé, Hans H


    This book, devoted exclusively to symmetry in chemistry and developed in an essentially nonmathematical way, is a must for students and researchers. Topics include symmetry elements and operations, multiple symmetry operations, multiplication tables and point groups, group theory applications, and crystal symmetry. Extensive appendices provide useful tables.

  12. Array processors in chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Ostlund, N.S.


    The field of attached scientific processors (''array processors'') is surveyed, and an attempt is made to indicate their present and possible future use in computational chemistry. The current commercial products from Floating Point Systems, Inc., Datawest Corporation, and CSP, Inc. are discussed.

  13. Teaching Chemistry. through Riddles

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 9; Issue 7. Teaching Chemistry through Riddles. Mala Das Sharma. Classroom Volume 9 Issue 7 July 2004 pp 74-76. Fulltext. Click here to view fulltext PDF. Permanent link: Author Affiliations.

  14. Tunnelling Effects in Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 2. Tunnelling Effects in Chemistry: Molecules in the Strange Quantum World. Sharmistha Karmakar Deepthi Jose Ayan Datta. General Article Volume 19 Issue 2 February 2014 pp 160-174 ...

  15. Chemistry in a Nutshell. (United States)

    Rupnow, John; And Others


    Presents an activity that involves making peanut butter in the laboratory as a way to teach students the chemistry concepts of emulsification, solubility, and formulation. Enables students to realize that they can actually create or modify the physical and sensory characteristics of peanut butter and taste the differences in their work. (JRH)

  16. Nobel Prize in Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 9; Issue 4. Nobel Prize in Chemistry – 2003 The Gateway for Perfect Health. S M Srideshikan S K Srivatsa. General Article Volume 9 Issue 4 April 2004 pp 61-70. Fulltext. Click here to view fulltext PDF. Permanent link:

  17. Chemistry of Materials

    Indian Academy of Sciences (India)

    solid materials particularly metal oxides of various kinds. Then started intense activity in other classes of materials, including organics. It is no surprise that in the last few years, the two main streams of chemistry are directed towards biology and advanced materials. It is also not difficult to understand why chemists are getting ...

  18. Arrows in Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 1. Arrows in Chemistry. Abirami Lakshminarayanan. General Article Volume 15 Issue 1 January 2010 pp 51-63. Fulltext. Click here to view fulltext PDF. Permanent link: Keywords. Arrows ...

  19. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 4; Issue 2. Electrostatics in Chemistry - Basic Principles. Shridhar R Gadre Pravin K Bhadane. Series Article Volume 4 Issue 2 February 1999 pp 8-19. Fulltext. Click here to view fulltext PDF. Permanent link:

  20. Chemistry: The Middle Kingdom

    Indian Academy of Sciences (India)


    Feb 10, 2005 ... Chemistry occupies a unique middle position between physics and mathematics on the one side and biology, .... The late nineteenth century saw the zenith of the industrial revolution, the emergence of capitalism and colo- .... of the processes occurring in living systems. Chemists were slow to recognize the ...

  1. Supramolecular analytical chemistry. (United States)

    Anslyn, Eric V


    A large fraction of the field of supramolecular chemistry has focused in previous decades upon the study and use of synthetic receptors as a means of mimicking natural receptors. Recently, the demand for synthetic receptors is rapidly increasing within the analytical sciences. These classes of receptors are finding uses in simple indicator chemistry, cellular imaging, and enantiomeric excess analysis, while also being involved in various truly practical assays of bodily fluids. Moreover, one of the most promising areas for the use of synthetic receptors is in the arena of differential sensing. Although many synthetic receptors have been shown to yield exquisite selectivities, in general, this class of receptor suffers from cross-reactivities. Yet, cross-reactivity is an attribute that is crucial to the success of differential sensing schemes. Therefore, both selective and nonselective synthetic receptors are finding uses in analytical applications. Hence, a field of chemistry that herein is entitled "Supramolecular Analytical Chemistry" is emerging, and is predicted to undergo increasingly rapid growth in the near future.

  2. Colour chemistry in water


    Cardona, Maria


    Atmospheric carbon dioxide (CO2) levels have increased dramatically in the last few decades. Famous for causing global warming, CO2 is also resulting in the acidification of seas and oceans.

  3. Amphoteric Aqueous Hafnium Cluster Chemistry. (United States)

    Goberna-Ferrón, Sara; Park, Deok-Hie; Amador, Jenn M; Keszler, Douglas A; Nyman, May


    Selective dissolution of hafnium-peroxo-sulfate films in aqueous tetramethylammonium hydroxide enables extreme UV lithographic patterning of sub-10 nm HfO2 structures. Hafnium speciation under these basic conditions (pH>10), however, is unknown, as studies of hafnium aqueous chemistry have been limited to acid. Here, we report synthesis, crystal growth, and structural characterization of the first polynuclear hydroxo hafnium cluster isolated from base, [TMA]6 [Hf6 (μ-O2 )6 (μ-OH)6 (OH)12 ]⋅38 H2 O. The solution behavior of the cluster, including supramolecular assembly via hydrogen bonding is detailed via small-angle X-ray scattering (SAXS) and electrospray ionization mass spectrometry (ESI-MS). The study opens a new chapter in the aqueous chemistry of hafnium, exemplifying the concept of amphoteric clusters and informing a critical process in single-digit-nm lithography. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. African mistletoes (loranthaceae); ethnopharmacology, chemistry ...

    African Journals Online (AJOL)

    African mistletoes (loranthaceae); ethnopharmacology, chemistry and medicinal values: An update. ... little is known about their biology (taxonomy, host/plant relationship, ecology, toxicology, physiological characteristics, etc.) and chemistry (chemical constituents' profile). Some pharmacological studies carried out on the ...

  5. Polymer Chemistry in High School. (United States)

    Stucki, Roger


    Discusses why polymer chemistry should be added to the general chemistry curriculum and what topics are appropriate (listing traditional with related polymer topics). Also discusses when and how these topics should be taught. (JN)

  6. Mathematical problems for chemistry students

    CERN Document Server

    Pota, Gyorgy


    Mathematical Problems for Chemistry Students has been compiled and written (a) to help chemistrystudents in their mathematical studies by providing them with mathematical problems really occurring in chemistry (b) to help practising chemists to activate their applied mathematical skills and (c) to introduce students and specialistsof the chemistry-related fields (physicists, mathematicians, biologists, etc.) intothe world of the chemical applications.Some problems of the collection are mathematical reformulations of those in the standard textbooks of chemistry, others we

  7. Aqueous Solution Chemistry of Plutonium

    Energy Technology Data Exchange (ETDEWEB)

    Clark, David L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)


    Things I have learned working with plutonium: Chemistry of plutonium is complex; Redox equilibria make Pu solution chemistry particularly challenging in the absence of complexing ligands; Understanding this behavior is key to successful Pu chemistry experiments; There is no suitable chemical analog for plutonium.

  8. Six Pillars of Organic Chemistry (United States)

    Mullins, Joseph J.


    This article describes an approach to teaching organic chemistry, which is to have students build their knowledge of organic chemistry upon a strong foundation of the fundamental concepts of the subject. Specifically, the article focuses upon a core set of concepts that I call "the six pillars of organic chemistry": electronegativity, polar…


    African Journals Online (AJOL)


    Education in Chemistry (U.K.). • African Journal of Chemical Education (Ethiopia). • Educacion Quimica (Mexico). A list of books on the field is given in the appendix of this paper. WHERE DID IT START AND WHERE IS IT BEING USED? The adoption of Microscale Chemistry for the teaching of Chemistry in Africa and Asia is.

  10. Division of Analytical Chemistry, 1998

    DEFF Research Database (Denmark)

    Hansen, Elo Harald


    The article recounts the 1998 activities of the Division of Analytical Chemistry (DAC- formerly the Working Party on Analytical Chemistry, WPAC), which body is a division of the Federation of European Chemical Societies (FECS). Elo Harald Hansen is the Danish delegate, representing The Danish...... Chemical Society/The Society for Analytical Chemistry....

  11. Modeling local chemistry in PWR steam generator crevices

    Energy Technology Data Exchange (ETDEWEB)

    Millett, P.J. [EPRI, Palo Alto, CA (United States)


    Over the past two decades steam generator corrosion damage has been a major cost impact to PWR owners. Crevices and occluded regions create thermal-hydraulic conditions where aggressive impurities can become highly concentrated, promoting localized corrosion of the tubing and support structure materials. The type of corrosion varies depending on the local conditions, with stress corrosion cracking being the phenomenon of most current concern. A major goal of the EPRI research in this area has been to develop models of the concentration process and resulting crevice chemistry conditions. These models may then be used to predict crevice chemistry based on knowledge of bulk chemistry, thereby allowing the operator to control corrosion damage. Rigorous deterministic models have not yet been developed; however, empirical approaches have shown promise and are reflected in current versions of the industry-developed secondary water chemistry guidelines.

  12. Mukilteo water sensor time series - Field work coupling measurements of carbon chemistry and distribution of free-living organisms (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — To estimate the carbon chemistry conditions experienced by free-living organisms, we will conduct coupled biological/carbon chemistry sampling for key zooplankton...

  13. Scientific Information Analysis of Chemistry Dissertations Using Thesaurus of Chemistry

    Directory of Open Access Journals (Sweden)

    Taghi Rajabi


    Full Text Available : Concept maps of chemistry can be obtained from thesaurus of chemistry. Analysis of information in the field of chemistry is done at graduate level, based on comparing and analyzing chemistry dissertations by using these maps. Therefore, the use of thesaurus for analyzing scientific information is recommended. Major advantage of using this method, is that it is possible to obtain a detailed map of all academic researches across all branches of science. The researches analysis results in chemical science can play a key role in developing strategic research policies, educational programming, linking universities to industries and postgraduate educational programming. This paper will first introduce the concept maps of chemistry. Then, emerging patterns from the concept maps of chemistry will be used to analyze the trend in the academic dissertations in chemistry, using the data collected and stored in our database at Iranian Research Institute for Information Science and Technology (IranDoc over the past 10 years (1998-2009.

  14. Towards "Bildung"-Oriented Chemistry Education (United States)

    Sjöström, Jesper


    This paper concerns "Bildung"-oriented chemistry education, based on a reflective and critical discourse of chemistry. It is contrasted with the dominant type of chemistry education, based on the mainstream discourse of chemistry. "Bildung"-oriented chemistry education includes not only content knowledge in chemistry, but also…

  15. Chemistry of naphthalene diimides. (United States)

    Bhosale, Sheshanath V; Jani, Chintan H; Langford, Steven J


    This tutorial review surveys recent developments in the chemistry of naphthalene diimides (NDIs) and explores their application in the fields of material and supramolecular science. It begins with a discussion of their general uses, methods of syntheses and their electronic and spectroscopic properties. Of interest to their application in the fields of conducting thin films and molecular sensors is the structure-function relationships that exist either as co-components of supramolecular ensembles as in the case of "nanotubes", or as the sole components in molecular wires. Also discussed are advances in NDI research within the areas of energy and electron transfer (covalent and non-covalent systems) and in host-guest chemistry including foldamer, mechanically-interlocked and ligand-gated ion channel examples. Finally, we explore the developments in the recent field of core-substituted NDIs, their photophysical properties and applications in artificial photosynthesis. We conclude with our views on the prospects of NDIs for future research endeavours.

  16. Organic Chemistry in Space (United States)

    Charnley, Steven


    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.

  17. Chemistry and Art. (United States)

    Lipscher, Juraj


    This review summarizes possibilities of including scientific methods for investigation of art objects into the secondary school chemistry curriculum. We discuss methods such as X-ray radiography, infrared reflectography, neutron activation autoradiography, X-ray fluorescence, and Raman spectroscopy and provide recent examples of their use. The results obtained, especially when combined with modern digital image processing algorithms, are indeed impressive. The second part of the paper is devoted to suggestions for actual use in teaching. The activities in the classroom can be centered around scientific investigation of a single painting, properties and use of a single pigment, or utilizing parallels in the history of Chemistry and history of Art. Finally, scientific methods for detecting art fraud including actual historical examples are especially motivating for the students and various teaching activities can be designed around this aspect.

  18. Chemistry space–time

    Directory of Open Access Journals (Sweden)

    David A. Winkler


    Full Text Available As Einstein identified so clearly, space and time are intimately related. We discuss the relationship between time and Euclidean space using spectroscopic and radioastronomical studies of interstellar chemistry as an example. Given the finite speed of light, we are clearly studying chemical reactions occurring tens of thousands of years ago that may elucidate the primordial chemistry of this planet several billion years ago. We also explore space of a different kind – chemical space, with many more dimensions than the four we associate as space–time. Vast chemical spaces also need very efficient (computational methods for their exploration to overcome this ‘curse of dimensionality’. We discuss methods by which the time to explore these new spaces can be very substantially reduced, opening the discovery useful new materials that are the key to our future.

  19. Bubble and foam chemistry

    CERN Document Server

    Pugh, Robert J


    This indispensable guide will equip the reader with a thorough understanding of the field of foaming chemistry. Assuming only basic theoretical background knowledge, the book provides a straightforward introduction to the principles and properties of foams and foaming surfactants. It discusses the key ideas that underpin why foaming occurs, how it can be avoided and how different degrees of antifoaming can be achieved, and covers the latest test methods, including laboratory and industrial developed techniques. Detailing a variety of different kinds of foams, from wet detergents and food foams, to polymeric, material and metal foams, it connects theory to real-world applications and recent developments in foam research. Combining academic and industrial viewpoints, this book is the definitive stand-alone resource for researchers, students and industrialists working on foam technology, colloidal systems in the field of chemical engineering, fluid mechanics, physical chemistry, and applied physics.

  20. Carbohydrates in Supramolecular Chemistry. (United States)

    Delbianco, Martina; Bharate, Priya; Varela-Aramburu, Silvia; Seeberger, Peter H


    Carbohydrates are involved in a variety of biological processes. The ability of sugars to form a large number of hydrogen bonds has made them important components for supramolecular chemistry. We discuss recent advances in the use of carbohydrates in supramolecular chemistry and reveal that carbohydrates are useful building blocks for the stabilization of complex architectures. Systems are presented according to the scaffold that supports the glyco-conjugate: organic macrocycles, dendrimers, nanomaterials, and polymers are considered. Glyco-conjugates can form host-guest complexes, and can self-assemble by using carbohydrate-carbohydrate interactions and other weak interactions such as π-π interactions. Finally, complex supramolecular architectures based on carbohydrate-protein interactions are discussed.

  1. Quo vadis, analytical chemistry? (United States)

    Valcárcel, Miguel


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

  2. Quantum mechanics in chemistry

    CERN Document Server

    Schatz, George C


    Intended for graduate and advanced undergraduate students, this text explores quantum mechanical techniques from the viewpoint of chemistry and materials science. Dynamics, symmetry, and formalism are emphasized. An initial review of basic concepts from introductory quantum mechanics is followed by chapters examining symmetry, rotations, and angular momentum addition. Chapter 4 introduces the basic formalism of time-dependent quantum mechanics, emphasizing time-dependent perturbation theory and Fermi's golden rule. Chapter 5 sees this formalism applied to the interaction of radiation and matt

  3. Green chemistry: development trajectory (United States)

    Moiseev, I. I.


    Examples of applications of green chemistry methods in heavy organic synthesis are analyzed. Compounds, which can be produced by the processing of the biomass, and the criteria for the selection of the most promising products are summarized. The current status of the ethanol production and processing is considered. The possibilities of the use of high fatty acid triglycerides, glycerol, succinic acid, and isoprene are briefly discussed. The bibliography includes 67 references.

  4. Genetic algorithm in chemistry.


    da Costa, PA; Poppi, RJ


    Genetic algorithm is an optimization technique based on Darwin evolution theory. In last years its application in chemistry is increasing significantly due the special characteristics for optimization of complex systems. The basic principles and some further modifications implemented to improve its performance are presented, as well as a historical development. A numerical example of a function optimization is also shown to demonstrate how the algorithm works in an optimization process. Final...

  5. Analytical Chemistry in Russia. (United States)

    Zolotov, Yuri


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

  6. Chemistry of superheavy elements

    Energy Technology Data Exchange (ETDEWEB)

    Schaedel, M. [Japan Atomic Energy Agency, Tokai, Ibaraki (Japan). Advanced Science Research Center; GSI Helmholtz Center for Heavy Ion Research, Darmstadt (Germany)


    The chemistry of superheavy elements - or transactinides from their position in the Periodic Table - is summarized. After giving an overview over historical developments, nuclear aspects about synthesis of neutron-rich isotopes of these elements, produced in hot-fusion reactions, and their nuclear decay properties are briefly mentioned. Specific requirements to cope with the one-atom-at-a-time situation in automated chemical separations and recent developments in aqueous-phase and gas-phase chemistry are presented. Exciting, current developments, first applications, and future prospects of chemical separations behind physical recoil separators ('pre-separator') are discussed in detail. The status of our current knowledge about the chemistry of rutherfordium (Rf, element 104), dubnium (Db, element 105), seaborgium (Sg, element 106), bohrium (Bh, element 107), hassium (Hs, element 108), copernicium (Cn, element 112), and element 114 is discussed from an experimental point of view. Recent results are emphasized and compared with empirical extrapolations and with fully-relativistic theoretical calculations, especially also under the aspect of the architecture of the Periodic Table. (orig.)

  7. Coupled Atmospheric Chemistry Schemes for Modeling Regional and Global Atmospheric Chemistry (United States)

    Saunders, E.; Stockwell, W. R.


    Atmospheric chemistry models require chemical reaction mechanisms to simulate the production of air pollution. GACM (Global Atmospheric Chemistry Mechanism) is intended for use in global scale atmospheric chemistry models to provide chemical boundary conditions for regional scale simulations by models such as CMAQ. GACM includes additional chemistry for marine environments while reducing its treatment of the chemistry needed for highly polluted urban regions. This keeps GACM's size small enough to allow it to be used efficiently in global models. GACM's chemistry of volatile organic compounds (VOC) is highly compatible with the VOC chemistry in RACM2 allowing a global model with GACM to provide VOC boundary conditions to a regional scale model with RACM2 with reduced error. The GACM-RACM2 system of mechanisms should yield more accurate forecasts by regional air quality models such as CMAQ. Chemical box models coupled with the regional and global atmospheric chemistry mechanisms (RACM2 & GACM) will be used to make simulations of tropospheric ozone, nitric oxides, and volatile organic compounds that are produced in regional and global domains. The simulations will focus on the Los Angeles' South Coast Air Basin (SoCAB) where the Pacific Ocean meets a highly polluted urban area. These two mechanisms will be compared on the basis of simulated ozone concentrations over this marine-urban region. Simulations made with the more established RACM2 will be compared with simulations made with the newer GACM. In addition WRF-Chem will be used to simulate how RACM2 will produce regional simulations of tropospheric ozone and NOx, which can be further, analyzed for air quality impacts. Both the regional and global model in WRF-Chem will be used to predict how the concentrations of ozone and nitrogen oxides change over land and ocean. The air quality model simulation results will be applied to EPA's BenMAP-CE (Environmental Benefits Mapping & Analysis Program-Community Edition

  8. Bioorthogonal Chemistry-Introduction and Overview. (United States)

    Carell, Thomas; Vrabel, Milan


    Bioorthogonal chemistry has emerged as a new powerful tool that facilitates the study of structure and function of biomolecules in their native environment. A wide variety of bioorthogonal reactions that can proceed selectively and efficiently under physiologically relevant conditions are now available. The common features of these chemical reactions include: fast kinetics, tolerance to aqueous environment, high selectivity and compatibility with naturally occurring functional groups. The design and development of new chemical transformations in this direction is an important step to meet the growing demands of chemical biology. This chapter aims to introduce the reader to the field by providing an overview on general principles and strategies used in bioorthogonal chemistry. Special emphasis is given to cycloaddition reactions, namely to 1,3-dipolar cycloadditions and Diels-Alder reactions, as chemical transformations that play a predominant role in modern bioconjugation chemistry. The recent advances have established these reactions as an invaluable tool in modern bioorthogonal chemistry. The key aspects of the methodology as well as future outlooks in the field are discussed.

  9. Extraterrestrial Radiation Chemistry and Molecular Astronomy (United States)

    Hudson, Reggie L.; Moore, Marla H.


    Astronomical observations of both solar system and interstellar regions have revealed a rich chemical inventory that includes most classes of organic molecules and selected inorganics. For example, gas-phase ethylene glycol and SOz have been observed by astronomers, while solidphase detections include OCS, H2O2 , and the cyanate anion.' All of these are found in environments that are, by earthly standards, exceedingly hostile: temperatures of 10 - 100 K, miniscule densities, and near-ubiquitous ionizing-radiation fields. Beyond the simplest chemical species, these conditions have made it difficult-to-impassible to account for the observed molecular abundances using gas-phase chemistry, suggesting solid-phase reactions play an important role. In extraterrestrial environments, cosmic rays, UV photons, and magnetospheric radiation all drive chemical reactions, even at cryogenic temperatures. To study this chemistry, radiation astrochemists conduct experiments on icy materials, frozen under vacuum and exposed to sources such as keV electrons and MeV protons. Compositional changes usually are followed with IR spectroscopy and, in selected cases, more-sensitive mass-spectral techniques. This talk will review some recent results on known and suspected extraterrestrial molecules and ions. Spectra and reaction pathways will be presented, and predictions made for interstellar chemistry and the chemistry of selected solar system objects. Some past radiation-chemical contributions, and future needs, will be explored.

  10. Spotlight on medicinal chemistry education. (United States)

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


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

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


    Marek Tobiszewski; Mariusz Marć; Agnieszka Gałuszka; Jacek Namieśnik


    The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-establis...

  12. Physical chemistry II essentials

    CERN Document Server

    REA, The Editors of


    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Physical Chemistry II includes reaction mechanisms, theoretical approaches to chemical kinetics, gravitational work, electrical and magnetic work, surface work, kinetic theory, collisional and transport properties of gases, statistical mechanics, matter and waves, quantum mechanics, and rotations and vibrations of atoms and molecules.

  13. Chemistry in aircraft plumes

    Energy Technology Data Exchange (ETDEWEB)

    Kraabol, A.G.; Stordal, F.; Knudsen, S. [Norwegian Inst. for Air Research, Kjeller (Norway); Konopka, P. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Physik der Atmosphaere


    An expanding plume model with chemistry has been used to study the chemical conversion of NO{sub x} to reservoir species in aircraft plumes. The heterogeneous conversion of N{sub 2}O{sub 5} to HNO{sub 3}(s) has been investigated when the emissions take place during night-time. The plume from an B747 has been simulated. During a ten-hour calculation the most important reservoir species was HNO{sub 3} for emissions at noon. The heterogeneous reactions had little impact on the chemical loss of NO{sub x} to reservoir species for emissions at night. (author) 4 refs.

  14. Chemistry and Science Fiction (United States)

    Stocker, Jack H.


    This lively collection looks at science as filtered through literature, film, and television. It discusses classic works in science fiction and provides an in-depth look at the chemistry depicted in popular culture, particularly in Start Trek , Star Wars , and Doctor Who . It includes an examination by Nebula Award winner Connie Willis of how science fiction authors use science, and reprints two tongue-in-cheek short stories by Isaac Asimov. The book also includes suggestions for using science fiction as an educational resource.

  15. Introduction to Coordination Chemistry

    CERN Document Server

    Lawrance, Geoffrey Alan


    Introduction to Coordination Chemistry examines and explains how metals and molecules that bind as ligands interact, and the consequences of this assembly process. This book describes the chemical and physical properties and behavior of the complex assemblies that form, and applications that may arise as a result of these properties. Coordination complexes are an important but often hidden part of our world?even part of us?and what they do is probed in this book. This book distills the essence of this topic for undergraduate students and for research scientists.

  16. Principles of quantum chemistry

    CERN Document Server

    George, David V


    Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems.This book describes chemical bonding and its two specific problems - bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum c

  17. Radiochemistry and nuclear chemistry

    CERN Document Server

    Choppin, Gregory; RYDBERG, JAN; Ekberg, Christian


    Radiochemistry or nuclear chemistry is the study of radiation from an atomic and molecular perspective, including elemental transformation and reaction effects, as well as physical, health and medical properties. This revised edition of one of the earliest and best-known books on the subject has been updated to bring into teaching the latest developments in research and the current hot topics in the field. To further enhance the functionality of this text, the authors have added numerous teaching aids, examples in MathCAD with variable quantities and options, hotlinks to relevant text secti

  18. Quantum chemistry an introduction

    CERN Document Server

    Kauzmann, Walter


    Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics.Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey

  19. Nuclear Chemistry and Services

    Energy Technology Data Exchange (ETDEWEB)

    Vandevelde, L


    The objectives, the programme, and the achievements of R and D at the Belgian Nuclear Research Centre SCK-CEN in the field of nuclear chemistry and analytical techniques are summarized. Major achievement in 2001 included the completion of a project on the measurement of critical radionuclides in reactor waste fluxes (the ARIANE project), the radiochemical characterisation of beryllium material originating from the second matrix of the BR2 reactor as well as to a the organisation of a workshop on the analysis of thorium and its isotopes in workplace materials.

  20. Advances in Phosphasilene Chemistry. (United States)

    Nesterov, Vitaly; Breit, Nora C; Inoue, Shigeyoshi


    Heavier alkene analogues possess unique electronic properties and reactivity, encouraging multidisciplinary research groups to utilize them in the rational design of novel classes of compounds and materials. Phosphasilenes are heavier imine analogues, containing highly reactive Si=P double bonds. Recent achievements in this field are closely related to the progress in the chemistry of stable low-coordinate silicon compounds. In this Review, we have attempted to summarize in a comprehensive way the available data on the structures, syntheses, electronic and chemical properties of these compounds, with an emphasis on recent achievements. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Analytical chemistry in space

    CERN Document Server

    Wainerdi, Richard E


    Analytical Chemistry in Space presents an analysis of the chemical constitution of space, particularly the particles in the solar wind, of the planetary atmospheres, and the surfaces of the moon and planets. Topics range from space engineering considerations to solar system atmospheres and recovered extraterrestrial materials. Mass spectroscopy in space exploration is also discussed, along with lunar and planetary surface analysis using neutron inelastic scattering. This book is comprised of seven chapters and opens with a discussion on the possibilities for exploration of the solar system by


    Energy Technology Data Exchange (ETDEWEB)

    Authors, Various


    Papers are presented for the following topics: (1) Nuclear Structure and Nuclear Properties - (a) Nuclear Spectroscopy and Radioactivity; (b) Nuclear Reactions and Scattering; (c) Nuclear Theory; and (d) Fission. (2) Chemical and Atomic Physics - (a) Atomic and Molecular Spectroscopy; and (b) Hyperfine Interactions. (3) Physical, Inorganic, and Analytical Chemistry - (a) X-Ray Crystallography; (b) Physical and Inorganic Chemistry; (c) Radiation Chemistry; and (d) Chemical Engineering. (4) Instrumentation and Systems Development.

  3. Biginelli and Mannich multicomponent reactions in the undergraduate organic chemistry laboratory: a didactic approach to green chemistry principles


    Marcelo Volpatto Marques; Tula Beck Bisol; Marcus Mandolesi Sá


    The introduction of Mannich and Biginelli multicomponent reactions in a practical Organic Chemistry course is presented in this article. Procedures described in the literature were adapted for use under the simple conditions available in undergraduate laboratories and were selected on the basis of Green Chemistry principles and practicality of synthesis. The reactions are easy to carry out and all products are readily isolated as crystalline solids with yields ranging from moderate to high.

  4. The physical basis of chemistry

    CERN Document Server

    Warren, Warren S


    If the text you're using for general chemistry seems to lack sufficient mathematics and physics in its presentation of classical mechanics, molecular structure, and statistics, this complementary science series title may be just what you're looking for. Written for the advanced lower-division undergraduate chemistry course, The Physical Basis of Chemistry, Second Edition, offers students an opportunity to understand and enrich the understanding of physical chemistry with some quantum mechanics, the Boltzmann distribution, and spectroscopy. Posed and answered are questions concerning eve

  5. Podcasts in the Chemistry Teaching

    Directory of Open Access Journals (Sweden)

    Bruno Silva Leite


    Full Text Available Information and Communication Technologies (ICT provide facilities in teaching through education. There are many new tools and methodologies that use ICT as a knowledge-building support, but that are not always related to pedagogical practice. The Podcast is an important technology that can be used in the classroom. Using this tool, it can make the most interactive chemistry class, fleeing the classroom routine. However, it is necessary to point out that the podcast is just one feature that should be incorporated into education and not a substitute. This paper describes the development of Chemistry Podcasts by teachers and chemistry students in three disciplines in 2015. This study took place over a one-year period in a public University, in Pernambuco, Brazil. In the discipline of "Computer applied to the teaching of chemistry" participated 21 Chemistry teachers. In the disciplines of "Information and Communication Technologies in the teaching of chemistry" and "Informatics, Chemistry and Education" was composed of 54 undergraduate students in chemistry. Twelve podcasts were elaborated by students and five by teachers in this paper we present only nine. The results showed the contribution of podcasts produced by teachers and students in teaching and learning process chemistry. DOI:

  6. Green Chemistry for Chemical Synthesis

    National Research Council Canada - National Science Library

    Chao-Jun Li; Barry M. Trost


    Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize...

  7. Information theory in analytical chemistry

    National Research Council Canada - National Science Library

    Eckschlager, Karel; Danzer, Klaus


    Contents: The aim of analytical chemistry - Basic concepts of information theory - Identification of components - Qualitative analysis - Quantitative analysis - Multicomponent analysis - Optimum analytical...

  8. Solid state chemistry an introduction

    CERN Document Server

    Smart, Lesley E


    ""Smart and Moore are engaging writers, providing clear explanations for concepts in solid-state chemistry from the atomic/molecular perspective. The fourth edition is a welcome addition to my bookshelves. … What I like most about Solid State Chemistry is that it gives simple clear descriptions for a large number of interesting materials and correspondingly clear explanations of their applications. Solid State Chemistry could be used for a solid state textbook at the third or fourth year undergraduate level, especially for chemistry programs. It is also a useful resource for beginning graduate

  9. Particle Reduction Strategies - PAREST. Influence of the boundary conditions from the global chemistry transport model TM5 on the regional aerosol chemistry transport model REM CALGRID; Strategien zur Verminderung der Feinstaubbelastung - PAREST. Einfluss der Randbedingungen aus dem globalen Chemie-Transport-Modell TM5 auf das regionale Aerosol-Chemie-Transport-Modell REM-CALGRID. Teilbericht

    Energy Technology Data Exchange (ETDEWEB)

    Kerschbaumer, Andreas; Hannig, Katrin [Freie Univ. Berlin (Germany). Inst. fuer Meteorologie, Troposphaerische Umweltforschung


    In this report the coupling of a global model is presented with a continental model. It examines how far the forecasts of regional air quality in Europe are affected by the choice of boundary conditions. The focus of this report is to analyze the influence of different boundary conditions on the calculated soil concentrations of ozone and PM10. A model evaluation, however, was not the aim of this study. [German] In diesem Bericht wird die Koppelung eines Globalmodells mit einem kontinentalen Modell vorgestellt. Es wird untersucht, wie weit die Prognosen der regionalen Luftqualitaet in Europa von der Wahl der Randbedingungen beeinflusst werden. Der Schwerpunkt des vorliegenden Berichts liegt in der Analyse des Einflusses der verschiedenen Randbedingungen auf die berechneten Bodenkonzentrationen von Ozon und PM10. Eine Modellevaluierung hingegen war nicht Ziel dieser Studie.

  10. Complex Protostellar Chemistry (United States)

    Nuth, Joseph A., III; Johnson, Natasha M.


    Two decades ago, our understanding of the chemistry in protostars was simple-matter either fell into the central star or was trapped in planetary-scale objects. Some minor chemical changes might occur as the dust and gas fell inward, but such effects were overwhelmed by the much larger scale processes that occurred even in bodies as small as asteroids. The chemistry that did occur in the nebula was relatively easy to model because the fall from the cold molecular cloud into the growing star was a one-way trip down a well-known temperature-pressure gradient; the only free variable was time. However, just over 10 years ago it was suggested that some material could be processed in the inner nebula, flow outward, and become incorporated into comets (1, 2). This outward flow was confirmed when the Stardust mission returned crystalline mineral fragments (3) from Comet Wild 2 that must have been processed close to the Sun before they were incorporated into the comet. In this week's Science Express, Ciesla and Sandford (4) demonstrate that even the outermost regions of the solar nebula can be a chemically active environment. Their finding could have consequences for the rest of the nebula.

  11. Organometallic Neptunium Chemistry. (United States)

    Arnold, Polly L; Dutkiewicz, Michał S; Walter, Olaf


    Fifty years have passed since the foundation of organometallic neptunium chemistry, and yet only a handful of complexes have been reported, and even fewer have been fully characterized. Yet, increasingly, combined synthetic/spectroscopic/computational studies are demonstrating how covalently bonding, soft, carbocyclic organometallic ligands provide an excellent platform for advancing the fundamental understanding of the differences in orbital contributions and covalency in f-block metal-ligand bonding. Understanding the subtleties is the key to the safe handling and separations of the highly radioactive nuclei. This review describes the complexes that have been synthesized to date and presents a critical assessment of the successes and difficulties in their analysis and the bonding information they have provided. Because of increasing recent efforts to start new Np-capable air-sensitive inorganic chemistry laboratories, the importance of radioactivity, the basics of Np decay and its ramifications (including the radiochemical synthesis of one organometallic compound), and the available anhydrous starting materials are also surveyed. The review also highlights a range of instances in which important differences in the chemical behavior between Np and its closest neighbors, uranium and plutonium, are found.

  12. General Dialdehyde Click Chemistry for Amine Bioconjugation. (United States)

    Elahipanah, Sina; O'Brien, Paul J; Rogozhnikov, Dmitry; Yousaf, Muhammad N


    The development of methods for conjugating a range of molecules to primary amine functional groups has revolutionized the fields of chemistry, biology, and material science. The primary amine is a key functional group and one of the most important nucleophiles and bases used in all of synthetic chemistry. Therefore, tremendous interest in the synthesis of molecules containing primary amines and strategies to devise chemical reactions to react with primary amines has been at the core of chemical research. In particular, primary amines are a ubiquitous functional group found in biological systems as free amino acids, as key side chain lysines in proteins, and in signaling molecules and metabolites and are also present in many natural product classes. Due to its abundance, the primary amine is the most convenient functional group handle in molecules for ligation to other molecules for a broad range of applications that impact all scientific fields. Because of the primary amine's central importance in synthetic chemistry, acid-base chemistry, redox chemistry, and biology, many methods have been developed to efficiently react with primary amines, including activated carboxylic acids, isothiocyanates, Michael addition type systems, and reaction with ketones or aldehydes followed by in situ reductive amination. Herein, we introduce a new traceless, high-yield, fast click-chemistry method based on the rapid and efficient trapping of amine groups via a functionalized dialdehyde group. The click reaction occurs in mild conditions in organic solvents or aqueous media and proceeds in high yield, and the starting dialdehyde reagent and resulting dialdehyde click conjugates are stable. Moreover, no catalyst or dialdehyde-activating group is required, and the only byproduct is water. The initial dialdehyde and the resulting conjugate are both straightforward to characterize, and the reaction proceeds with high atom economy. To demonstrate the broad scope of this new click

  13. Chemistry in Context: Analysis of Thematic Chemistry Videos Available Online (United States)

    Christensson, Camilla; Sjöström, Jesper


    United Nations declared 2011 to be the International Year of Chemistry. The Swedish Chemical Society chose twelve themes, one for each month, to highlight the connection of chemistry with everyday life. Examples of themes were fashion, climate change, love, sports, communication, health issues, and food. From the themes various context-based…

  14. A Quantum Chemistry Concept Inventory for Physical Chemistry Classes (United States)

    Dick-Perez, Marilu; Luxford, Cynthia J.; Windus, Theresa L.; Holme, Thomas


    A 14-item, multiple-choice diagnostic assessment tool, the quantum chemistry concept inventory or QCCI, is presented. Items were developed based on published student misconceptions and content coverage and then piloted and used in advanced physical chemistry undergraduate courses. In addition to the instrument itself, data from both a pretest,…

  15. Chemistry for Whom? Gender Awareness in Teaching and Learning Chemistry (United States)

    Andersson, Kristina


    Marie Ståhl and Anita Hussénius have defined what discourses dominate national tests in chemistry for Grade 9 in Sweden by using feminist, critical didactic perspectives. This response seeks to expand the results in Ståhl and Hussénius's article "Chemistry inside an epistemological community box!--Discursive exclusions and inclusions in the…

  16. Low temperature nitrogen chemistry. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Glarborg, P.; Dam-Johansen, K.; Kristensen, P.G.; Alzueta, M.; Roejel, H.


    The results of a two tasks program on Natural Gas Reburning are reported. The work involved an experimental and theoretical study of the reburning and hybrid reburning/SNCR chemistry in the 1000-1500 K range. The interactions between hydrocarbon and nitrogen chemistry under fuel-rich conditions were investigated in order to assess the NO{sub x} reduction potential of low temperature reburning. The effect of reburn fuel(carbon monoxide, methane, acetylene, ethylene, ethane, and methane/ethane mixture), temperature, stoichiometry, reactant dilution, reaction time, and inlet NO level were studied. The results indicate a significant NO reduction potential even below 1400 K, but extrapolation to practical conditions are complicated by inadequate knowledge of the detailed chemistry as well as of the effect of mixing. The possibilities of enhancing the conversion to N{sub 2} instead of NO by adding selective reducing agents (hybrid reburning/SNCR) were evaluated. Our results indicate little synergistic effect between reburn and SNCR. The most simple configuration, where the selective reducing agent is injected together with the burnout air, is not expected to be effective, unless the N-agent is injected in form of an aqueous solution. A chemical kinetic model for reburning and reburn/SNCR is listed and can be obtained by e-mail from pgl(commerical at) 145 refs.

  17. Nuclear Chemistry and Chemistry of f-Elements in Chemistry Curriculum at Secondary Schools


    Distler, Petr


    This master's degree thesis, called Nuclear Chemistry and Chemistry of f-Elements in Chemistry Curriculum at Secondary Schools, conducts a research of the most commonly used high school textbooks. Within the textbook research, topics such as atomic nucleus composition, radioactivity, and f-elements were studied in order to evaluate to what extent contemporary textbooks meet to the curriculum requirements. Based on the textbook research, the new teaching texts, materials, and teaching tasks in...

  18. The impact of teacher assigned but not graded compared to teacher assigned and graded chemistry homework on the formative and summative chemistry assessment scores of 11th-grade students with varying chemistry potential (United States)

    Wilson, Jennifer L.

    The study analyzed 2005 posttest data compared to 2008 posttest data to determine student end of school year academic achievement outcomes across three academic levels (above average, average, and below average chemistry potential) and two teacher homework evaluation methods (assigned but not graded and assigned and graded) on teacher prepared 11th-grade assessments, district prepared 11th-grade assessment, and district graduation requirement physical science strand 11th-grade science Essential Learner Outcome assessment. Overall, results indicated that students with above average (n = 16), average, (n = 17) and below average (n = 14) chemistry potential whom were given teacher assigned and graded chemistry homework compared to students with above average (n = 17), average (n = 15), and below average (n = 19) chemistry potential whom were given teacher assigned but not graded chemistry homework had statistically significantly higher independent t test matter homework scores while atoms, naming, and reactions homework scores were generally in the direction of higher but not significant scores for students given graded homework regardless of their chemistry potential. Furthermore, students of above average and below average chemistry potential who were given assigned and graded chemistry homework performed statistically significantly better on the 11th-grade district prepared chemistry final and the district prepared physical science strand Essential Learner Outcome assessment t test results compared to students with the same chemistry potential given assigned but not graded chemistry homework, suggesting that the graded chemistry condition may have contributed to improved long term learning and retention of chemistry knowledge. Finally, the coefficient of determination (r2 = .95) measure of strength of relationship between not completing, not graded chemistry homework and a corresponding drop in chemistry assessment scores for all students was 95% and the

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

    Directory of Open Access Journals (Sweden)

    Marek Tobiszewski


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

  20. Green Chemistry Metrics with Special Reference to Green Analytical Chemistry. (United States)

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


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

  1. From organic chemistry to fat and oil chemistry*

    Directory of Open Access Journals (Sweden)

    Deffense Etienne


    Full Text Available With his work on animal fat and identification of fatty acids, Chevreul was a pioneer in organic chemistry. As Chevreul, I had a passion for organic chemistry too. It was then, an honour and a pleasure to present in 2008 at EFL in Athens this presentation entitled “From organic chemistry to fat and oil chemistry” because my background in organic chemistry helped me all along my professional career to understand and implement new developments related to oil and fat technology and processing. Among the topics which I worked out, I highlighted more particularly the following subjects: the degumming chemistry of oil and fat; the improvement of physical refining; a new chemical analytical tool for the dry fractionation; new development in the dry fractionation

  2. Significant steps in the evolution of analytical chemistry--is the today's analytical chemistry only chemistry? (United States)

    Karayannis, Miltiades I; Efstathiou, Constantinos E


    In this review the history of chemistry and specifically the history and the significant steps of the evolution of analytical chemistry are presented. In chronological time spans, covering the ancient world, the middle ages, the period of the 19th century, and the three evolutional periods, from the verge of the 19th century to contemporary times, it is given information for the progress of chemistry and analytical chemistry. During this period, analytical chemistry moved gradually from its pure empirical nature to more rational scientific activities, transforming itself to an autonomous branch of chemistry and a separate discipline. It is also shown that analytical chemistry moved gradually from the status of exclusive serving the chemical science, towards serving, the environment, health, law, almost all areas of science and technology, and the overall society. Some recommendations are also directed to analytical chemistry educators concerning the indispensable nature of knowledge of classical analytical chemistry and the associated laboratory exercises and to analysts, in general, why it is important to use the chemical knowledge to make measurements on problems of everyday life. Copyright © 2012 Elsevier B.V. All rights reserved.

  3. Tropospheric Halogen Chemistry (United States)

    von Glasow, R.; Crutzen, P. J.


    Halogens are very reactive chemicals that are known to play an important role in anthropogenic stratospheric ozone depletion chemistry, first recognized by Molina and Rowland (1974). However, they also affect the chemistry of the troposphere. They are of special interest because they are involved in many reaction cycles that can affect the oxidation power of the atmosphere indirectly by influencing the main oxidants O3 and its photolysis product OH and directly, e.g., by reactions of the Cl radical with hydrocarbons (e.g., CH4).Already by the middle of the nineteenth century, Marchand (1852) reported the presence of bromine and iodine in rain and other natural waters. He also mentions the benefits of iodine in drinking water through the prevention of goitres and cretinism. In a prophetic monograph "Air and Rain: The Beginnings of a Chemical Climatology," Smith (1872) describes measurements of chloride in rain water, which he states to originate partly from the oceans by a process that he compares with the bursting of "soap bubbles" which produces "small vehicles" that transfer small spray droplets of seawater to the air. From deviations of the sulfate-to-chloride ratio in coastal rain compared to seawater, Smith concluded that chemical processes occur once the particles are airborne.For almost a century thereafter, however, atmospheric halogens received little attention. One exception was the work by Cauer (1939), who reported that iodine pollution has been significant in Western and Central Europe due to the inefficient burning of seaweed, causing mean gas phase atmospheric concentrations as high as or greater than 0.5 μg m-3. In his classical textbook Air Chemistry and Radioactivity, Junge (1963) devoted less than three pages to halogen gas phase chemistry, discussing chlorine and iodine. As reviewed by Eriksson (1959a, b), the main atmospheric source of halogens is sea salt, derived from the bursting of bubbles of air which are produced by ocean waves and other

  4. Dynamic imine chemistry. (United States)

    Belowich, Matthew E; Stoddart, J Fraser


    Formation of an imine--from an amine and an aldehyde--is a reversible reaction which operates under thermodynamic control such that the formation of kinetically competitive intermediates are, in the fullness of time, replaced by the thermodynamically most stable product(s). For this fundamental reason, the imine bond has emerged as an extraordinarily diverse and useful one in the hands of synthetic chemists. Imine bond formation is one of a handful of reactions which define a discipline known as dynamic covalent chemistry (DCC), which is now employed widely in the construction of exotic molecules and extended structures on account of the inherent 'proof-reading' and 'error-checking' associated with these reversible reactions. While both supramolecular chemistry and DCC operate under the regime of reversibility, DCC has the added advantage of constructing robust molecules on account of the formation of covalent bonds rather than fragile supermolecules resulting from noncovalent bonding interactions. On the other hand, these products tend to require more time to form--sometimes days or even months--but their formation can often be catalysed. In this manner, highly symmetrical molecules and extended structures can be prepared from relatively simple precursors. When DCC is utilised in conjunction with template-directed protocols--which rely on the use of noncovalent bonding interactions between molecular building blocks in order to preorganise them into certain relative geometries as a prelude to the formation of covalent bonds under equilibrium control--an additional level of control of structure and topology arises which offers a disarmingly simple way of constructing mechanically-interlocked molecules, such as rotaxanes, catenanes, Borromean rings, and Solomon knots. This tutorial review focuses on the use of dynamic imine bonds in the construction of compounds and products formed with and without the aid of additional templates. While synthesis under thermodynamic

  5. Compressed Sensing for Chemistry (United States)

    Sanders, Jacob Nathan

    Many chemical applications, from spectroscopy to quantum chemistry, involve measuring or computing a large amount of data, and then compressing this data to retain the most chemically-relevant information. In contrast, compressed sensing is an emergent technique that makes it possible to measure or compute an amount of data that is roughly proportional to its information content. In particular, compressed sensing enables the recovery of a sparse quantity of information from significantly undersampled data by solving an ℓ 1-optimization problem. This thesis represents the application of compressed sensing to problems in chemistry. The first half of this thesis is about spectroscopy. Compressed sensing is used to accelerate the computation of vibrational and electronic spectra from real-time time-dependent density functional theory simulations. Using compressed sensing as a drop-in replacement for the discrete Fourier transform, well-resolved frequency spectra are obtained at one-fifth the typical simulation time and computational cost. The technique is generalized to multiple dimensions and applied to two-dimensional absorption spectroscopy using experimental data collected on atomic rubidium vapor. Finally, a related technique known as super-resolution is applied to open quantum systems to obtain realistic models of a protein environment, in the form of atomistic spectral densities, at lower computational cost. The second half of this thesis deals with matrices in quantum chemistry. It presents a new use of compressed sensing for more efficient matrix recovery whenever the calculation of individual matrix elements is the computational bottleneck. The technique is applied to the computation of the second-derivative Hessian matrices in electronic structure calculations to obtain the vibrational modes and frequencies of molecules. When applied to anthracene, this technique results in a threefold speed-up, with greater speed-ups possible for larger molecules. The

  6. From coordination chemistry to biological chemistry of aluminium. (United States)

    Kiss, Tamas


    The paper gives a review on the importance of distribution of Al in biological fluids, primarily in the lights of the works of the author in Al chemistry. It starts with studies of interactions of Al(III) with small biomolecules, such as aliphatic and aromatic hydroxycarboxylic acids, and inorganic and organic phosphates. A significant part of this review deals with the problems of description of the biospeciation of Al(III) in serum, where besides the thermodynamic conditions the role of time is also considered in the case of this sluggish metal ion. The Al(III) complexes of the other large group of biomolecules, proteins and their building blocks (oligo)peptides and amino acids are also discussed, where the role of the type of the side chain donors and the extent of preorganisation are considered in the efficiency of metal ion binding. The application of low molecular mass chelator molecules in restoring the dysfunctioning metal ion (including Al(III)) homeostasis in the treatment of Alzheimer's disease is also discussed in the paper. © 2013.

  7. News from Online: Green Chemistry (United States)

    Uffelman, Erich S.


    Green chemistry closely relates to energy and environmental problems, and includes the promotion of environmental friendly products and systems within the framework of renewable resources. Various websites on green chemistry are reviewed, one of which lists the 12 commandments of this particular subject.

  8. Chemistry Teachers' Views of Creativity (United States)

    Akkanat, Çigdem; Gökdere, Murat


    The purpose of this study was to determine chemistry teachers' views of creativity. In this study, phenomenology method, one of the qualitative research patterns, was used. The participants of this study were 13 chemistry teachers working in Amasya. A semi-structured interview form was used for data collection. By using NVivo 9 qualitative…

  9. How fast is ultrafast chemistry


    Bagchi, Biman


    The field of ultrafast chemistry has seen a string of remarkable discoveries in the recent years. In this article we briefly discuss some of the problems solved recently. The understanding that has emerged from these studies has important consequences non only in chemistry but also in diverse biological processes.

  10. Modern Trends in Inorganic Chemistry

    Indian Academy of Sciences (India)


    The series of symposia on 'Modern Trends in Inorganic Chemistry' (MTIC), which began in 1985 at the Indian Association for Cultivation of Science, Calcutta has evolved into a forum for the Inorganic Chemistry fraternity of the country to meet every two years and discuss the current status and future projections of research in.

  11. Plasma chemistry and its applications (United States)

    Hozumi, K.


    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).

  12. Introducing Relativity into Quantum Chemistry (United States)

    Li, Wai-Kee; Blinder, S. M.


    It is not often realized by chemists that the special theory of relativity is behind several aspects of quantum chemistry. The Schrdinger equation itself is based on relations between space-time and energy-momentum four vectors. Electron spin is, of course, the most obvious manifestation of relativity. The chemistry of some heavy elements is…

  13. Contextualising Nanotechnology in Chemistry Education (United States)

    O'Connor, Christine; Hayden, Hugh


    In recent years nanotechnology has become part of the content of many undergraduate chemistry and physics degree courses. This paper deals with the role of contextualisation of nanotechnology in the delivery of the content, as nanotechnology is only now being slowly integrated into many chemistry degree courses in Ireland and elsewhere. An…

  14. New Thinking in School Chemistry. (United States)

    Organisation for Economic Cooperation and Development, Paris (France).

    This report contains the text of addresses given at a seminar on the status and development of the teaching of secondary school chemistry held in 1960 by the Organization for European Economic Development (now the Organization for Economic Cooperation and Development). The speakers considered advances in theoretical chemistry since 1900, the…

  15. Rethinking Undergraduate Physical Chemistry Curricula (United States)

    Miller, Stephen R.


    A summary of fundamental changes made to the undergraduate physical chemistry curriculum in the Chemistry Department at Gustavus Adolphus College (beginning in the 2013-2014 academic year) is presented. The yearlong sequence now consists of an introductory semester covering both quantum mechanics and thermodynamics/kinetics, followed by a second…

  16. Refresher Course in Experimental Chemistry

    Indian Academy of Sciences (India)


    diverse topics such as chemical kinetics, electrochemistry, spectrophotometry, polymer chemistry, advanced synthesis in inorganic and organic chemistry and molecular modelling. The focus of this. Course is to acquaint the participants with novel avenues of sensitizing the students at the undergraduate level about the ...

  17. Organic chemistry on Titan (United States)

    Chang, S.; Scattergood, T.; Aronowitz, S.; Flores, J.


    Features taken from various models of Titan's atmosphere are combined in a working composite model that provides environmental constraints within which different pathways for organic chemical synthesis are determined. Experimental results and theoretical modeling suggest that the organic chemistry of the satellite is dominated by two processes: photochemistry and energetic particle bombardment. Photochemical reactions of CH4 in the upper atmosphere can account for the presence of C2 hydrocarbons. Reactions initiated at various levels of the atmosphere by cosmic rays, Saturn 'wind', and solar wind particle bombardment of a CH4-N2 atmospheric mixture can account for the UV-visible absorbing stratospheric haze, the reddish appearance of the satellite, and some of the C2 hydrocarbons. In the lower atmosphere photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. It is concluded that the surface of Titan may contain ancient or recent organic matter (or both) produced in the atmosphere.

  18. Getting Hooked on Chemistry (United States)

    Mason, Diana S.


    Other fun things in this issue include three Quote Boxes by Olney (3) that will allow your students to engage in deductive reasoning to solve the puzzles. Kelkar (4) presents a slightly more difficult but very clever mystery element game; it provides clues to element symbols that all fit into a single matrix. Ibanez's game (5) lists popular sayings or proverbs and the student's job is to match each with an analogous chemical phenomenon. As always, answers are provided. For the more sophisticated among us, there is Who Wants to Be a Chemist Extraordinaire? devised by Campbell and Muzyka (6), who describe their use of online chemistry game shows patterned on popular TV programs. Examples of the HTML files with sample questions are available through JCE Online. These are just some of the many suggestions that can be found in this issue of JCE. Try a few, you might like them!

  19. Beryllium chemistry and processing

    CERN Document Server

    Walsh, Kenneth A


    This book introduces beryllium; its history, its chemical, mechanical, and physical properties including nuclear properties. The 29 chapters include the mineralogy of beryllium and the preferred global sources of ore bodies. The identification and specifics of the industrial metallurgical processes used to form oxide from the ore and then metal from the oxide are thoroughly described. The special features of beryllium chemistry are introduced, including analytical chemical practices. Beryllium compounds of industrial interest are identified and discussed. Alloying, casting, powder processing, forming, metal removal, joining and other manufacturing processes are covered. The effect of composition and process on the mechanical and physical properties of beryllium alloys assists the reader in material selection. The physical metallurgy chapter brings conformity between chemical and physical metallurgical processing of beryllium, metal, alloys, and compounds. The environmental degradation of beryllium and its all...

  20. Lessons for Introductory Chemistry (United States)

    Martin, John S.; Blackburn, Edward V.


    These twelve lessons, and an introductory lesson, are tutorials in basic topics of introductory chemistry. They are suitable for school use, individual study, or distance learning. They are particularly valuable as review material for students in more advanced courses who may have been away from the subject for some time. They contain a great variety of problems and exercises driven by random-number generators, so that the same problem never repeats exactly. The lessons are, for the most part, Socratic dialogues in which the student is required to answer questions and perform simulated experiments in order to discover chemical principles. They are organized in an intuitive chapter and page structure. One may move readily around each lesson. There are many on-screen facilities such as help, data tables, and a calculator.

  1. Advances in analytical chemistry (United States)

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


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

  2. Reaxys Medicinal Chemistry



    Представлены руководства по работе с базой данных по медицинской химии REAXYS MEDICINAL CHEMISTRY издательства Elsevier на английском и русском языках.

  3. Silane Discharge Ion Chemistry. (United States)

    Chatham, Robert Hood, III

    We have studied silane dc, rf and dc proximity discharges, using mass spectroscopic measurements of the positive ions as a detailed diagnostic for the type of discharge used to produce hydrogenated amorphous silicon solar photovoltaic cells. The properties and quality of these films depends in a very complex way upon the interactions of the many reactive neutral and ion species in the discharge. We have developed qualitative models of the ion chemical processes in these discharges from our measurements. Knowledge of the ion-molecule and electron-molecule collision cross sections is important to any attempt at understanding silane discharge chemistry. Consequently, we have measured the electron impact ionization cross sections for silane and disilane, and for comparison purposes also for methane and ethane. In addition, we have measured the rate coefficients for charge exchange reactions of He('+), Ne('+), and Ar('+) with silane, disilane, methane, and ethane, as these are important to understanding discharges in inert gas-silane mixtures. We have developed a detailed quantitative model of the cathode sheath region of a silane dc discharge, by extending the best recent calculation of the electron motion in the sheath to a self-consistent form which includes the ion motion. This model is used with comparison of silane dc discharge data to diagnose the ion chemistry occurring in the sheath region of silane dc discharge. The understanding of the discharge ion chemical processes that we have gained in this study represent an important step toward understanding the chemical and physical processes leading to film growth.

  4. Handbook of relativistic quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering


    This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

  5. Gas Phase Sulfur, Chlorine and Potassium Chemistry in Biomass Combustion

    DEFF Research Database (Denmark)

    Løj, Lusi Hindiyarti


    Gas Phase Sulfur, Chlorine and Alkali Metal Chemistry in Biomass Combustion Concern about aerosols formation, deposits, corrosion, and gaseous emissions during biomass combustion, especially straw, continues to be a driving force for investigation on S, Cl, K-containing species under combustions...... the uncertainties. In the present work, the detailed kinetic model for gas phase sulfur, chlorine, alkali metal, and their interaction has been updated. The K/O/H/Cl chemistry, S chemistry, and their interaction can reasonably predict a range of experimental data. In general, understanding of the interaction...... conditions. These trace species contained in the biomass structure will be released to the gas phase during combustion and contribute to the problems generated during the process. The investigation during this PhD project is done to stepwise improve the understanding in the chemistry and reduce...

  6. Chemistry of Art and Color Sudoku Puzzles (United States)

    Welsh, Michael J.


    Sudoku puzzle format was used to teach light science and chemistry terms to students of Chemistry of Art and Color. The puzzles were used to motivate and encourage students to learn chemistry in an easier and in friendly fashion.

  7. Chemistry Concepts and Vocabulary from Root Words

    Indian Academy of Sciences (India)

    /fulltext/reso/011/07/0080-0098. Keywords. Introductory chemistry; interdisciplinary; vocabulary; language of chemistry; curriculum. Author Affiliations. Nittala S Sarma1. School of Chemistry, Andhra University, Visakhapatnam 530 003, India ...

  8. Chemistry for whom? Gender awareness in teaching and learning chemistry (United States)

    Andersson, Kristina


    Marie Ståhl and Anita Hussénius have defined what discourses dominate national tests in chemistry for Grade 9 in Sweden by using feminist, critical didactic perspectives. This response seeks to expand the results in Ståhl and Hussénius's article Chemistry inside an epistemological community box!— Discursive exclusions and inclusions in the Swedish national tests in chemistry, by using different facets of gender awareness. The first facet—Gender awareness in relations to the test designers' own conceptions—highlighted how the gender order where women are subordinated men becomes visible in the national tests as a consequence of the test designers internalized conceptions. The second facet—Gender awareness in relation to chemistry—discussed the hierarchy between discourses within chemistry. The third facet—Gender awareness in relation to students—problematized chemistry in relation to the students' identity formation. In summary, I suggest that the different discourses can open up new ways to interpret chemistry and perhaps dismantle the hegemonic chemistry discourse.

  9. Is fossil cycle chemistry the Cinderella of power plant chemistry?

    Energy Technology Data Exchange (ETDEWEB)

    Bursik, L. [BHT GmbH, Kusterdingen-Wankheim (Germany); Bursik, A. [PowerPlant Chemistry GmbH, Neulussheim (Germany)


    A survey of the topics addressed at three major European power plant chemistry conferences has revealed that fossil cycle chemistry, like the neglected stepsister Cinderella, is not getting the attention it deserves. Boiler tube failures are the leading cause of forced outages in the conventional fossil plant utility industry, and heat recovery steam generator tube failures are the major cause of damage in the multiple-pressure combined-cycle plants. While other topics are surely important, more honest and open discussion of chemistry-related problems in fossil cycles is imperative to achieving operational benefits like higher reliability, availability, and efficiency. (orig.)

  10. In-Package Chemistry Abstraction

    Energy Technology Data Exchange (ETDEWEB)

    P.S. Domski


    The work associated with the development of this model report was performed in accordance with the requirements established in ''Technical Work Plan for Waste Form Degradation Modeling, Testing, and Analyses in Support of SR and LA'' (BSC 2002a). The in-package chemistry model and in-package chemistry model abstraction are developed to predict the bulk chemistry inside of a failed waste package and to provide simplified expressions of that chemistry. The purpose of this work is to provide the abstraction model to the Performance Assessment Project and the Waste Form Department for development of geochemical models of the waste package interior. The scope of this model report is to describe the development and validation of the in-package chemistry model and in-package chemistry model abstraction. The in-package chemistry model will consider chemical interactions of water with the waste package materials and the waste form for commercial spent nuclear fuel (CSNF) and codisposed high-level waste glass (HLWG) and N Reactor spent fuel (CDNR). The in-package chemistry model includes two sub-models, the first a water vapor condensation (WVC) model, where water enters a waste package as vapor and forms a film on the waste package components with subsequent film reactions with the waste package materials and waste form--this is a no-flow model, the reacted fluids do not exit the waste package via advection. The second sub-model of the in-package chemistry model is the seepage dripping model (SDM), where water, water that may have seeped into the repository from the surrounding rock, enters a failed waste package and reacts with the waste package components and waste form, and then exits the waste package with no accumulation of reacted water in the waste package. Both of the submodels of the in-package chemistry model are film models in contrast to past in-package chemistry models where all of the waste package pore space was filled with water. The

  11. Aquatic chemistry of flood events (United States)

    Klavins, Maris; Rodinov, Valery


    During flood events a major discharge of water and dissolved substances happens. However flood waters very much differs from water composition during low-water events. Aquatic chemistry of flood waters also is of importance at the calculation of loadings as well as they might have major impact on water quality in receiving water bodies (lakes, coastal waters and seas). Further flood regime of rivers is subjected to changes due to climate change and growing impact of human activities. The aim of this study is to analyse water chemical composition changes during flood events in respect to low water periods, character of high-water events and characteristics of the corresponding basin. Within this study, the concentrations of major dissolved substances in the major rivers of Latvia have been studied using monitoring data as well as field studies during high water/ low water events. As territories of studies flows of substances in river basins/subbasins with different land-use character and different anthropogenic impacts has been studied to calculate export values depending on the land-use character. Impact of relations between dissolved substances and relations in respect to budgets has been calculated. The dynamics of DOC, nutrient and major dissolved substance flows depending on landuse pattern and soil properties in Latvia has been described, including emissions by industrial and agricultural production. In these changes evidently climate change signals can be identified. The water chemistry of a large number of rivers during flood events has been determined and the possible impact of water chemical composition on DOC and nutrient flows has been evaluated. Long-term changes (1977-2013) of concentrations of dissolved substances do not follow linear trends but rather show oscillating patterns, indicating impact of natural factors, e.g. changing hydrological and climatic conditions. There is a positive correlation between content of inert dissolved substances and

  12. Inorganic Chemistry Solutions to Semiconductor Nanocrystal Problems

    Energy Technology Data Exchange (ETDEWEB)

    Alvarado, Samuel R. [Ames Laboratory; Guo, Yijun [Ames Laboratory; Ruberu, T. Purnima A. [Ames Laboratory; Tavasoli, Elham [Ames Laboratory; Vela, Javier [Ames Laboratory


    The optoelectronic and chemical properties of semiconductor nanocrystals heavily depend on their composition, size, shape and internal structure, surface functionality, etc. Available strategies to alter these properties through traditional colloidal syntheses and ligand exchange methods place a premium on specific reaction conditions and surfactant combinations. In this invited review, we apply a molecular-level understanding of chemical precursor reactivity to reliably control the morphology, composition and intimate architecture (core/shell vs. alloyed) of semiconductor nanocrystals. We also describe our work aimed at achieving highly selective, low-temperature photochemical methods for the synthesis of semiconductor–metal and semiconductor–metal oxide photocatalytic nanocomposites. In addition, we describe our work on surface modification of semiconductor nanocrystal quantum dots using new approaches and methods that bypass ligand exchange, retaining the nanocrystal's native ligands and original optical properties, as well as on spectroscopic methods of characterization useful in determining surface ligand organization and chemistry. Using recent examples from our group and collaborators, we demonstrate how these efforts have lead to faster, wider and more systematic application of semiconductor nanocrystal-based materials to biological imaging and tracking, and to photocatalysis of unconventional substrates. We believe techniques and methods borrowed from inorganic chemistry (including coordination, organometallic and solid state chemistry) have much to offer in reaching a better understanding of the synthesis, functionalization and real-life application of such exciting materials as semiconductor nanocrystals (quantum dots, rods, tetrapods, etc.).

  13. Compression selective solid-state chemistry (United States)

    Hu, Anguang

    Compression selective solid-state chemistry refers to mechanically induced selective reactions of solids under thermomechanical extreme conditions. Advanced quantum solid-state chemistry simulations, based on density functional theory with localized basis functions, were performed to provide a remarkable insight into bonding pathways of high-pressure chemical reactions in all agreement with experiments. These pathways clearly demonstrate reaction mechanisms in unprecedented structural details, showing not only the chemical identity of reactive intermediates but also how atoms move along the reaction coordinate associated with a specific vibrational mode, directed by induced chemical stress occurred during bond breaking and forming. It indicates that chemical bonds in solids can break and form precisely under compression as we wish. This can be realized through strongly coupling of mechanical work to an initiation vibrational mode when all other modes can be suppressed under compression, resulting in ultrafast reactions to take place isothermally in a few femtoseconds. Thermodynamically, such reactions correspond to an entropy minimum process on an isotherm where the compression can force thermal expansion coefficient equal to zero. Combining a significantly brief reaction process with specific mode selectivity, both statistical laws and quantum uncertainty principle can be bypassed to precisely break chemical bonds, establishing fundamental principles of compression selective solid-state chemistry. Naturally this leads to understand the ''alchemy'' to purify, grow, and perfect certain materials such as emerging novel disruptive energetics.

  14. Alcohol combustion chemistry

    KAUST Repository

    Sarathy, Mani


    Alternative transportation fuels, preferably from renewable sources, include alcohols with up to five or even more carbon atoms. They are considered promising because they can be derived from biological matter via established and new processes. In addition, many of their physical-chemical properties are compatible with the requirements of modern engines, which make them attractive either as replacements for fossil fuels or as fuel additives. Indeed, alcohol fuels have been used since the early years of automobile production, particularly in Brazil, where ethanol has a long history of use as an automobile fuel. Recently, increasing attention has been paid to the use of non-petroleum-based fuels made from biological sources, including alcohols (predominantly ethanol), as important liquid biofuels. Today, the ethanol fuel that is offered in the market is mainly made from sugar cane or corn. Its production as a first-generation biofuel, especially in North America, has been associated with publicly discussed drawbacks, such as reduction in the food supply, need for fertilization, extensive water usage, and other ecological concerns. More environmentally friendly processes are being considered to produce alcohols from inedible plants or plant parts on wasteland. While biofuel production and its use (especially ethanol and biodiesel) in internal combustion engines have been the focus of several recent reviews, a dedicated overview and summary of research on alcohol combustion chemistry is still lacking. Besides ethanol, many linear and branched members of the alcohol family, from methanol to hexanols, have been studied, with a particular emphasis on butanols. These fuels and their combustion properties, including their ignition, flame propagation, and extinction characteristics, their pyrolysis and oxidation reactions, and their potential to produce pollutant emissions have been intensively investigated in dedicated experiments on the laboratory and the engine scale

  15. The radiation chemistry of macromolecules

    CERN Document Server


    The Radiation Chemistry of Macromolecules, Volume II is a collection of papers that discusses radiation chemistry of specific systems. Part 1 deals with radiation chemistry of substituted vinyl polymers, particularly polypropylene (PP) as its structure is intermediate between polyethylene and polyisobutylene. This part also discusses polypropylene oxide (PPOx) for it can be prepared in the atactic, isotactic, and optically active forms. One paper focuses on the fundamental chemical processes and the changes in physical properties that give rise to many different applications of polystyrene. An

  16. Smart Cities Will Need Chemistry

    Directory of Open Access Journals (Sweden)

    Alexandru WOINAROSCHY


    Full Text Available A smart city is a sustainable and efficient urban centre that provides a high quality of life to its inhabitants through optimal management of its resources. Chemical industry has a key role to play in the sustainable evolution of the smart cities. Additionally, chemistry is at the heart of all modern industries, including electronics, information technology, biotechnology and nano-technology. Chemistry can make the smart cities project more sustainable, more energy efficient and more cost effective. There are six broad critical elements of any smart city: water management systems; infrastructure; transportation; energy; waste management and raw materials consumption. In all these elements chemistry and chemical engineering are deeply involved.

  17. Catalysis and sustainable (green) chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Centi, Gabriele; Perathoner, Siglinda [Dipartimento di Chimica Industriale ed Ingegneria dei Materiali, University of Messina, Salita Sperone 31, 98166 Messina (Italy)


    Catalysis is a key technology to achieve the objectives of sustainable (green) chemistry. After introducing the concepts of sustainable (green) chemistry and a brief assessment of new sustainable chemical technologies, the relationship between catalysis and sustainable (green) chemistry is discussed and illustrated via an analysis of some selected and relevant examples. Emphasis is also given to the concept of catalytic technologies for scaling-down chemical processes, in order to develop sustainable production processes which reduce the impact on the environment to an acceptable level that allows self-depuration processes of the living environment.

  18. Advances in electron transfer chemistry

    CERN Document Server

    Mariano, Patrick S


    Advances in Electron Transfer Chemistry, Volume 3 presents studies that discuss findings in the various aspects of electron chemistry. The book is comprised of four chapters; each chapter reviews a work that tackles an issue in electron transfer chemistry. Chapter 1 discusses the photoinduced electron transfer in flexible biaryl donor-acceptor molecules. Chapter 2 tackles light-induced electron transfer in inorganic systems in homogeneous and heterogeneous phases. The book also covers internal geometry relaxation effects on electron transfer rates of amino-centered systems. The sequential elec


    Energy Technology Data Exchange (ETDEWEB)

    Kalvans, J., E-mail: [Engineering Research Institute “Ventspils International Radio Astronomy Center” of Ventspils University College, Inzenieru 101, Ventspils, LV-3601 (Latvia)


    Starless molecular cores are natural laboratories for interstellar molecular chemistry research. The chemistry of ices in such objects was investigated with a three-phase (gas, surface, and mantle) model. We considered the center part of five starless cores, with their physical conditions derived from observations. The ice chemistry of oxygen, nitrogen, sulfur, and complex organic molecules (COMs) was analyzed. We found that an ice-depth dimension, measured, e.g., in monolayers, is essential for modeling of chemistry in interstellar ices. Particularly, the H{sub 2}O:CO:CO{sub 2}:N{sub 2}:NH{sub 3} ice abundance ratio regulates the production and destruction of minor species. It is suggested that photodesorption during the core-collapse period is responsible for the high abundance of interstellar H{sub 2}O{sub 2} and O{sub 2}H and other species synthesized on the surface. The calculated abundances of COMs in ice were compared to observed gas-phase values. Smaller activation barriers for CO and H{sub 2}CO hydrogenation may help explain the production of a number of COMs. The observed abundance of methyl formate HCOOCH{sub 3} could be reproduced with a 1 kyr, 20 K temperature spike. Possible desorption mechanisms, relevant for COMs, are gas turbulence (ice exposure to interstellar photons) or a weak shock within the cloud core (grain collisions). To reproduce the observed COM abundances with the present 0D model, 1%–10% of ice mass needs to be sublimated. We estimate that the lifetime for starless cores likely does not exceed 1 Myr. Taurus cores are likely to be younger than their counterparts in most other clouds.

  20. Atmospheric and aerosol chemistry

    Energy Technology Data Exchange (ETDEWEB)

    McNeill, V. Faye [Columbia Univ., New York, NY (United States). Dept. of Chemical Engineering; Ariya, Parisa A. (ed.) [McGill Univ. Montreal, QC (Canada). Dept. of Chemistry; McGill Univ. Montreal, QC (Canada). Dept. of Atmospheric and Oceanic Sciences


    This series presents critical reviews of the present position and future trends in modern chemical research. Short and concise reports on chemistry, each written by the world renowned experts. Still valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: Christian George, Barbara D'Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann Emerging Areas in Atmospheric Photochemistry. Lisa Whalley, Daniel Stone, Dwayne Heard New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory. Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll Volatility and Aging of Atmospheric Organic Aerosol. P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization V. Faye McNeill, Neha Sareen, Allison N. Schwier Surface-Active Organics in Atmospheric Aerosols.

  1. Mars aqueous chemistry experiment (United States)

    Clark, Benton C.; Mason, Larry W.


    Mars Aqueous Chemistry Experiment (MACE) is designed to conduct a variety of measurements on regolith samples, encompassing mineral phase analyses, chemical interactions with H2O, and physical properties determinations. From these data, much can be learned or inferred regarding the past weathering environment, the contemporaneous soil micro-environments, and the general chemical and physical state of the Martian regolith. By analyzing both soil and duricrust samples, the nature of the latter may become more apparent. Sites may be characterized for comparative purposes and criteria could be set for selection of high priority materials on future sample return missions. The second year of the MACE project has shown significant progress in two major areas. MACE Instrument concept definition is a baseline design that has been generated for the complete MACE instrument, including definition of analysis modes, mass estimates and thermal model. The design includes multiple reagent reservoirs, 10 discrete analysis cells, sample manipulation capability, and thermal control. The MACE Measurement subsystems development progress is reported regarding measurement capabilities for aqueous ion sensing, evolved gas sensing, solution conductivity measurement, reagent addition (titration) capabilities, and optical sensing of suspended particles.

  2. Marine fragrance chemistry. (United States)

    Hügel, Helmut M; Drevermann, Britta; Lingham, Anthony R; Marriott, Philip J


    The main marine message in perfumery is projected by Calone 1951 (7-methyl-2H-1,5-benzodioxepin-3(4H)-one). Kraft (Givaudan) and Gaudin (Firmenich) further maximized the marine fragrance molecular membership by extending the carbon chain of the 7-Me group. Our research targeted the polar group of the benzodioxepinone parent compound to investigate how this region of molecular makeup resonates with the dominant marine fragrance of the Calone 1951 structure. The olfactory evaluation of analogues prepared by chemical modification or removal of the CO group resulted in the introduction of aldehydic, sweet and floral-fruity notes with a diluted/diminished potency of the marine odor. To further analyze the olfactory properties of benzodioxepinones containing a diverse range of aromatic ring substituents, a novel synthesis route was developed. We found that a 7-alkyl group in Calone 1951 was essential for the maintenance of the significant marine odor characteristic, and our studies support the concept that the odorant structure occupying the hydrophobic binding pocket adjacent to the aromatic ring-binding site of the olfactory receptor is pivotal in the design and discovery of more potent and characteristic marine fragrances. How the structure of benzodioxepinones connects to marine sea-breeze fragrances is our continuing challenging research focus at the chemistry-biology interface.


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

  4. Operando chemistry of catalyst surfaces during catalysis. (United States)

    Dou, Jian; Sun, Zaicheng; Opalade, Adedamola A; Wang, Nan; Fu, Wensheng; Tao, Franklin Feng


    Chemistry of a catalyst surface during catalysis is crucial for a fundamental understanding of mechanism of a catalytic reaction performed on the catalyst in the gas or liquid phase. Due to the pressure- or molecular density-dependent entropy contribution of gas or liquid phase of the reactants and the potential formation of a catalyst surface during catalysis different from that observed in an ex situ condition, the characterization of the surface of a catalyst under reaction conditions and during catalysis can be significant and even necessary for understanding the catalytic mechanism at a molecular level. Electron-based analytical techniques are challenging for studying catalyst nanoparticles in the gas or liquid phase although they are necessary techniques to employ. Instrumentation and further development of these electron-based techniques have now made in situ/operando studies of catalysts possible. New insights into the chemistry and structure of catalyst nanoparticles have been uncovered over the last decades. Herein, the origin of the differences between ex situ and in situ/operando studies of catalysts, and the technical challenges faced as well as the corresponding instrumentation and innovations utilized for characterizing catalysts under reaction conditions and during catalysis, are discussed. The restructuring of catalyst surfaces driven by the pressure of reactant(s) around a catalyst, restructuring in reactant(s) driven by reaction temperature and restructuring during catalysis are also reviewed herein. The remaining challenges and possible solutions are briefly discussed.

  5. Shock-induced chemistry in organic materials

    Energy Technology Data Exchange (ETDEWEB)

    Dattelbaum, Dana M [Los Alamos National Laboratory; Sheffield, Steve [Los Alamos National Laboratory; Engelke, Ray [Los Alamos National Laboratory; Manner, Virginia [Los Alamos National Laboratory; Chellappa, Raja [Los Alamos National Laboratory; Yoo, Choong - Shik [WASHINGTON STATE UNIV


    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.

  6. NWCA 2011 Soil Chemistry - Data (United States)

    U.S. Environmental Protection Agency — NWCA 2011 Soil Chemistry Data. This dataset is associated with the following publication: Nahlik, A., and M.S. Fennessy. Carbon storage in US wetlands. Nature...

  7. Promoting sustainability through green chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kirchhoff, Mary M. [American Chemical Society, 1155 Sixteenth Street, NW, Washington, DC 20036 (United States)


    Green chemistry is an important tool in achieving sustainability. The implementation of green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances, is essential if the expanding global population is to enjoy an increased standard of living without having a negative impact on the health of the planet. Cleaner technologies will allow the chemical enterprise to provide society with the goods and services on which it depends in an environmentally responsible manner. Green chemistry provides solutions to such global challenges as climate change, sustainable agriculture, energy, toxics in the environment, and the depletion of natural resources. A collaborative effort by industry, academia, and government is needed to promote the adoption of the green chemistry technologies necessary to achieve a sustainable society.

  8. Phosphorus chemistry in everyday living

    National Research Council Canada - National Science Library

    Toy, Arthur D. F


    The author has drawn on his 35 years of experience as a research scientist in phosphorus chemistry to produce a book that is not only readable to the non-chemist but sophisticated enough to interest...

  9. Plants and Medicinal Chemistry--2 (United States)

    Bailey, D.


    Second of a two part article on the influence of plants on medicinal chemistry. This part considers how drugs work, the attempts to develop anaesthetics safer than cocaine, and useful poisons. (Author/SL)

  10. Sexism in the Chemistry Curriculum (United States)

    Arnold, Lois


    Pinpoints the kinds of problems that must be dealt with in attempting to eliminate sexism from educational materials in chemistry at the secondary level--problems of language, illustrations, and content. (Author/RK)

  11. The Chemistry of a Mini (United States)

    Jones, C. E.


    Describes various parts of a mini car and their chemical composition. Useful information is included for science teachers to relate basic chemistry concepts and techniques with their application in automobile industry. (PS)

  12. Chemistry Education: Experiments Worth Running (United States)

    Kirchhoff, Mary M.


    The Education system has decided to introduce various new experiments and a digital system for imparting chemistry education to children in schools. The new programs are expected to prepare graduate students completely for their professional lives beyond the graduate school.

  13. Chemistry of Cigarette Burning Processes

    Directory of Open Access Journals (Sweden)

    Chen P


    Full Text Available Cigarette-burning and the smoke-formation processes and smoke composition are important topics for understanding cigarette performance. This paper proposes the molecular formulas representing the active components of bright, burley, and Oriental tobaccos and a basic chemistry model of the cigarette burning processes. Previous knowledge of the cigarette burning processes and smoke formation helped to establish parameters in deriving the basic chemistry equations. The proposed chemistry provides a brief view of the mechanisms of the cigarette burning during puffing and interpuff smoldering, and can be used to interpret and predict the smoke composition for cigarettes made from bright, burley, and Oriental tobaccos. Based on the proposed chemistry, the effect of ventilation on smoke component deliveries is discussed and the reaction heat of the puffing process is estimated.

  14. Organometallic chemistry of metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Muetterties, E.L.


    The organometallic chemistry of metal surfaces is defined as a function of surface crystallography and of surface composition for a set of cyclic hydrocarbons that include benzene, toluene, cyclohexadienes, cyclohexene, cyclohexane, cyclooctatetraene, cyclooctadienes, cyclooctadiene, cycloheptatriene and cyclobutane. 12 figures.

  15. Smart Cities Will Need Chemistry


    Alexandru WOINAROSCHY


    A smart city is a sustainable and efficient urban centre that provides a high quality of life to its inhabitants through optimal management of its resources. Chemical industry has a key role to play in the sustainable evolution of the smart cities. Additionally, chemistry is at the heart of all modern industries, including electronics, information technology, biotechnology and nano-technology. Chemistry can make the smart cities project more sustainable, more energy efficient and more cos...

  16. Overview of PWR chemistry options

    Energy Technology Data Exchange (ETDEWEB)

    Nordmann, F.; Stutzmann, A.; Bretelle, J.L. [Electricite de France, Central Labs. (France)


    EDF Central Laboratories, in charge of engineering in chemistry, of defining the chemistry specifications and studying the operation feedback and improvement for 58 PWR units, have the opportunity to evaluate many options of operation developed and applied all around the world. Thanks to these international relationships and to the benefit of a large feedback from many units, some general evaluation of the various options is discussed in this paper. (authors)

  17. Creating a Context for Chemistry (United States)

    Truman Schwartz, A.

    Until relatively recently, the teaching of chemistry at the college and university level in the United States has been quite traditional and oriented primarily toward the preparation of chemists. Students not concentrating in the sciences have often been poorly served by existing courses. Chemistry in Context: Applying Chemistry to Society, a textbook for nonscience majors developed under the sponsorship of the American Chemical Society, is an effort to address the needs and interests of this audience. The book introduces the phenomena and principles of chemistry within the context of socially significant issues such as global warming, ozone depletion, alternate energy sources, nutrition, and genetic engineering. The chemistry is presented as needed to inform an understanding of the central topics, and the text features student-centered activities designed to promote critical thinking and risk-benefit analysis as well as an understanding of chemical principles. This paper summarizes the origin, development, content, pedagogy, evaluation, and influence of Chemistry in Context and considers its potential implications for other disciplines and the instruction of science majors.

  18. Growing your green chemistry mindset (United States)

    Kosmas, Steven


    The purpose of this article is not to delineate the steps to move across the continuum to being a greener chemist, but to analyse the cognitive processes involved in fostering a green chemistry growth mindset (GCGM) [Dweck C. (2006) Mindset: The New Psychology of Success. New York, NY: Ballatine]. The focus is on changing the mindset, which inevitably will lead to a more mindful approach to chemistry practices before the laboratory begins. A green chemistry fixed mindset (GCFM) is closed to making improvements, since the attitude is that the techniques and processes in the laboratory are already employing a green chemistry mindset [Dweck C. (2006) Mindset: The New Psychology of Success. New York, NY: Ballatine]. The problem with the GCFM is that it precludes the possibility of making improvements. However, the GCGM employs a continuous, intentional focus on the attitude towards green chemistry, with the ultimate goal being a change in chemistry practices that is greener. The focus of this article will be on the GCGM.

  19. Effective Chemistry Communication in Informal Environments (United States)

    National Academies Press, 2016


    Chemistry plays a critical role in daily life, impacting areas such as medicine and health, consumer products, energy production, the ecosystem, and many other areas. Communicating about chemistry in informal environments has the potential to raise public interest and understanding of chemistry around the world. However, the chemistry community…

  20. Chemistry of fast electrons (United States)

    Maximoff, Sergey N.; Head-Gordon, Martin P.


    A chemicurrent is a flux of fast (kinetic energy ≳ 0.5−1.3 eV) metal electrons caused by moderately exothermic (1−3 eV) chemical reactions over high work function (4−6 eV) metal surfaces. In this report, the relation between chemicurrent and surface chemistry is elucidated with a combination of top-down phenomenology and bottom-up atomic-scale modeling. Examination of catalytic CO oxidation, an example which exhibits a chemicurrent, reveals 3 constituents of this relation: The localization of some conduction electrons to the surface via a reduction reaction, 0.5 O2 + δe− → Oδ− (Red); the delocalization of some surface electrons into a conduction band in an oxidation reaction, Oδ− + CO → CO2δ− → CO2 + δe− (Ox); and relaxation without charge transfer (Rel). Juxtaposition of Red, Ox, and Rel produces a daunting variety of metal electronic excitations, but only those that originate from CO2 reactive desorption are long-range and fast enough to dominate the chemicurrent. The chemicurrent yield depends on the universality class of the desorption process and the distribution of the desorption thresholds. This analysis implies a power-law relation with exponent 2.66 between the chemicurrent and the heat of adsorption, which is consistent with experimental findings for a range of systems. This picture also applies to other oxidation-reduction reactions over high work function metal surfaces. PMID:19561296

  1. Quantification of air plasma chemistry for surface disinfection (United States)

    Pavlovich, Matthew J.; Clark, Douglas S.; Graves, David B.


    Atmospheric-pressure air plasmas, created by a variety of discharges, are promising sources of reactive species for the emerging field of plasma biotechnology because of their convenience and ability to operate at ambient conditions. One biological application of ambient-air plasma is microbial disinfection, and the ability of air plasmas to decontaminate both solid surfaces and liquid volumes has been thoroughly established in the literature. However, the mechanism of disinfection and which reactive species most strongly correlate with antimicrobial effects are still not well understood. We describe quantitative gas-phase measurements of plasma chemistry via infrared spectroscopy in confined volumes, focusing on air plasma generated via surface micro-discharge (SMD). Previously, it has been shown that gaseous chemistry is highly sensitive to operating conditions, and the measurements we describe here extend those findings. We quantify the gaseous concentrations of ozone (O3) and nitrogen oxides (NO and NO2, or NOx) throughout the established ‘regimes’ for SMD air plasma chemistry: the low-power, ozone-dominated mode; the high-power, nitrogen oxides-dominated mode; and the intermediate, unstable transition region. The results presented here are in good agreement with previously published experimental studies of aqueous chemistry and parameterized models of gaseous chemistry. The principal finding of the present study is the correlation of bacterial inactivation on dry surfaces with gaseous chemistry across these time and power regimes. Bacterial decontamination is most effective in ‘NOx mode’ and less effective in ‘ozone mode’, with the weakest antibacterial effects in the transition region. Our results underscore the dynamic nature of air plasma chemistry and the importance of careful chemical characterization of plasma devices intended for biological applications.

  2. Fogwater chemistry at Riverside, California (United States)

    Munger, J. William; Collett, Jeff; Daube, Bruce; Hoffmann, Michael R.

    Fog, aerosol, and gas samples were collected during the winter of 1986 at Riverside, California. The dominant components of the aerosol were NH 4+, NO 3-, and SO 42-. Gaseous NH 3 was frequently present at levels equal to or exceeding the aerosol NH 4+. Maximum level were 3800, 3100, 690 and 4540 neq m -3 for NH 4+, NO 32- and NH 3(g), respectively. The fogwater collected at Riverside had very high concentrations, particularly of the major aerosol components. Maximum concentrations were 26,000 29,000 and 6200 μM for NH 4+, NO 3- and SO 42-, respectively. pH values in fogwater ranged from 2.3 to 5.7. Formate and acetate concentrations as high as 1500 and 580 μM, respectively, were measured. The maximum CH 2O concentration was 380 μM. Glyoxal and methylglyoxal were found in all the samples; their maximum concentrations were 280 and 120 μM, respectively. Comparison of fogwater and aerosol concentrations indicates that scavenging of precursor aerosol by fog droplets under the conditions at Riverside is less than 100% efficient. The chemistry at Riverside is controlled by the balance between HNO 3 production from NO x emitted throughout the Los Angeles basin and NH 3 emitted from dairy cattle feedlots just west of Riverside. The balance is controlled by local mixing. Acid fogs result at Riverside when drainage flows from the surrounding mountains isolate the site from the NH 3 source. Continued formation of HNO 3(g) in this air mass eventually depletes the residual NH 3(g). A simple box model that includes deposition, fog scavenging, and dilution is used to assess the effect of curtailing the dairy cattle feedlot operations. The calculations suggest that the resulting reduction of NH 3 levels would decrease the total NO 3- in the atmosphere, but nearly all remaining NO 3- would exist as HNO 3. Fogwater in the basin would be uniformly acidic.

  3. Publicising chemistry in a multicultural society through chemistry outreach

    Directory of Open Access Journals (Sweden)

    Joyce D. Sewry


    Full Text Available Given the emphasis in Higher Education on community engagement in South Africa and the importance of international collaboration, we discuss a joint approach to chemistry outreach in two countries on two continents with widely differing target school audiences. We describe the history of the partnership between the chemistry departments at Rhodes University and the University of Bristol and provide an outline of the chemistry content of their outreach initiatives, the modes of delivery, the advantages to both departments and their students for involvement in various levels of outreach, the challenges they still face and additional opportunities that such work facilitated. The lecture demonstration ‘A Pollutant’s Tale’ was presented to thousands of learners all over the world, including learners at resource-deprived schools in South Africa. Challenges to extend outreach activities in South Africa include long travelling distances, as well as a lack of facilities (such as school halls and electricity at schools. Outreach activities not only impacted on the target audience of young learners, they also impacted upon the postgraduate and other chemistry students taking part in these initiatives. This collaboration strengthened both institutions and their outreach work and may also lead to chemistry research collaborations between the academics involved.

  4. A New Approach to Polymer Chemistry: Organometallic and Bioactive Phosphazenes. (United States)


    different considerations govern chemistry carried out on large, linear molecules from those with which most chemists are familiar . High reactivity of nucleo - philes.1-4 Under suitable conditions all the halogen atoms can be replaced. 1 -9 This approach is summarized in Scheme I. Cl C lC P C

  5. Network analysis reveals multiscale controls on streamwater chemistry (United States)

    Kevin J. McGuire; Christian E. Torgersen; Gene E. Likens; Donald C. Buso; Winsor H. Lowe; Scott W. Bailey


    By coupling synoptic data from a basin-wide assessment of streamwater chemistry with network-based geostatistical analysis, we show that spatial processes differentially affect biogeochemical condition and pattern across a headwater stream network. We analyzed a high-resolution dataset consisting of 664 water samples collected every 100 m throughout 32 tributaries in...

  6. Metal-Free Click Chemistry Reactions on Surfaces

    NARCIS (Netherlands)

    Escorihuela, J.; Marcelis, A.T.M.; Zuilhof, H.


    In the last decade, interest in the functionalization of surfaces and materials has increased dramatically. In this regard, click chemistry deserves a central focus because of its mild reaction conditions, high efficiency, and easy post-treatment. Among such novel click reactions, those that do not

  7. BWR water chemistry guidelines and PWR primary water chemistry guidelines in Japan – Purpose and technical background

    Energy Technology Data Exchange (ETDEWEB)

    Kawamura, Hirotaka, E-mail: [Central Research Institute of Electric Power Industry (Japan); Hirano, Hideo [Central Research Institute of Electric Power Industry (Japan); Katsumura, Yousuke [University of Tokyo (Japan); Uchida, Shunsuke [Tohoku University (Japan); Mizuno, Takayuki [Mie University (Japan); Kitajima, Hideaki; Tsuzuki, Yasuo [Japan Nuclear Safety Institute (Japan); Terachi, Takumi [Institute of Nuclear Safety System, Inc. (Japan); Nagase, Makoto; Usui, Naoshi [Hitachi-GE Nuclear Energy, Ltd. (Japan); Takagi, Junichi; Urata, Hidehiro [Toshiba Corporation (Japan); Shoda, Yasuhiko; Nishimura, Takao [Mitsubishi Heavy Industry, Ltd. (Japan)


    Highlights: • Framework of BWR/PWR water chemistry Guidelines in Japan are presented. • Guideline necessity, definitions, philosophy and technical background are mentioned. • Some guideline settings for control parameters and recommendations are explaines. • Chemistry strategy is also mentioned. - Abstract: After 40 years of light water reactor (LWR) operations in Japan, the sustainable development of water chemistry technologies has aimed to ensure the highest coolant system component integrity and fuel reliability performance for maintaining LWRs in the world; additionally, it aimed to achieve an excellent dose rate reduction. Although reasonable control and diagnostic parameters are utilized by each boiling water reactor (BWR) and pressurized water reactor (PWR) owner, it is recognized that specific values are not shared among everyone involved. To ensure the reliability of BWR and PWR operation and maintenance, relevant members of the Atomic Energy Society of Japan (AESJ) decided to establish guidelines for water chemistry. The Japanese BWR and PWR water chemistry guidelines provide strategies to improve material and fuel reliability performance as well as to reduce dosing rates. The guidelines also provide reasonable “control values”, “diagnostic values” and “action levels” for multiple parameters, and they stipulate responses when these levels are exceeded. Specifically, “conditioning parameters” are adopted in the Japanese PWR primary water chemistry guidelines. Good practices for operational conditions are also discussed with reference to long-term experience. This paper presents the purpose, technical background and framework of the preliminary water chemistry guidelines for Japanese BWRs and PWRs. It is expected that the guidelines will be helpful as an introduction to achieve safety and reliability during operations.

  8. Novel Aryne Chemistry in Organic Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Zhijian [Iowa State Univ., Ames, IA (United States)


    Arynes are among the most intensively studied systems in chemistry. However, many aspects of the chemistry of these reactive intermediates are not well understood yet and their use as reagents in synthetic organic chemistry has been somewhat limited, due to the harsh conditions needed to generate arynes and the often uncontrolled reactivity exhibited by these species. Recently, o-silylaryl triflates, which can generate the corresponding arynes under very mild reaction conditions, have been found very useful in organic synthesis. This thesis describes several novel and useful methodologies by employing arynes, which generate from o-silylaryl triflates, in organic synthesis. An efficient, reliable method for the N-arylation of amines, sulfonamides and carbamates, and the O-arylation of phenols and carboxylic acids is described in Chapter 1. Amines, sulfonamides, phenols, and carboxylic acids are good nucleophiles, which can react with arynes generated from a-silylaryl triflates to afford the corresponding N- and O-arylated products in very high yields. The regioselectivity of unsymmetrical arynes has also been studied. A lot of useful, functional groups can tolerate our reaction conditions. Carbazoles and dibenzofurans are important heteroaromatic compounds, which have a variety of biological activities. A variety of substituted carbazoles and dibenzofwans are readily prepared in good to excellent yields starting with the corresponding o-iodoanilines or o-iodophenols and o-silylaryl triflates by a treatment with CsF, followed by a Pd-catalyzed cyclization, which overall provides a one-pot, two-step process. By using this methodology, the carbazole alkaloid mukonine has been concisely synthesized in a very good yield. Insertion of an aryne into a σ-bond between a nucleophile and an electrophile (Nu-E) should potentially be a very beneficial process from the standpoint of organic synthesis. A variety of substituted ketones and sulfoxides have been synthesized in good

  9. Thermal Decomposition Chemistry of Amine Borane (U)

    Energy Technology Data Exchange (ETDEWEB)

    Stowe, A. C.; Feigerle, J.; Smyrl, N. R.; Morrell, J. S.


    The conclusions of this presentation are: (1) Amine boranes potentially can be used as a vehicular hydrogen storage material. (2) Purity of the hydrogen stream is critical for use with a fuel cell. Pure H{sub 2} can be provided by carefully conditioning the fuel (encapsulation, drying, heating rate, impurities). (3) Thermodynamics and kinetics can be controlled by conditioning as well. (4) Regeneration of the spent amine borane fuel is still the greatest challenge to its potential use. (5) Addition of hydrocarbon-substituted amine boranes alter the chemistry dramatically. (6) Decomposition of the substituted amine borane mixed system favors reaction products that are more potentially easier to regenerate the hydrogenated fuel. (7) t-butylamine borane is not the best substituted amine borane to use since it releases isobutane; however, formation of CNBH{sub x} products does occur.

  10. Pedagogical Contend Knowledge about green chemistry: for university professors of chemistry


    Diana Lineth Parga Lozano


    The search area of interesting to researcher in Science education is the green curricula of teaching of teacher. Therefor, the next consideration take into account the university teacher of chemistry teacher in relation to knowledge that they have to teach the sustainable chemistry, environmental chemistry and the green chemistry, like levels of green chemistry when teach to chemistry teacher. The methodology included a documental study, in the national congress in Brazil about of...

  11. Making Decisions by Analytical Chemistry

    DEFF Research Database (Denmark)

    Andersen, Jens Enevold Thaulov

    . These discrepancies are very unfortunate because erroneous conclusions may arise from an otherwise meticulous and dedicated effort of research staff. This may eventually lead to unreliable conclusions thus jeopardizing investigations of environmental monitoring, climate changes, food safety, clinical chemistry......It has been long recognized that results of analytical chemistry are not flawless, owing to the fact that professional laboratories and research laboratories analysing the same type of samples by the same type of instruments are likely to obtain significantly different results. The European...... of accuracy published in research literature. The possible deviations are suspected to originate from long-term variations of detection systems of instrumental analysis, and the impact on these findings on future measurements of analytical chemistry is discussed....

  12. Radiation chemistry research using PULAF

    Energy Technology Data Exchange (ETDEWEB)

    Gaikwad, Parimal [National Centre for Free Radical Research, Department of Chemistry, University of Pune, Pune 411 007 (India); Priyadarsini, K.I. [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Rao, B.S.M. [National Centre for Free Radical Research, Department of Chemistry, University of Pune, Pune 411 007 (India)], E-mail:


    The details of the recently installed 7 MeV Pune University LINAC Facility (PULAF) coupled with the optical absorption technique for pulse radiolysis studies at the National Centre for Free Radical Research, Department of Chemistry, University of Pune, Pune, India are described. The facility has a selection of electron pulse widths in the range 10 ns-3 {mu}s with corresponding doses of about 5-144 Gy per pulse. The operation of the machine and the detection system are fully automated. Several researchers from various Indian universities and national laboratories use the PULAF and some of the projects that are currently undertaken by our group and others include the radiation chemistry of indole and chalcone derivatives, herbal antioxidants, structure-reactivity studies in cinnamates, redox chemistry of inorganic metal complexes, studies on oxidation of pyrimidine analogues and aromatic sulphur compounds. Some of them are briefly discussed here.

  13. Mass spectrometry. [in organic chemistry (United States)

    Burlingame, A. L.; Shackleton, C. H. L.; Howe, I.; Chizhov, O. S.


    A review of mass spectrometry in organic chemistry is given, dealing with advances in instrumentation and computer techniques, selected topics in gas-phase ion chemistry, and applications in such fields as biomedicine, natural-product studies, and environmental pollution analysis. Innovative techniques and instrumentation are discussed, along with chromatographic-mass spectrometric on-line computer techniques, mass spectral interpretation and management techniques, and such topics in gas-phase ion chemistry as electron-impact ionization and decomposition, photoionization, field ionization and desorption, high-pressure mass spectrometry, ion cyclotron resonance, and isomerization reactions of organic ions. Applications of mass spectrometry are examined with respect to bio-oligomers and their constituents, biomedically important substances, microbiology, environmental organic analysis, and organic geochemistry.

  14. Atmospheric Chemistry and Air Pollution

    Directory of Open Access Journals (Sweden)

    Jeffrey S. Gaffney


    Full Text Available Atmospheric chemistry is an important discipline for understanding air pollution and its impacts. This mini-review gives a brief history of air pollution and presents an overview of some of the basic photochemistry involved in the production of ozone and other oxidants in the atmosphere. Urban air quality issues are reviewed with a specific focus on ozone and other oxidants, primary and secondary aerosols, alternative fuels, and the potential for chlorine releases to amplify oxidant chemistry in industrial areas. Regional air pollution issues such as acid rain, long-range transport of aerosols and visibility loss, and the connections of aerosols to ozone and peroxyacetyl nitrate chemistry are examined. Finally, the potential impacts of air pollutants on the global-scale radiative balances of gases and aerosols are discussed briefly.

  15. Problems in structural inorganic chemistry

    CERN Document Server

    Li, Wai-Kee; Mak, Thomas Chung Wai; Mak, Kendrew Kin Wah


    This book consists of over 300 problems (and their solutions) in structural inorganic chemistry at the senior undergraduate and beginning graduate level. The topics covered comprise Atomic and Molecular Electronic States, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, and Crystal Structure. The central theme running through these topics is symmetry, molecular or crystalline. The problems collected in this volume originate in examination papers and take-home assignments that have been part of the teaching of the book's two senior authors' at The Chinese University of Hong Kong over the past four decades. The authors' courses include Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, X-Ray Crystallography, etc. The problems have been tested by generations of students taking these courses.

  16. The Acute Toxicity of Major Ion Salts to Ceriodaphnia dubia: I. Influence of background water chemistry. (United States)

    U.S. Environmental Protection Agency — This dataset provides concentration-response data and associated general chemistry conditions for 26 experiments consisting of 149 tests regarding the acute toxicity...

  17. NWFSC OA facility water chemistry - Ocean acidification species exposure experimental facility (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — We have developed a unique facility for conducting high-quality experiments on marine organisms in seawater with controlled carbon chemistry conditions. The...

  18. Alaska Steller sea lion pup serum chemistry and hematology values, 1998-2011 (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — These data were used for an analysis of Steller sea lion pup health and condition by Lander et al. (2013). Serum chemistry and hematological values were measured by...

  19. Sustainable Chemistry at Sungkyunkwan University. (United States)

    Park, Nam-Gyu


    Special Issue: Sustainable Chemistry at Sungkyunkwan University. Sustainable chemistry is key to the development of efficient renewable energies, which will become more and more important in order to combat global warming. In this Editorial, guest editor Prof. Nam-Gyu Park describes the context of this Special Issue on top-quality research towards sustainability performed at Sungkyunkwan University (SKKU) in Korea. Scientists at SKKU work on, for example, photovoltaic solar cells to generate low-cost electricity, lithium batteries and capacitors to store electricity, piezoelectric nanogenerators, thermoelectric devices, hydrogen generation, and fuel cells. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Theoretical chemistry advances and perspectives

    CERN Document Server

    Eyring, Henry


    Theoretical Chemistry: Advances and Perspectives, Volume 2 covers all aspects of theoretical chemistry.This book reviews the techniques that have been proven successful in the study of interatomic potentials in order to describe the interactions between complex molecules. The ground state properties of the interacting electron gas when a magnetic field is present are also elaborated, followed by a discussion on the Gellman-Brueckner-Macke theory of the correlation energy that has applications in atomic and molecular systems.This volume considers the instability of the Hartree-Fock ground state

  1. Analytical Chemistry: A Literary Approach (United States)

    Lucy, Charles A.


    The benefits of incorporating real-world examples of chemistry into lectures and lessons is reflected by the recent inclusion of the Teaching with Problems and Case Studies column in this Journal. However, these examples lie outside the experience of many students, and so much of the impact of "real-world" examples is lost. This paper provides an anthology of references to analytical chemistry techniques from history, popular fiction, and film. Such references are amusing to both instructor and student. Further, the fictional descriptions can serve as a focal point for discussions of a technique's true capabilities and limitations.

  2. Relevance and Significance of Extraterrestrial Abiological Hydrocarbon Chemistry. (United States)

    Olah, George A; Mathew, Thomas; Prakash, G K Surya


    Astrophysical observations show similarity of observed abiological "organics"-i.e., hydrocarbons, their derivatives, and ions (carbocations and carbanions)-with studied terrestrial chemistry. Their formation pathways, their related extraterrestrial hydrocarbon chemistry originating from carbon and other elements after the Big Bang, their parent hydrocarbon and derivative (methane and methanol, respectively), and transportation of derived building blocks of life by meteorites or comets to planet Earth are discussed in this Perspective. Their subsequent evolution on Earth under favorable "Goldilocks" conditions led to more complex molecules and biological systems, and eventually to humans. The relevance and significance of extraterrestrial hydrocarbon chemistry to the limits of science in relation to the physical aspects of evolution on our planet Earth are also discussed.

  3. Integrating Computational Chemistry into the Physical Chemistry Curriculum (United States)

    Johnson, Lewis E.; Engel, Thomas


    Relatively few undergraduate physical chemistry programs integrate molecular modeling into their quantum mechanics curriculum owing to concerns about limited access to computational facilities, the cost of software, and concerns about increasing the course material. However, modeling exercises can be integrated into an undergraduate course at a…

  4. Integrating Particulate Representations into AP Chemistry and Introductory Chemistry Courses (United States)

    Prilliman, Stephen G.


    The College Board's recently revised curriculum for advanced placement (AP) chemistry places a strong emphasis on conceptual understanding, including representations of particle phenomena. This change in emphasis is informed by years of research showing that students could perform algorithmic calculations but not explain those calculations…

  5. Radical chemistry of artemisinin

    Energy Technology Data Exchange (ETDEWEB)

    Denisov, Evgenii T; Solodova, S L; Denisova, Taisa G [Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region (Russian Federation)


    The review summarizes physicochemical characteristics of the natural sesquiterpene peroxide artemisinin. The kinetic schemes of transformations of artemisinin radicals under anaerobic conditions are presented and analyzed. The sequence of radical reactions of artemisinin in the presence of oxygen is considered in detail. Special emphasis is given to the intramolecular chain oxidation resulting in the transformation of artemisinin into polyatomic hydroperoxide. The kinetic characteristics of elementary reaction steps involving alkyl, alkoxyl, and peroxyl radicals generated from artemisinin are discussed. The results of testing of artemisinin and its derivatives for the antimalarial activity and the scheme of the biochemical synthesis of artemisinin in nature are considered.


    Energy Technology Data Exchange (ETDEWEB)

    Louie, Janis


    Our research program is broadly focused on activating CO{sub 2} through the use of organic and organometallic based catalysts. Some of our methods have centered on annulation reactions of unsaturated hydrocarbons (and carbonyl substrates) to provide a diverse array of carbocycles and heterocycles. We use a combination of catalyst discovery and optimization in conjunction with classical physical organic chemistry to elucidate the key mechanistic features of the cycloaddition reactions such that the next big advances in catalyst development can be made. Key to all of our cycloaddition reactions is the use of a sterically hindered, electron donating N heterocyclic carbene (NHC) ligand, namely IPr (or SIPr), in conjunction with a low valent nickel pre-catalyst. The efficacy of this ligand is two-fold: (1) the high {delta}-donating ability of the NHC increases the nucleophilicity of the metal center which thereby facilitates interaction with the electrophilic carbonyl and (2) the steric hindrance prevents an otherwise competitive side reaction involving only the alkyne substrate. Such a system has allowed for the facile cycloaddition to prepare highly functionalized pyrones, pyridones, pyrans, as well as novel carbocycles. Importantly, all reactions proceed under extremely mild conditions (room temperature, atmospheric pressures, and short reaction times), require only catalytic amounts of Ni/NHC and readily available starting materials, and afford annulated products in excellent yields. Our current focus revolves around understanding the fundamental processes that govern these cycloadditions such that the next big advance in the cyclization chemistry of CO{sub 2} can be made. Concurrent to our annulation chemistry is our investigation of the potential for imidazolylidenes to function as thermally-actuated CO{sub 2} sequestering and delivery agents.

  7. Water chemistry practice at German BWR plants

    Energy Technology Data Exchange (ETDEWEB)

    Stellwag, B. [Framatome ANP GmbH, Erlangen (Germany); Staudt, U. [VGB PowerTech e.V., Essen (Germany)


    As visual examinations carried out in 1994 detected cracks in a German boiling water reactor (BWR) plant due to intergranular stress corrosion cracking in core shroud components manufactured from Nb-stabilized CrNi steel 1.4550, safety-related assessments and in-service inspections were subsequently performed for the other six German BWRs. No cracks were found in the core shrouds of these plants. The second major event in the early 1990s was the detection of cracks at various German BWRs in piping systems made of Ti-stabilized CrNi steel 1.4541 caused by thermal sensitization in the heat-affected zone of welds. Comprehensive investigations resulted in a number of remedial measures (repair, replacement) implemented at piping in contact with reactor coolant of temperatures above 200 C. Thanks to the remedial measures and according to the analyses performed, cracking in the components in question due to the considered damage mechanisms need not be expected. German operators have therefore continued operating their BWR plants on normal water chemistry with an oxidizing environment. As a precaution, more stringent reactor coolant quality requirements have been specified and the limiting values of VGB Guideline R 401 J revised. This paper gives an overview of the trends in chemistry parameters at German BWR plants in the past 10 years. In addition, other relevant experience gained from the German BWR plants operating under normal water chemistry conditions is outlined: dose rates and collective doses, fuel performance, and results of periodic in-service inspections of major components of the reactor system. In the nearly 10 years of plant operation since implementation of the remedial measures, no cracks or other indications have been detected in any of the systems and components concerned. (orig.)

  8. Developing an online chemistry laboratory for non-chemistry majors (United States)

    Poole, Jacqueline H.

    Distance education, also known as online learning, is student-centered/self-directed educational opportunities. This style of learning is expanding in scope and is increasingly being accepted throughout the academic curriculum as a result of its flexibility for the student as well as the cost-effectiveness for the institution. Nevertheless, the introduction of online science courses including chemistry and physics have lagged behind due to the challenge of re-creation of the hands-on laboratory learning experience. This dissertation looks at the effectiveness of the design of a series of chemistry laboratory experiments for possible online delivery that provide students with simulated hands-on experiences. One class of college Chemistry 101 students conducted chemistry experiments inside and outside of the physical laboratory using instructions on Blackboard and Late Nite Labs(TM). Learning outcomes measured by (a) pretests, (b) written laboratory reports, (c) posttest assessments, (d) student reactions as determined by a questionnaire, and (e) a focus group interview were utilized to compare both types of laboratory experiences. The research findings indicated learning outcomes achieved by students outside of the traditional physical laboratory were statistically greater than the equivalent face-to-face instruction in the traditional laboratory. Evidence from student reactions comparing both types of laboratory formats (online and traditional face-to-face) indicated student preference for the online laboratory format. The results are an initial contribution to the design of a complete sequence of experiments that can be performed independently by online students outside of the traditional face-to-face laboratory that will satisfy the laboratory requirement for the two-semester college Chemistry 101 laboratory course.

  9. IV. Health physics and chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Garden, N.B.; Moyer, B.J.


    This report describes progress on the development of equipment and techniques to accomplish the goal of control and trapping of radioactive sustances. Emphasis is on simplicity reproducibiolity, and universal use. Also illustrated is the Health Chemistry Organization set-up of personnel.

  10. 2001 Chemistry N abel Prize

    Indian Academy of Sciences (India)

    Parkinson's disease (Box 8). Thus, the spectacular success of this L-DOPA synthesis has significantly contributed to the explosive growth of research aimed at the development and application of other catalytic asymmetric reactions in ensuing years. In 1980, the other 2001 Chemistry Nobel Laureate, Noyori discovered the ...

  11. Superheavy element chemistry at GARIS

    Directory of Open Access Journals (Sweden)

    Haba Hiromitsu


    Full Text Available A gas-jet transport system has been installed to the RIKEN GAs-filled Recoil Ion Separator, GARIS to start up SuperHeavy Element (SHE chemistry. This system is a promising approach for exploring new frontiers in SHE chemistry: background radioactivities from unwanted by-products are suppressed, a high gas-jet transport yield is achieved, and new chemical reactions can be investigated. Useful radioisotopes of 261Rfa,b, 262Db, and 265Sga,b for chemical studies were produced in the reactions of 248Cm(18O,5n261Rfa,b, 248Cm(19F,5n262Db, and 248Cm(22Ne,5n265Sga,b, respectively. They were successfully extracted to a chemistry laboratory by the gas-jet method. Production and decay properties of 261Rfa,b, 262Db, and 265Sga,b were investigated in detail with the rotating wheel apparatus for α- and spontaneous fission spectrometry. Present status and perspectives of the SHE chemistry at GARIS are also briefly presented.

  12. Botany, Chemistry, and Tropical Development. (United States)

    Headrick, Daniel R.


    Examines the role played by botany and chemistry in the development, exploitation, and later deterioration of tropical economies. Although near equals in 19th-century international trade, the development of synthetics by European scientists in the early 20th century crippled the tropical economies. Research, innovation, and investment protected…

  13. and Second-Year Chemistry

    African Journals Online (AJOL)


    E-mail: Received 30 May 2013, revised 25 June 2013, accepted 28 June 2013. ABSTRACT. This paper uses multivariate analysis to estimate the impact of educational interventions in the first-year academic development chemistry courses on students' final course marks. The cohorts for seven ...

  14. Surface chemistry in three dimensions

    DEFF Research Database (Denmark)

    Bollinger, Mikkel; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet


    the usual single surface ('2D') process because indirect adsorbate-adsorbate interactions in the transition state are absent in the '3D' case. The prospects for STM-induced single molecule chemistry and for '3D' catalysts are discussed. (C) 2000 Elsevier Science B.V. All rights reserved....

  15. Organic chemistry in Titan's atmosphere (United States)

    Scattergood, T.


    Laboratory photochemical simulations and other types of chemical simulations are discussed. The chemistry of methane, which is the major known constituent of Titan's atmosphere was examined with stress on what can be learned from photochemistry and particle irradiation. The composition of dust that comprises the haze layer was determined. Isotope fractionation in planetary atmospheres is also discussed.

  16. Ullmann's Encyclopedia of Industrial Chemistry. (United States)

    Chadwick, Sharon S.


    This review compares "Ullmann's Encyclopedia of Industrial Chemistry" with the "Kirk-Othmer Encyclopedia of Chemical Technology," two prominent encyclopedias of chemical technology and industry. Cost, quantity of information, organization, illustrations, authorship, abbreviations, online availability, and content of articles are discussed. (MES)

  17. South African Journal of Chemistry

    African Journals Online (AJOL)

    The journal publishes short communications, full research papers and review articles in all branches of chemistry. Other websites associated with this journal: Vol 70 (2017). DOWNLOAD FULL TEXT Open Access DOWNLOAD FULL TEXT Subscription or Fee Access. Table of Contents.

  18. Plasma chemistry and organic synthesis (United States)

    Tezuka, M.


    The characteristic features of chemical reactions using low temperature plasmas are described and differentiated from those seen in other reaction systems. A number of examples of applications of plasma chemistry to synthetic reactions are mentioned. The production of amino acids by discharge reactions in hydrocarbon-ammonia-water systems is discussed, and its implications for the origins of life are mentioned.

  19. Teaching Techniques in Clinical Chemistry. (United States)

    Wilson, Diane

    This master's thesis presents several instructional methods and techniques developed for each of eleven topics or subject areas in clinical chemistry: carbohydrate metabolism, lipid metabolism, diagnostic enzymology, endocrinology, toxicology, quality control, electrolytes, acid base balance, hepatic function, nonprotein nitrogenous compounds, and…

  20. Electron Driven Chemistry In Microreactors

    NARCIS (Netherlands)

    Agiral, A.


    This thesis describes the development of novel process windows by the combination of atmospheric pressure plasmas with microreaction technology. In the first chapter, recent literature on microreactor technology and non-equilibirum microplasma chemistry is discussed. The focus is on microplasmas in

  1. Chemistry Perfumes Your Daily Life (United States)

    Fortineau, Anne-Dominique


    A synopsis on the history of perfumery is presented, along with the various processes accessible for obtaining natural perfume constituents, and creation of synthetic chemicals. The important contribution of organic chemists in the invention of perfumes, aspects of fragrance chemistry, and general information on the perfume industry are…

  2. Green chemistry for chemical synthesis (United States)

    Li, Chao-Jun; Trost, Barry M.


    Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize by-products, designing new synthetic schemes and apparati that can simplify operations in chemical productions, and seeking greener solvents that are inherently environmentally and ecologically benign. PMID:18768813

  3. Solid State and Materials Chemistry

    Indian Academy of Sciences (India)


    It gives us immense pleasure to present this Special Issue of the Proceedings of the Indian. Academy of Sciences (Chemical Sciences) to mark the Silver Jubilee of the Solid State and Structural Chemistry Unit (SSCU), Indian Institute of Science, Bangalore. This Unit was created by Professor C N R Rao, FRS, at the Institute ...

  4. Modern Trends in Inorganic Chemistry

    Indian Academy of Sciences (India)


    Chemical. Sciences) is based on 18 papers presented at the Ninth Symposium on Modern Trends in. Inorganic Chemistry (MTIC-IX) held during 12–14 December 2001 at the Indian. Association for the Cultivation of Science, Kolkata. We have also ...

  5. Supramolecular chemistry and crystal engineering

    Indian Academy of Sciences (India)

    Advances in supramolecular chemistry and crystal engineering reported from India within the last decade are highlighted in the categories of new intermolecular interactions, designed supramolecular architectures, network structures, multi-component host-guest systems, cocrystals, and polymorphs. Understanding ...

  6. Chemistry of high temperature superconductors

    CERN Document Server


    This review volume contains the most up-to-date articles on the chemical aspects of high temperature oxide superconductors. These articles are written by some of the leading scientists in the field and includes a comprehensive list of references. This is an essential volume for researchers working in the fields of ceramics, materials science and chemistry.

  7. The aqueous chemistry of oxides

    CERN Document Server

    Bunker, Bruce C


    The Aqueous Chemistry of Oxides is a comprehensive reference volume and special topics textbook that explores all of the major chemical reactions that take place between oxides and aqueous solutions. The book highlights the enormous impact that oxide-water reactions have in advanced technologies, materials science, geochemistry, and environmental science.

  8. Supramolecular chemistry and crystal engineering

    Indian Academy of Sciences (India)

    Advances in supramolecular chemistry and crystal engineering reported from India within the last decade are highlighted in the categories of new intermolecular interactions, designed supramolecular architectures, network structures, multi-component host–guest systems, cocrys- tals, and polymorphs. Understanding ...

  9. Educational benefits of green chemistry (United States)

    Desmond, Serenity; Ray, Christian; Andino Martínez, José G.


    In this article, we present our current state of affairs in the "greening" of general chemistry laboratories, at the University of Illinois at Urbana-Champaign. We recognize the need to quantify our environmental mark and what we plan to do to continue to strive to make our work more sustainable and educational.

  10. Analytical Chemistry of Perfluoroalkylated Substances

    NARCIS (Netherlands)

    de Voogt, P.; Saez Ribas, M.


    Polyfluorinated alkylated substances have recently gainedscientific interest because they have been found to be present in appreciable concentrations in human serum, in surface waters, and in tissues of wildlife from remote areas. The developments in analytical chemistry of these mainly neutral or

  11. Organometallic chemistry of chiral diphosphazane ligands ...

    Indian Academy of Sciences (India)


    Organometallic chemistry of chiral diphosphazane ligands: Synthesis and structural characterisation. KANNAN RAGHURAMAN, SWADHIN K MANDAL,. T S VENKATAKRISHNAN, SETHARAMPATTU S. KRISHNAMURTHY* and MUNIRATHINAM NETHAJI. Department of Inorganic and Physical Chemistry, Indian Institute of ...

  12. Undergraduate chemistry education: a workshop summary

    National Research Council Canada - National Science Library

    Sawyer, Keegan; Alper, Joe


    "Undergraduate Chemistry Education is the summary of a workshop convened in May 2013 by the Chemical Science Roundtable of the National Research Council to explore the current state of undergraduate chemistry education...

  13. Halogen Chemistry in the CMAQ Model (United States)

    Halogens (iodine and bromine) emitted from oceans alter atmospheric chemistry and influence atmospheric ozone mixing ratio. We previously incorporated a representation of detailed halogen chemistry and emissions of organic and inorganic halogen species into the hemispheric Commun...

  14. Radiation chemistry and its application

    Energy Technology Data Exchange (ETDEWEB)

    Majima, Tetsuro [Osaka Univ., Osaka (Japan)


    Effects of radiation to human body have been seriously discussed nowadays. These are important issues for the realization of sustainable society. It should be emphasized that various reactive intermediates generated by radiation play important roles in each cases. Radiation chemical studies will provide various reaction-mechanistic aspects on these important issues. Our research group has continuously carried out reaction-mechanistic studies using radiation chemical methods. From these studies, we have obtained a variety of results on basic molecular systems, reactions, materials that are close to practical application, biological systems and so on. Reactive species are generated from the radiation reactions in solution, and can be used as one-electron oxidative and reductive reagent to give selectively radical cation and anion of solute molecules such as various organic and inorganic molecules. Therefore, the radiation chemistry has contributed significantly to chemistry in which one-electron oxidation and reduction play the important role. The kinetics of such redox processes and the following reduction play the important role. The kinetics of such redox processes and the following reactions can be studied in real time with the transition absorption measurement by the pulse radiolysis technique. Even though the target compounds cannot be oxidized and reduced in chemical or electrochemical oxidation and reduction, their one-electron redox can be performed by the electron beam radiation. Therefore, radiation chemistry is very useful technique for basic science. Moreover, application potentials of radiation chemistry are so high for various research subjects. Moreover, application potentials of radiation chemistry are so high for various research subjects.

  15. Eleventh international symposium on radiopharmaceutical chemistry

    Energy Technology Data Exchange (ETDEWEB)



    This document contains abstracts of papers which were presented at the Eleventh International Symposium on Radiopharmaceutical Chemistry. Sessions included: radiopharmaceuticals for the dopaminergic system, strategies for the production and use of labelled reactive small molecules, radiopharmaceuticals for measuring metabolism, radiopharmaceuticals for the serotonin and sigma receptor systems, labelled probes for molecular biology applications, radiopharmaceuticals for receptor systems, radiopharmaceuticals utilizing coordination chemistry, radiolabelled antibodies, radiolabelling methods for small molecules, analytical techniques in radiopharmaceutical chemistry, and analytical techniques in radiopharmaceutical chemistry.

  16. Environmental Chemistry Update (United States)


    111 pg, leading to a body fat concentration of about 40 ppt (12). Lithium Battery AdvancesRechargeable Power SourceRecent advances in lithium ion battery technology may allow these devices to become the rechargeable power source of choice in electric cars of the future. Due to their high voltage, they can store a large amount of energy per given mass or volume of battery. In the past, however, such batteries have been somewhat impractical because they had to be hermetically sealed and required nonaqueous electrolytes due to lithium's violent reaction with water. In the newly developed battery, the electrolyte is water that already contains a high concentration of Li+ ions; elemental lithium (present as LiMn2O4 in one electrode) is unreactive in this medium unless an external connection to the other electrode is made (13). Air-Pollution Control for Power PlantsA process called SNOX, which removes both NOx and SO2 from the flue gases produced by coal-fired power plants, has been developed and demonstrated. The nitrogen oxides are first reduced to N2. The resulting gas is then heated and catalytically oxidized to sulfur trioxide, which is then hydrated to sulfuric acid. More than 90% of the NOx and SO2 were removed from the flue gases in the demonstration held at an Ohio Edison plant (14). Literature Cited Williams, D. Nature 1994, 371, 556. Emsley, J. New Scientist 1994, (Oct 1), 14. McMichael, A. J. American Journal of Epidemiology 1994, 140, 489-499. Chemical and Engineering News 1994, (Oct 10), 5. Santee, M. L. Science 1995, 267, 849-852. Chemical and Engineering News 1994, (Nov 14). Solomon, S. Journal of Geophysical Research 1994, 99, 20491-20499. Wennberg, P. O. Science 1994, 266, 398-404. Viggiano, A. A. Science 1995, 267, 82-84. Summary in Chemistry and Engineering News 1995, (Jan 9), 23. Schottler, S. P.; Eisenreich, S. J. Environmental Science and Technology 1994, 28, 2228-2232. Lang, L. Environmental Health Perspectives 1993, 101, 578-583. Chemical and

  17. DanceChemistry: Helping Students Visualize Chemistry Concepts through Dance Videos (United States)

    Tay, Gidget C.; Edwards, Kimberly D.


    A visual aid teaching tool, the DanceChemistry video series, has been developed to teach fundamental chemistry concepts through dance. These educational videos portray chemical interactions at the molecular level using dancers to represent chemical species. Students reported that the DanceChemistry videos helped them visualize chemistry ideas in a…

  18. Moving Chemistry Education into 3D: A Tetrahedral Metaphor for Understanding Chemistry (United States)

    Mahaffy, Peter


    A new conceptual metaphor is proposed to enrich the description of chemistry education and support the many existing efforts to help students make connections with the chemistry found in textbooks. A widely used metaphor for chemistry education takes the shape of a planar triangle that highlights three thinking levels in learning chemistry such as…

  19. The Journal of Kitchen Chemistry: A Tool for Instructing the Preparation of a Chemistry Journal Article (United States)

    Meyers, Jonathan K.; LeBaron, Tyler W.; Collins, David C.


    Writing assignments are typically incorporated into chemistry courses in an attempt to enhance the learning of chemistry or to teach technical writing to chemistry majors. This work addresses the development of chemistry-major writing skills by focusing on the rigorous guidelines and conventions associated with the preparation of a journal…


    Careers in chemistry and chemistry related fields can be very rewarding and enriching. Being an environmental chemist for a government agency requires a broad background in the field of chemistry. A knowledge of the operation of several analytical and preparatory instruments is...

  1. Reaction-Map of Organic Chemistry (United States)

    Murov, Steven


    The Reaction-Map of Organic Chemistry lists all the most commonly studied reactions in organic chemistry on one page. The discussed Reaction-Map will act as another learning aide for the students, making the study of organic chemistry much easier.

  2. Supplemental Instruction in Physical Chemistry I (United States)

    Toby, Ellen; Scott, Timothy P.; Migl, David; Kolodzeji, Elizabeth


    Physical chemistry I at Texas A&M University is an upper division course requiring mathematical and analytical skills. As such, this course poses a major problem for many Chemistry, Engineering, Biochemistry and Genetics majors. Comparisons between participants and non-participants in Supplemental Instruction for physical chemistry were made…

  3. 42 CFR 493.931 - Routine chemistry. (United States)


    ... 42 Public Health 5 2010-10-01 2010-10-01 false Routine chemistry. 493.931 Section 493.931 Public... Proficiency Testing Programs by Specialty and Subspecialty § 493.931 Routine chemistry. (a) Program content and frequency of challenge. To be approved for proficiency testing for routine chemistry, a program...

  4. 42 CFR 493.929 - Chemistry. (United States)


    ... 42 Public Health 5 2010-10-01 2010-10-01 false Chemistry. 493.929 Section 493.929 Public Health... Proficiency Testing Programs by Specialty and Subspecialty § 493.929 Chemistry. The subspecialties under the specialty of chemistry for which a proficiency testing program may offer proficiency testing are routine...

  5. Journal of Applied Chemistry and Agricultural Research

    African Journals Online (AJOL)

    JACAR is a learned journal devoted to the publication of high quality articles in all areas of Agricultural Sciences and Applied Chemistry. Applied Chemistry manuscripts should be restricted to corrosion of materials, environmental chemistry and water quality (pollution studies), physico-chemical properties of naturally ...

  6. Recent Advances in Bio-inorganic Chemistry

    Indian Academy of Sciences (India)


    Recent Advances in Bio-inorganic Chemistry. FOREWORD. Bio-inorganic chemistry has developed rapidly in recent years. A number of laboratories in India have made significant contributions to this area. The motivation in bringing out this special issue on Bio-inorganic. Chemistry is to highlight the recent work emerging ...

  7. Diversity and Periodicity: An Inorganic Chemistry Module. (United States)

    Huheey, James

    This book is one in a series of Interdisciplinary Approaches to Chemistry (IAC) designed to help students discover that chemistry is a lively science and actively used to pursue solutions to the important problems of today. It is expected for students to see how chemistry takes place continuously all around and to readily understand the daily…

  8. Undergraduate Chemistry Education: A Workshop Summary (United States)

    Sawyer, Keegan; Alper, Joe


    "Undergraduate Chemistry Education" is the summary of a workshop convened in May 2013 by the Chemical Science Roundtable of the National Research Council to explore the current state of undergraduate chemistry education. Research and innovation in undergraduate chemistry education has been done for many years, and one goal of this…

  9. Modern Analytical Chemistry in the Contemporary World (United States)

    Šíma, Jan


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

  10. Microsphere Assemblies via Phosphonate Monoester Coordination Chemistry. (United States)

    Bladek, Kamila J; Reid, Margaret E; Nishihara, Hirotomo; Akhtar, Farid; Gelfand, Benjamin S; Shimizu, George K H


    By complexing a bent phosphonate monoester ligand with cobalt(II), coupled with in situ ester hydrolysis, coordination microspheres (CALS=CALgary Sphere) are formed whereas the use of the phosphonic acid directly resulted in a sheet-like structure. Manipulation of the synthetic conditions gave spheres with different sizes, mechanical stabilities, and porosities. Time-dependent studies determined that the sphere formation likely occurred through the formation of a Co 2+ and ligand chain that propagates in three dimensions through different sets of interactions. The relative rates of these assembly processes versus annealing by ester hydrolysis and metal dehydration determine the growth of the microspheres. Hardness testing by nanoindentation is carried out on the spheres and sheets. Notably, no templates or capping agents are employed, the growth of the spheres is intrinsic to the ligand geometry and the coordination chemistry of cobalt(II) and the phosphonate monoester. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Atmospheric Chemistry of Micrometeoritic Organic Compounds (United States)

    Kress, M. E.; Belle, C. L.; Pevyhouse, A. R.; Iraci, L. T.


    Micrometeorites approx.100 m in diameter deliver most of the Earth s annual accumulation of extraterrestrial material. These small particles are so strongly heated upon atmospheric entry that most of their volatile content is vaporized. Here we present preliminary results from two sets of experiments to investigate the fate of the organic fraction of micrometeorites. In the first set of experiments, 300 m particles of a CM carbonaceous chondrite were subject to flash pyrolysis, simulating atmospheric entry. In addition to CO and CO2, many organic compounds were released, including functionalized benzenes, hydrocarbons, and small polycyclic aromatic hydrocarbons. In the second set of experiments, we subjected two of these compounds to conditions that simulate the heterogeneous chemistry of Earth s upper atmosphere. We find evidence that meteor-derived compounds can follow reaction pathways leading to the formation of more complex organic compounds.

  12. Chemistry and Materials Science Strategic Plan

    Energy Technology Data Exchange (ETDEWEB)

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


    performance under extreme conditions--Fundamental investigations of the properties and performance of states of matter under extreme dynamic, environmental, and nanoscale conditions, with an emphasis on materials of interest to Laboratory programs and mission needs. (2) Chemistry under extreme conditions and chemical engineering to support national security programs--Insights into the chemical reactions of energetic materials in the nuclear stockpile through models of molecular response to extreme conditions of temperature and pressure, advancing a new technique for processing energetic materials by using sol-gel chemistry, providing materials for NIF optics, and furthering developments to enhance other high-power lasers. (3) Science supporting national objectives at the intersection of chemistry, materials science, and biology--Multidisciplinary research for developing new technologies to combat chemical and biological terrorism, to monitor changes in the nation's nuclear stockpile, and to enable the development and application of new physical-science-based methodologies and tools for fundamental biology studies and human health applications. (4) Applied nuclear science for human health and national security: Nuclear science research that is used to develop new methods and technologies for detecting and attributing nuclear materials, assisting Laboratory programs that require nuclear and radiochemical expertise in carrying out their missions, discovering new elements in the periodic table, and finding ways of detecting and understanding cellular response to radiation.

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

    Energy Technology Data Exchange (ETDEWEB)

    Ryan, R.R. (comp.)


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

  14. Covalent-Bond Formation via On-Surface Chemistry. (United States)

    Held, Philipp Alexander; Fuchs, Harald; Studer, Armido


    In this Review article pioneering work and recent achievements in the emerging research area of on-surface chemistry is discussed. On-surface chemistry, sometimes also called two-dimensional chemistry, shows great potential for bottom-up preparation of defined nanostructures. In contrast to traditional organic synthesis, where reactions are generally conducted in well-defined reaction flasks in solution, on-surface chemistry is performed in the cavity of a scanning probe microscope on a metal crystal under ultrahigh vacuum conditions. The metal first acts as a platform for self-assembly of the organic building blocks and in many cases it also acts as a catalyst for the given chemical transformation. Products and hence success of the reaction are directly analyzed by scanning probe microscopy. This Review provides a general overview of this chemistry highlighting advantages and disadvantages as compared to traditional reaction setups. The second part of the Review then focuses on reactions that have been successfully conducted as on-surface processes. On-surface Ullmann and Glaser couplings are addressed. In addition, cyclodehydrogenation reactions and cycloadditions are discussed and reactions involving the carbonyl functionality are highlighted. Finally, the first examples of sequential on-surface chemistry are considered in which two different functionalities are chemoselectively addressed. The Review gives an overview for experts working in the area but also offers a starting point to non-experts to enter into this exciting new interdisciplinary research field. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. The slow birth of green chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Amato, I.


    Mainstream chemistry is beginning to look at environmental chemistry as an important solution to environmental problems. This can include research into developing cleaner-burning liquid fuels, cleaning up oil spills, or developing better process methods which engender less pollution, as opposed to previous practices of detecting pollutants without preventing their release to begin with. This article discusses the progress of this chemistry discipline, describes some of the ongoing research, and describes the future for environmental chemistry. An impetus for future growth will be generational change, as young scientists in training are beginning to push faculities into creating programs for environmental chemistry.

  16. Solid state chemistry and its applications

    CERN Document Server

    West, Anthony R


    Solid State Chemistry and its Applications, 2nd Edition: Student Edition is an extensive update and sequel to the bestselling textbook Basic Solid State Chemistry, the classic text for undergraduate teaching in solid state chemistry worldwide. Solid state chemistry lies at the heart of many significant scientific advances from recent decades, including the discovery of high-temperature superconductors, new forms of carbon and countless other developments in the synthesis, characterisation and applications of inorganic materials. Looking forward, solid state chemistry will be crucial for the

  17. Ideograms for Physics and Chemistry

    CERN Document Server

    García-Risueño, Pablo; Verges, Natalia


    Ideograms (symbols that represent a word or idea) have great communicative value. They refer to concepts in a simple manner, easing the understanding of related ideas. Moreover, ideograms can simplify the often cumbersome notation used in the fields of Physics and physical Chemistry. Nonetheless only a few specific ideograms for these fields have been defined to date. In this work we propose that the scientific community follows the example of Mathematics -as well as that of oriental languages- and bestows a more important role upon ideograms. To support this thesis we propose ideograms for essential concepts in Physics and Chemistry. They are designed to be intuitive, and their goal is to make equations easier to read and understand. Our symbols are included in a publicly available Latex package (svrsymbols).

  18. Ideograms for Physics and Chemistry (United States)

    García Risueño, Pablo; Syropoulos, Apostolos; Vergés, Natàlia


    Ideograms (symbols that represent a word or idea) have great communicative value. They refer to concepts in a simple manner, easing the understanding of related ideas. Moreover, ideograms can simplify the often cumbersome notation used in the fields of Physics and physical Chemistry. Nonetheless only a few ideograms- like and - have been defined to date. In this work we propose that the scientific community follows the example of Mathematics—as well as that of oriental languages—and bestows a more important role upon ideograms. To support this thesis we propose ideograms for essential concepts in Physics and Chemistry. They are designed to be intuitive, and their goal is to make equations easier to read and understand. Our symbols are included in a publicly available [InlineEquation not available: see fulltext.]package ( svrsymbols).

  19. Green chemistry, biofuels, and biorefinery. (United States)

    Clark, James H; Luque, Rafael; Matharu, Avtar S


    In the current climate of several interrelated impending global crises, namely, climate change, chemicals, energy, and oil, the impact of green chemistry with respect to chemicals and biofuels generated from within a holistic concept of a biorefinery is discussed. Green chemistry provides unique opportunities for innovation via product substitution, new feedstock generation, catalysis in aqueous media, utilization of microwaves, and scope for alternative or natural solvents. The potential of utilizing waste as a new resource and the development of integrated facilities producing multiple products from biomass is discussed under the guise of biorefineries. Biofuels are discussed in depth, as they not only provide fuel (energy) but are also a source of feedstock chemicals. In the future, the commercial success of biofuels commensurate with consumer demand will depend on the availability of new green (bio)chemical technologies capable of converting waste biomass to fuel in a context of a biorefinery.

  20. Combining supramolecular chemistry with biology. (United States)

    Uhlenheuer, Dana A; Petkau, Katja; Brunsveld, Luc


    Supramolecular chemistry has primarily found its inspiration in biological molecules, such as proteins and lipids, and their interactions. Currently the supramolecular assembly of designed compounds can be controlled to great extent. This provides the opportunity to combine these synthetic supramolecular elements with biomolecules for the study of biological phenomena. This tutorial review focuses on the possibilities of the marriage of synthetic supramolecular architectures and biological systems. It highlights that synthetic supramolecular elements are for example ideal platforms for the recognition and modulation of proteins and cells. The unique features of synthetic supramolecular systems with control over size, shape, valency, and interaction strength allow the generation of structures fitting the demands to approach the biological problems at hand. Supramolecular chemistry has come full circle, studying the biology and its molecules which initially inspired its conception.

  1. [Research Advances in Postmortem Chemistry]. (United States)

    Han, Shun-qi; Qin, Zhi-qiang; Deng, Kai-fei; Zhang, Jian-hua; Liu, Ning-guo; Zou, Dong-hua; Li, Zheng-dong; Shao, Yu; Huang, Ping; Chen, Yi-jiu


    Postmortem chemistry is becoming more and more essential in routine forensic pathology and has made considerable progress over the past years. Biochemical analyses of vitreous humor, blood, urine and cerebrospinal fluid may provide important information in determining the cause of death or in elucidating forensic issues. Postmortem chemistry may be essential for the determination of cause of death when morphological methods (diabetes mellitus, alcoholic ketoacidosis and electrolytic disorders) cannot detect the pathophysiological changes involved in the death process. It can also provide many information in other forensic situations, including myocardial ischemia, sepsis, inflammation, infection, anaphylaxis and hormonal disturbances. The most recent relevant research advances on glucose metabolism, liver function, cardiac function, renal function, sepsis, inflammation, infection, anaphylaxis and hormonal aspect are hereby reviewed.

  2. Wood products and green chemistry


    Pizzi, Antonio


    International audience; Key message Green chemistry for and from wood has developed numerous industrial products, namely biosourced, green wood adhesives and preservatives, foams, composite matrices, laminates, hard and flexible plastics, flexible films, and abrasive grinding discs, and their number is still growing.IntroductionThis review addresses (1) the elimination of toxic aldehydes from the most common wood panel adhesive, the one based on urea, itself a natural product, (2) biosourced ...

  3. Chemistry of the outer planets (United States)

    Scattergood, Thomas W.


    Various aspects were studied of past or present chemistry in the atmospheres of the outer planets and their satellites using lab simulations. Three areas were studied: (1) organic chemistry induced by kinetically hot hydrogen atoms in the region of Jupiter's atmosphere containing the ammonia cirrus clouds; (2) the conversion of NH3 into N2 by plasmas associated with entry of meteors and other objects into the atmosphere of early Titan; and (3) the synthesis of simple hydrocarbons and HCN by lightning in mixtures containing N2, CH4, and NH3 representing the atmospheres of Titan and the outer planets. The results showed that: (1) hot H2 atoms formed from the photodissociation of NH3 in Jupiter's atmosphere could account for some of the atmospheric chemistry in the ammonia cirrus cloud region; (2) the thermalization of hot H2 atoms in atmospheres predominated by molecular H is not as rapid as predicted by elastic collision theory; (3) the net quantum loss of NH3 in the presence of a 200 fold excess of H2 is 0.02, much higher than was expected from the amount of H2 present; (4) the conversion of NH3 into N2 in plasmas associated with infalling meteors is very efficient and rapid, and could account for most of the N2 present on Titan; (5) the yields of C2H2 and HCN from lightning induced chemistry in mixtures of CH4 and N2 is consistent with quenched thermodynamic models of the discharge core; and (6) photolysis induced by the UV light emitted by the gases in the hot plasmas may account for some, if not most, of the excess production of C2H6 and the more complex hydrocarbons.

  4. Handbook of computational quantum chemistry

    CERN Document Server

    Cook, David B


    Quantum chemistry forms the basis of molecular modeling, a tool widely used to obtain important chemical information and visual images of molecular systems. Recent advances in computing have resulted in considerable developments in molecular modeling, and these developments have led to significant achievements in the design and synthesis of drugs and catalysts. This comprehensive text provides upper-level undergraduates and graduate students with an introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations.Wri

  5. Phenolics: From Chemistry to Biology


    David M. Pereira; Patrícia Valentão; José A. Pereira; Paula B. Andrade


    In recent years, few classes of natural products have received as much attention as phenolics and polyphenols. This special issue of Molecules, “Phenolics and Polyphenolics”, is a remarkable confirmation of this trend. Several aspects related to phenolics chemistry, comprising the several classes, will be discussed. In addition, the increasing interest in phenolics’ biological activities is covered, and several works addressing this matter are referred.

  6. Recent advances in cholesterol chemistry. (United States)

    Morzycki, Jacek W


    This review article presents advances in cholesterol chemistry since 2000. Various transformations (chemical, enzymatic, electrochemical, etc.) of cholesterol are presented. A special emphasis is given to cholesterol oxidation reactions, but also substitution of the 3β-hydroxyl group, addition to the C5-C6 double bond, C-H functionalization, and C-C bond forming reactions are discussed. Copyright © 2014 Elsevier Inc. All rights reserved.



    Ceroni G., Mario; Facultad de Química e Ingeniería Química, Departamento de Química Inorgánica,Universidad Nacional Mayor de San Marcos,Lima,Perú.


    This article is a literature review of the chemistry and poliselanos polysulfane. It describes the importance of these compounds, the method of production and reactivity. Este artículo es una revisión bibliográfica de la química de los polisulfanos y poliselanos. Se describe la importancia de estos compuestos, el modo de obtención y la reactividad.

  8. Materials Chemistry of Nanoultrasonic Biomedicine. (United States)

    Tang, Hailin; Zheng, Yuanyi; Chen, Yu


    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. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Green chemistry; La chimie verte

    Energy Technology Data Exchange (ETDEWEB)

    Colonna, P. [Institut National de la Recherche Agronomique, Dept. Caracterisation et Elaboration des Produits, 78 - Versailles (France)


    The depletion of world fossil fuel reserves and the involvement of greenhouse gases in the global warming has led to change the industrial and energy policies of most developed countries. The goal is now to reserve petroleum to the uses where it cannot be substituted, to implement renewable raw materials obtained from plants cultivation, and to consider the biodegradability of molecules and of manufactured objects by integrating the lifetime concept in their expected cycle of use. The green chemistry includes the design, development and elaboration of chemical products and processes with the aim of reducing or eliminating the use and generation of harmful compounds for the health and the environment, by adapting the present day operation modes of the chemical industry to the larger framework of the sustainable development. In addition to biofuels, this book reviews the applications of green chemistry in the different industrial processes in concern. Part 1 presents the diversity of the molecules coming from renewable carbon, in particular lignocellulose and the biotechnological processes. Part 2 is devoted to materials and treats of the overall available technological solutions. Part 3 focusses on functional molecules and chemical intermediates, in particular in sugar- and fats-chemistry. Part 4 treats of biofuels under the aspects of their production and use in today's technologies. The last part deals with the global approaches at the environmental and agricultural levels. (J.S.)


    Energy Technology Data Exchange (ETDEWEB)

    Thomas Orlando


    The 2010 Gordon Conference on Radiation Chemistry will present cutting edge research regarding the study of radiation-induced chemical transformations. Radiation Chemistry or 'high energy' chemistry is primarily initiated by ionizing radiation: i.e. photons or particles with energy sufficient to create conduction band electrons and 'holes', excitons, ionic and neutral free radicals, highly excited states, and solvated electrons. These transients often interact or 'react' to form products vastly different than those produced under thermal equilibrium conditions. The non-equilibrium, non-thermal conditions driving radiation chemistry exist in plasmas, star-forming regions, the outer solar system, nuclear reactors, nuclear waste repositories, radiation-based medical/clinical treatment centers and in radiation/materials processing facilities. The 2010 conference has a strong interdisciplinary flavor with focus areas spanning (1) the fundamental physics and chemistry involved in ultrafast (atto/femtosecond) energy deposition events, (2) radiation-induced processes in biology (particularly spatially resolved studies), (3) radiation-induced modification of materials at the nanoscale and cosmic ray/x-ray mediated processes in planetary science/astrochemistry. While the conference concentrates on fundamental science, topical applied areas covered will also include nuclear power, materials/polymer processing, and clinical/radiation treatment in medicine. The Conference will bring together investigators at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present work in poster format or as contributors to the Young Investigator session. The program and format provides excellent avenues to promote cross-disciplinary collaborations.

  11. Evolution of dynamic combinatorial chemistry. (United States)

    Cougnon, Fabien B L; Sanders, Jeremy K M


    Since its inception in the mid-1990s, dynamic combinatorial chemistry (DCC), the chemistry of complex systems under thermodynamic control, has proved valuable in identifying unexpected molecules with remarkable binding properties and in providing effective synthetic routes to complex species. Essentially, in this approach, one designs the experiment rather than the molecule. DCC has also provided us with insights into how some chemical systems respond to external stimuli. Using examples from the work of our laboratory and others, this Account shows how the concept of DCC, inspired by the evolution of living systems, has found an increasing range of applications in diverse areas and has evolved conceptually and experimentally. A dynamic combinatorial library (DCL) is a thermodynamically controlled mixture of interconverting species that can respond to various stimuli. The Cambridge version of dynamic combinatorial chemistry was initially inspired by the mammalian immune system and was conceived as a way to create and identify new unpredictable receptors. For example, an added template can select and stabilize a strongly binding member of the library which is then amplified at the expense of the unsuccessful library members, minimizing the free energy of the system. But researchers have exploited DCC in a variety of other ways: over the past two decades, this technique has contributed to the evolution of chemistry and to applications in the diverse fields of catalysis, fragrance release, and responsive materials. Among these applications, researchers have built intricate and well-defined architectures such as catenanes or hydrogen-bonded nanotubes, using the ability of complex chemical systems to reach a high level of organization. In addition, DCC has proved a powerful tool for the study of complex molecular networks and systems. The use of DCC is improving our understanding of chemical and biological systems. The study of folding or self-replicating macrocycles in

  12. An Aerosol Physical Chemistry Model for the Upper Troposphere (United States)

    Lin, Jin-Sheng


    This report is the final report for the Cooperative Agreement NCC2-1000. The tasks outlined in the various proposals are: (1) Development of an aerosol chemistry model; (2) Utilization of satellite measurements of trace gases along with analysis of temperatures and dynamic conditions to understand ice cloud formation, dehydration and sedimentation in the winter polar regions; (3) Comparison of the HALOE and SAGE II time dependencies of the Pinatubo aerosol decay. The publications are attached.


    Directory of Open Access Journals (Sweden)

    Natale Gaspare De Santo


    Full Text Available Bone is an important tissue for space specialists since it undergoes significant changes under microgravity conditions and its healing is slow. Bone has been considered a special tissue since the very inception of medical theories. In Akragas, Empedocles' (493-432 BC hypothesis regarding bone was that it was made of two parts earth, two parts water and four parts fire, thus marking the beginning of quantitative chemistry.

  14. Exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology. (United States)

    Ojima, Iwao


    Over the last three decades, my engagement in "fluorine chemistry" has evolved substantially because of the multidisciplinary nature of the research programs. I began my research career as a synthetic chemist in organometallic chemistry and homogeneous catalysis directed toward organic synthesis. Then, I was brought into a very unique world of "fluorine chemistry" in the end of 1970s. I started exploring the interface of fluorine chemistry and transition metal homogeneous catalysis first, which was followed by amino acids, peptides, and peptidomimetics for medicinal chemistry. Since then, I have been exploring the interfaces of fluorine chemistry and multidisciplinary fields of research involving medicinal chemistry, chemical biology, cancer biology, and molecular imaging. This perspective intends to cover my fruitful endeavor in the exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology in a chronological order to show the evolution of my research interest and strategy.

  15. Integrating Character Education Model With Spiral System In Chemistry Subject (United States)

    Hartutik; Rusdarti; Sumaryanto; Supartono


    Integrating character education is the responsibility of all subject teachers including chemistry teacher. The integration of character education is just administrative requirements so that the character changes are not measurable. The research objective 1) describing the actual conditions giving character education, 2) mapping the character integration of chemistry syllabus with a spiral system, and 3) producing syllabus and guide system integrating character education in chemistry lessons. Of the eighteen value character, each character is mapped to the material chemistry value concepts of class X and repeated the system in class XI and class XII. Spiral system integration means integrating the character values of chemistry subjects in steps from class X to XII repeatedly at different depth levels. Besides developing the syllabus, also made the integration of characters in a learning guide. This research was designed with research and development [3] with the scope of 20 chemistry teachers in Semarang. The focus of the activities is the existence of the current character study, mapping the character values in the syllabus, and assessment of the integration guides of character education. The validity test of Syllabus and Lesson Plans by experts in FGD. The data were taken with questionnaire and interviews, then processed by descriptive analysis. The result shows 1) The factual condition, in general, the teachers designed learning one-time face-to-face with the integration of more than four characters so that behaviour changes and depth of character is poorly controlled, 2) Mapping each character values focused in the syllabus. Meaning, on one or two basic competence in four or five times, face to face, enough integrated with the value of one character. In this way, there are more noticeable changes in students behaviour. Guidance is needed to facilitate the integration of character education for teachers integrating systems. Product syllabus and guidelines

  16. Moving beyond feasibility in ultrafast shock chemistry experiments (United States)

    Armstrong, Michael; Lewicki, James; Crowhurst, Jonathan; Zaug, Joseph; Radousky, Harry; Stavrou, Elissaios; Sawvel, April

    Although ultrafast hydrodynamic methods to investigate the chemistry of shocked materials on ps to ns time scales are generally mature, questions about the interpretation of such experiments remain. Most ultrafast experiments employ shock etalon methods whose interpretation depends on assumptions about the index of refraction of the shocked state. Further, although signatures for chemistry in longer time scale time-of-flight (ToF) experiments are well understood, ultrafast chemistry experiments have not typically employed ToF methods. The use of ToF methods in ultrafast experiments would enable a more straightforward connection to longer time scale data, and would generally provide more information than shock etalon methods. Finally, ultrafast experiments have not been performed over time scales greater than a few hundred of picoseconds, significantly limiting the scope of experiments to observe shocked chemistry under typical conditions at larger length scales. Here we address all of these issues by presenting data from shocked polymers obtained using both ToF and shock etalon methods, using a 1 ns pump and observation window. We compare the results of these two methods to reconcile data from these different methods and strengthen the interpretation of both types of experiment. Prepared by LLNL under Contract DE-AC52-07NA27344.

  17. Comparative Analysis of Click Chemistry Mediated Activity-Based Protein Profiling in Cell Lysates

    Directory of Open Access Journals (Sweden)

    Yinliang Yang


    Full Text Available Activity-based protein profiling uses chemical probes that covalently attach to active enzyme targets. Probes with conventional tags have disadvantages, such as limited cell permeability or steric hindrance around the reactive group. A tandem labeling strategy with click chemistry is now widely used to study enzyme targets in situ and in vivo. Herein, the probes are reacted in live cells, whereas the ensuing detection by click chemistry takes place in cell lysates. We here make a comparison of the efficiency of the activity-based tandem labeling strategy by using Cu(I-catalyzed and strain-promoted click chemistry, different ligands and different lysis conditions.

  18. Deep learning for computational chemistry. (United States)

    Goh, Garrett B; Hodas, Nathan O; Vishnu, Abhinav


    The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry. Yet almost two decades later, we are now seeing a resurgence of interest in deep learning, a machine learning algorithm based on multilayer neural networks. Within the last few years, we have seen the transformative impact of deep learning in many domains, particularly in speech recognition and computer vision, to the extent that the majority of expert practitioners in those field are now regularly eschewing prior established models in favor of deep learning models. In this review, we provide an introductory overview into the theory of deep neural networks and their unique properties that distinguish them from traditional machine learning algorithms used in cheminformatics. By providing an overview of the variety of emerging applications of deep neural networks, we highlight its ubiquity and broad applicability to a wide range of challenges in the field, including quantitative structure activity relationship, virtual screening, protein structure prediction, quantum chemistry, materials design, and property prediction. In reviewing the performance of deep neural networks, we observed a consistent outperformance against non-neural networks state-of-the-art models across disparate research topics, and deep neural network-based models often exceeded the "glass ceiling" expectations of their respective tasks. Coupled with the maturity of GPU-accelerated computing for training deep neural networks and the exponential growth of chemical data on which to train these networks on, we anticipate that deep learning algorithms will be a valuable tool for computational chemistry. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  19. Green chemistry of carbon nanomaterials. (United States)

    Basiuk, Elena V; Basiuk, Vladimir A


    The global trend of looking for more ecologically friendly, "green" techniques manifested itself in the chemistry of carbon nanomaterials. The main principles of green chemistry emphasize how important it is to avoid the use, or at least to reduce the consumption, of organic solvents for a chemical process. And it is precisely this aspect that was systematically addressed and emphasized by our research group since the very beginning of our work on the chemistry of carbon nanomaterials in early 2000s. The present review focuses on the results obtained to date on solvent-free techniques for (mainly covalent) functionalization of fullerene C60, single-walled and multi-walled carbon nanotubes (SWNTs and MWNTs, respectively), as well as nanodiamonds (NDs). We designed a series of simple and fast functionalization protocols based on thermally activated reactions with chemical compounds stable and volatile at 150-200 degrees C under reduced pressure, when not only the reactions take place at a high rate, but also excess reagents are spontaneously removed from the functionalized material, thus making its purification unnecessary. The main two classes of reagents are organic amines and thiols, including bifunctional ones, which can be used in conjunction with different forms of nanocarbons. The resulting chemical processes comprise nucleophilic addition of amines and thiols to fullerene C60 and to defect sites of pristine MWNTs, as well as direct amidation of carboxylic groups of oxidized nanotubes (mainly SWNTs) and ND. In the case of bifunctional amines and thiols, reactions of the second functional group can give rise to cross-linking effects, or be employed for further derivatization steps.

  20. Computing protein infrared spectroscopy with quantum chemistry. (United States)

    Besley, Nicholas A


    Quantum chemistry is a field of science that has undergone unprecedented advances in the last 50 years. From the pioneering work of Boys in the 1950s, quantum chemistry has evolved from being regarded as a specialized and esoteric discipline to a widely used tool that underpins much of the current research in chemistry today. This achievement was recognized with the award of the 1998 Nobel Prize in Chemistry to John Pople and Walter Kohn. As the new millennium unfolds, quantum chemistry stands at the forefront of an exciting new era. Quantitative calculations on systems of the magnitude of proteins are becoming a realistic possibility, an achievement that would have been unimaginable to the early pioneers of quantum chemistry. In this article we will describe ongoing work towards this goal, focusing on the calculation of protein infrared amide bands directly with quantum chemical methods.

  1. Physical chemistry a very short introduction

    CERN Document Server

    Atkins, Peter


    With the development of a variety of exciting new areas of research involving computational chemistry, nano- and smart materials, and applications of the recently discovered graphene, there can be no doubt that physical chemistry is a vitally important field. It is also perceived as the most daunting branch of chemistry, being necessarily grounded in physics and mathematics and drawing as it does on quantum mechanics, thermodynamics, and statistical thermodynamics. With his typical clarity and hardly a formula in sight, Peter Atkins' Very Short Introduction explores the contributions physical chemistry has made to all branches of chemistry. Providing insight into its central concepts Atkins reveals the cultural contributions physical chemistry has made to our understanding of the natural world.

  2. Sulfur Chemistry in Combustion I

    DEFF Research Database (Denmark)

    Johnsson, Jan Erik; Glarborg, Peter


    Most fossil fuels contain sulphur and also biofuels and household waste have a sulphur content. As a consequence sulphur species will often be present in combustion processes. In this paper the fate and influence of fuel sulphur species in combustion will be treated. First a description...... of the sulphur compounds in fossil fuels and the possibilities to remove them will be given. Then the combustion of sulphur species and their influence on the combustion chemistry and especially on the CO oxidation and the NOx formation will be described. Finally the in-situ removal of sulphur in the combustion...


    Energy Technology Data Exchange (ETDEWEB)

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


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

  4. The Birth of Modern Chemistry


    Rayner, Thomas Allan; Mackevica, Aiga


    Alchemy was a science practiced for more than two millennia up till the end of 18th century when it was replaced by modern chemistry, which is practiced up till this very day. The purpose of this report is to look into this shift and investigate whether this shift can be classified as a paradigm shift according to the famous philosopher Thomas Kuhn, who came up with a theory on the structure of scientific revolutions. In order to come to draw any kind of conclusions, the report...

  5. Nuclear Forensics and Radiochemistry: Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Rundberg, Robert S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)


    The chemical behavior of radioactive elements can differ from conventional wisdom because the number of atoms can be unusually small. Kinetic effects and unusual oxidation states are phenomena that make radiochemistry different from conventional analytic chemistry. The procedures developed at Los Alamos are designed to minimize these effects and provide reproducible results over a wide range of sample types. The analysis of nuclear debris has the additional complication of chemical fractionation and the incorporation of environmental contaminants. These are dealt with through the use of three component isotope ratios and the use of appropriate end members.

  6. Protostellar accretion traced with chemistry

    DEFF Research Database (Denmark)

    Frimann, Søren; Jørgensen, Jes Kristian; Padoan, Paolo


    used foranalysing the observations. Methods: Simple freeze-out andsublimation chemistry is added to the simulation, and syntheticC18O line cubes are created for a large number of simulatedprotostars. The spatial extent of C18O is measured for thesimulated protostars and compared directly to a sample...... by infall from the larger scales of the molecular cloud, anddo not include any disk physics. The discrepancy between simulation andobservations is taken as support for the necessity of disks, even indeeply embedded objects, to produce episodic accretion events ofsufficient frequency and amplitude....

  7. Advances in high temperature chemistry

    CERN Document Server

    Eyring, Leroy


    Advances in High Temperature Chemistry, Volume 2 covers the advances in the knowledge of the high temperature behavior of materials and the complex and unfamiliar characteristics of matter at high temperature. The book discusses the dissociation energies and free energy functions of gaseous monoxides; the matrix-isolation technique applied to high temperature molecules; and the main features, the techniques for the production, detection, and diagnosis, and the applications of molecular beams in high temperatures. The text also describes the chemical research in streaming thermal plasmas, as w

  8. Surface Chemistry in Nanoscale Materials

    Directory of Open Access Journals (Sweden)

    Alex V. Hamza


    Full Text Available Although surfaces or, more precisely, the surface atomic and electronic structure, determine the way materials interact with their environment, the influence of surface chemistry on the bulk of the material is generally considered to be small. However, in the case of high surface area materials such as nanoporous solids, surface properties can start to dominate the overall material behavior. This allows one to create new materials with physical and chemical properties that are no longer determined by the bulk material, but by their nanoscale architectures. Here, we discuss several examples, ranging from nanoporous gold to surface engineered carbon aerogels that demonstrate the tuneability of nanoporous solids for sustainable energy applications.

  9. Surface Chemistry in Nanoscale Materials (United States)

    Biener, Jürgen; Wittstock, Arne; Baumann, Theodore F.; Weissmüller, Jörg; Bäumer, Marcus; Hamza, Alex V.


    Although surfaces or, more precisely, the surface atomic and electronic structure, determine the way materials interact with their environment, the influence of surface chemistry on the bulk of the material is generally considered to be small. However, in the case of high surface area materials such as nanoporous solids, surface properties can start to dominate the overall material behavior. This allows one to create new materials with physical and chemical properties that are no longer determined by the bulk material, but by their nanoscale architectures. Here, we discuss several examples, ranging from nanoporous gold to surface engineered carbon aerogels that demonstrate the tuneability of nanoporous solids for sustainable energy applications.

  10. Photoredox Catalysis in Organic Chemistry (United States)


    In recent years, photoredox catalysis has come to the forefront in organic chemistry as a powerful strategy for the activation of small molecules. In a general sense, these approaches rely on the ability of metal complexes and organic dyes to convert visible light into chemical energy by engaging in single-electron transfer with organic substrates, thereby generating reactive intermediates. In this Perspective, we highlight the unique ability of photoredox catalysis to expedite the development of completely new reaction mechanisms, with particular emphasis placed on multicatalytic strategies that enable the construction of challenging carbon–carbon and carbon–heteroatom bonds. PMID:27477076

  11. Continuous Chemistry in Ice Cores

    DEFF Research Database (Denmark)

    Kjær, Helle Astrid

    on parameters involved in the study of photolysis as a source of in situ CO2. The concentration of organic substances in Greenland ice is poorly known due to their low levels and the fact that only a few studies evaluate the concentrations of specific organic compounds. Light does not penetrate deep...... depth was found as a function of wavelength. Further, by computational chemistry hybrid density functional methods (DFT), the four most common conformers of pyruvic acid were investigated in both gas, water and ice using the DFT model CAM-B3LYP with dielectric medium methods. A de rease of the energy...

  12. Nuclear techniques in analytical chemistry

    CERN Document Server

    Moses, Alfred J; Gordon, L


    Nuclear Techniques in Analytical Chemistry discusses highly sensitive nuclear techniques that determine the micro- and macro-amounts or trace elements of materials. With the increasingly frequent demand for the chemical determination of trace amounts of elements in materials, the analytical chemist had to search for more sensitive methods of analysis. This book accustoms analytical chemists with nuclear techniques that possess the desired sensitivity and applicability at trace levels. The topics covered include safe handling of radioactivity; measurement of natural radioactivity; and neutron a

  13. Protostellar accretion traced with chemistry

    DEFF Research Database (Denmark)

    Frimann, Søren; Jørgensen, Jes Kristian; Dunham, Michael M.


    . Our aim is to characterise protostellar accretion histories towards individual sources by utilising sublimation and freeze-out chemistry of CO. Methods. A sample of 24 embedded protostars are observed with the Submillimeter Array (SMA) in context of the large program "Mass Assembly of Stellar Systems...... and their Evolution with the SMA" (MASSES). The size of the C18O-emitting region, where CO has sublimated into the gas-phase, is measured towards each source and compared to the expected size of the region given the current luminosity. The SMA observations also include 1.3 mm continuum data, which are used...

  14. Surface chemistry theory and applications

    CERN Document Server

    Bikerman, J J


    Surface Chemistry Theory and Applications focuses on liquid-gas, liquid-liquid, solid-gas, solid-liquid, and solid-solid surfaces. The book first offers information on liquid-gas surfaces, including surface tension, measurement of surface tension, rate of capillarity rise, capillary attraction, bubble pressure and pore size, and surface tension and temperature. The text then ponders on liquid-liquid and solid-gas surfaces. Discussions focus on surface energy of solids, surface roughness and cleanness, adsorption of gases and vapors, adsorption hysteresis, interfacial tension, and interfacial t

  15. Advances in electron transfer chemistry

    CERN Document Server

    Mariano, Patrick S


    Advances in Electron Transfer Chemistry, Volume 4 presents the reaction mechanisms involving the movement of single electrons. This book discusses the electron transfer reactions in organic, biochemical, organometallic, and excited state systems. Organized into four chapters, this volume begins with an overview of the photochemical behavior of two classes of sulfonium salt derivatives. This text then examines the parameters that control the efficiencies for radical ion pair formation. Other chapters consider the progress in the development of parameters that control the dynamics and reaction p

  16. Plasma chemistry for inorganic materials (United States)

    Matsumoto, O.


    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.

  17. Protostellar accretion traced with chemistry

    DEFF Research Database (Denmark)

    Frimann, Søren; Jørgensen, Jes Kristian; Dunham, Michael M.


    Context. Understanding how accretion proceeds is a key question of star formation, with important implications for both the physical and chemical evolution of young stellar objects. In particular, very little is known about the accretion variability in the earliest stages of star formation. Aims....... Our aim is to characterise protostellar accretion histories towards individual sources by utilising sublimation and freeze-out chemistry of CO. Methods. A sample of 24 embedded protostars are observed with the Submillimeter Array (SMA) in context of the large program "Mass Assembly of Stellar Systems...

  18. Simplified Model for Reburning Chemistry

    DEFF Research Database (Denmark)

    Glarborg, Peter; Hansen, Stine


    In solid fuel flames, reburn-type reactions are often important for the concentrations of NOx in the near-burner region. To be able to model the nitrogen chemistry in these flames, it is necessary to have an adequate model for volatile/NO interactions. Simple models consisting of global steps...... or based on partial-equilibrium assumptions have limited predictive capabilities. Reburning models based on systematic reduction of a detailed chemical kinetic model offer a high accuracy but rely on input estimates of combustion intermediates, including free radicals. In the present work, an analytically...

  19. Eurobachelor in Chemistry - Bulgaria's Odds? [In Bulgarian

    Directory of Open Access Journals (Sweden)

    B.V. Toshev


    Full Text Available The Bachelor education in chemistry is presented in the Universities of Sofia, Plovdiv, Shumen and Blagoevgrad. The chemistry education in the University of Sofia has a long tradition. The paper examines the rules and criteria for obtaining the Eurobachelor label, developed by the European Chemistry Thematic Network (ECTN. The comparative analysis of the existing program with these European criteria shows that the eventual application of the University of Sofia for that label seems to be untimely at the present moment.

  20. Entropy driven chain effects on ligation chemistry


    Pahnke, K.; Brandt, J.; Gryn'ova, G.; Lindner, P.; Schweins, R.; Schmidt, F.G.; Lederer, A; Coote, M.L.; Barner-Kowollik, C


    We report the investigation of fundamental entropic chain effects that enable the tuning of modular ligation chemistry – for example dynamic Diels–Alder (DA) reactions in materials applications – not only classically via the chemistry of the applied reaction sites, but also via the physical and steric properties of the molecules that are being joined. Having a substantial impact on the reaction equilibrium of the reversible ligation chemistry, these effects are important when tran...

  1. Mathematical methods for physical and analytical chemistry

    CERN Document Server

    Goodson, David Z


    Mathematical Methods for Physical and Analytical Chemistry presents mathematical and statistical methods to students of chemistry at the intermediate, post-calculus level. The content includes a review of general calculus; a review of numerical techniques often omitted from calculus courses, such as cubic splines and Newton's method; a detailed treatment of statistical methods for experimental data analysis; complex numbers; extrapolation; linear algebra; and differential equations. With numerous example problems and helpful anecdotes, this text gives chemistry students the mathematical

  2. Physical Chemistry Chemical Kinetics and Reaction Mechanism

    CERN Document Server

    Trimm, Harold H


    Physical chemistry covers diverse topics, from biochemistry to materials properties to the development of quantum computers. Physical chemistry applies physics and math to problems that interest chemists, biologists, and engineers. Physical chemists use theoretical constructs and mathematical computations to understand chemical properties and describe the behavior of molecular and condensed matter. Their work involves manipulations of data as well as materials. Physical chemistry entails extensive work with sophisticated instrumentation and equipment as well as state-of-the-art computers. This

  3. Teaching social responsibility in analytical chemistry. (United States)

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


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

  4. Student academic achievement in college chemistry (United States)

    Tabibzadeh, Kiana S.

    General Chemistry is required for variety of baccalaureate degrees, including all medical related fields, engineering, and science majors. Depending on the institution, the prerequisite requirement for college level General Chemistry varies. The success rate for this course is low. The purpose of this study is to examine the factors influencing student academic achievement and retention in General Chemistry at the college level. In this study student achievement is defined by those students who earned grades of "C" or better. The dissertation contains in-depth studies on influence of Intermediate Algebra as a prerequisite compared to Fundamental Chemistry for student academic achievement and student retention in college General Chemistry. In addition the study examined the extent and manner in which student self-efficacy influences student academic achievement in college level General Chemistry. The sample for this part of the study is 144 students enrolled in first semester college level General Chemistry. Student surveys determined student self-efficacy level. The statistical analyses of study demonstrated that Fundamental Chemistry is a better prerequisite for student academic achievement and student retention. The study also found that student self-efficacy has no influence on student academic achievement. The significance of this study will be to provide data for the purpose of establishing a uniform and most suitable prerequisite for college level General Chemistry. Finally the variables identified to influence student academic achievement and enhance student retention will support educators' mission to maximize the students' ability to complete their educational goal at institutions of higher education.

  5. Presidential Green Chemistry Challenge: 2009 Academic Award (United States)

    Presidential Green Chemistry Challenge 2009 award winner, Professor Krzysztof Matyjaszewski, developed Atom Transfer Radical Polymerization to make polymers with copper catalysts and environmentally friendly reducing agents.

  6. A short textbook of colloid chemistry

    CERN Document Server

    Jirgensons, B


    A Short Textbook of Colloid Chemistry, Second Revised Edition details the factual aspect of colloid chemistry that includes the basic facts, established empirical and mathematical relationships, and practical applications. The chapters of the title are organized into two parts. In the first part, the text discusses the general concepts of colloid chemistry, such as the history and scope, basic terms, and basic methods in experiment with colloids. Part Two covers the technical aspect of colloid chemistry, such as the optical properties, electrical properties, and viscosity. The book will be of

  7. Popular Science Articles for Chemistry Teaching

    Directory of Open Access Journals (Sweden)

    Ketevan Kupatadze


    Full Text Available The presented paper reviews popular science articles (these articles are published in online magazine “The Teacher” as one of the methods of chemistry teaching. It describes which didactic principles they are in line with and how this type of articles can be used in order to kindle the interest of pupils, students and generally, the readers of other specialties, in chemistry.  The articles review the main topics of inorganic/organic chemistry, biochemistry and ecological chemistry in a simple and entertaining manner. A part of the articles is about "household" chemistry. Chemical topics are related to poetry, literature, history of chemistry or simply, to fun news. The paper delineates the structure of popular science articles and the features of engaging students. It also reviews the teachers' and students' interview results about the usage of popular science articles in chemistry teaching process. The aforementioned pedagogical study revealed that the popular science articles contain useful information not only for the students of other specialties, but also for future biologists and ecologists (having chemistry as a mandatory subject at their universities. The articles are effectively used by teachers on chemistry lessons to kindle students' interest in this subject. DOI: 

  8. Symposium on high temperature and materials chemistry

    Energy Technology Data Exchange (ETDEWEB)


    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.

  9. Polysaccharides: The “Click” Chemistry Impact

    Directory of Open Access Journals (Sweden)

    Romain Lucas


    Full Text Available Polysaccharides are complex but essential compounds utilized in many areas such as biomaterials, drug delivery, cosmetics, food chemistry or renewable energy. Modifications and functionalizations of such polymers are often necessary to achieve molecular structures of interest. In this area, the emergence of the “click” chemistry concept, and particularly the copper-catalyzed version of the Huisgen 1,3-dipolar cycloaddition reaction between terminal acetylenes and azides, had an impact on the polysaccharides chemistry. The present review summarizes the contribution of “click” chemistry in the world of polysaccharides.

  10. Green analytical chemistry--theory and practice. (United States)

    Tobiszewski, Marek; Mechlińska, Agata; Namieśnik, Jacek


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

  11. Chemistry teaching in the new degrees of Agricultural Engineering (United States)

    Arce, Augusto; Tarquis, Ana Maria; Castellanos, Maria Teresa; Requejo, Maria Isabel; Cartagena, Maria Carmen


    The academic year 2011-12 is the second one implementing Bologna process in ETSI at the subjects of Agricultural Chemistry I and Chemistry II in the new four Degrees: Graduate in Engineering and Agricultural Science, Food Engineering Graduate, Graduate Environmental and engineering Graduate in Biotechnology, for it has been necessary to design and implement new interactive methodologies in the teaching-learning process based on the use of the virtual platform of the UPM, implement new evaluation systems that promote continued participation active student and the development of educational materials to support the subjects of chemistry designed new degrees within the EEES. In addition to the above actions, an assessment test prior chemistry knowledge has been made to all students who enter into Agricultural Grades, improving laboratory practices and the comparative study of academic obtained by the students of the new grades in the subjects of chemistry during the year 2011-12 compared to the 2010-11 academic year. More than 15,000 data have showed a good correlation between the student's prior knowledge, the level test performed, test scores, the overall success rate of the course and the abandonment of the different degrees. Academic results show a higher percentage of students enrolled and presented on a greater number of passes on students enrolled in the 2011-12 academic year for students enrolled in the previous academic year. The improved results have influenced the actions taken and the level of knowledge with students entering. Finally, we propose possible solutions to fix these results in future courses, aiming to improve the degree of efficiency, success and significant absenteeism in the first year as it will condition the dropout rate of these new degrees. Acknowledgements: Proyecto de Innovación Educativa N° IE02054-11/12 UPM. 2012.

  12. The Redox Chemistry of Rainwater (United States)

    Willey, J. D.; Mullaugh, K. M.; Kieber, R. J.; Avery, B.; Mead, R. N.


    Oxidation-reduction processes affect the chemical speciation of many inorganic and organic species in rainwater. The presence and concentrations of certain reactive radicals is also critically dependent upon redox chemistry. There are many oxidants and reductants in rainwater, and hence many competing redox reactions. Measurement of both halves of a redox couple can yield important information about rainwater pe- (-log electron activity) and also identify relevant oxidants and reductants for that particular redox speciation. Several redox couples have been measured in rainwater in Wilmington, NC, USA, as well as at other locations. There are at least three relevant oxidant-reductant couples in rainwater rather than a unique pe-. Mn redox speciation responds to the molecular oxygen-water couple (pe- = 15.9 for rainwater in contact with air and pH of 4.7). Fe, Hg and the nitrate-nitrite-ammonium system appear to be controlled by the molecular oxygen-hydrogen peroxide couple, with hydrogen peroxide acting as a reductant (pe- = 9.2). Cu responds to superoxide as a reductant with molecular oxygen as an oxidant (pe- = 2.7). Direct Pt electrode measurements of redox potential in rainwater consistently yield lower redox potentials than predicted by the molecular oxygen-water couple, indicating the redox chemistry of rainwater is more complex and rainwater is less oxidizing than previously thought.

  13. Cannabinoids: occurrence and medicinal chemistry. (United States)

    Appendino, G; Chianese, G; Taglialatela-Scafati, O


    With an inventory of several hundreds secondary metabolites identified, Cannabis sativa L. (hemp) is one of the phytochemically best characterized plant species. The biomedical relevance of hemp undoubtedly underlies the wealth of data on its constituents and their biological activities, and cannabinoids, a class of unique meroterpenoids derived from the alkylation of an olivetollike alkyl resorcinol with a monoterpene unit, are the most typical constituents of Cannabis. In addition to the well-known psychotropic properties of Δ(9)-THC, cannabinoids have been reported to show potential in various fields of medicine, with the capacity to address unmet needs like the relief of chemotherapy-derived nausea and anorexia, and symptomatic mitigation of multiple sclerosis. Many of the potential therapeutic uses of cannabinoids are related to the interaction with (at least) two cannabinoid G-protein coupled receptors (CB1 and CB2). However, a number of activities, like the antibacterial or the antitumor properties are non totally dependent or fully independent from the interaction with these proteins. These pharmacological activities are particularly interesting since, in principle, they could be easily dissociated by the unwanted psychotropic effects. This review aims at giving readers a survey of the more recent advances in both phytochemistry of C. sativa, the medicinal chemistry of cannabinoids, and their distribution in plants, highlighting the impact that research in these hot fields could have for modern medicinal chemistry and pharmacology.

  14. Recent advances in azaborine chemistry. (United States)

    Campbell, Patrick G; Marwitz, Adam J V; Liu, Shih-Yuan


    The chemistry of organoboron compounds has been primarily dominated by their use as powerful reagents in synthetic organic chemistry. Recently, the incorporation of boron as part of a functional target structure has emerged as a useful way to generate diversity in organic compounds. A commonly applied strategy is the replacement of a CC unit with its isoelectronic BN unit. In particular, the BN/CC isosterism of the ubiquitous arene motif has undergone a renaissance in the past decade. The parent molecule of the 1,2-dihydro-1,2-azaborine family has now been isolated. New mono- and polycyclic B,N heterocycles have been synthesized for potential use in biomedical and materials science applications. This review is a tribute to Dewar's first synthesis of a monocyclic 1,2-dihydro-1,2-azaborine 50 years ago and discusses recent advances in the synthesis and characterization of heterocycles that contain carbon, boron, and nitrogen. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Spectroscopic study of amino acids adsorption on pyrite surface: From vacuum to solution conditions. (United States)

    Mateo-Marti, E.; Sanchez-Arenillas, M.


    We characterized the adsorption of cystine molecules among other amino acids on pyrite surface via X-ray photoelectron spectroscopy. A novel comparative analysis revealed remarkable differences with respect to molecular adsorption and surface chemistry induced by environmental conditions. Pyrite is a highly reactive surface and contains two crucial types of surface functional groups that drive molecular chemistry on the surface depending on the surrounding conditions. Therefore, the systems explored in this study hold interesting implications for supporting catalyzed prebiotic chemistry reactions.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  17. Self-Sealing Wet Chemistry Cell for Field Analysis (United States)

    Beegle, Luther W.; Soto, Juancarlos; Lasnik, James; Roark, Shane


    In most analytical investigations, there is a need to process complex field samples for the unique detection of analytes, especially when detecting low concentration organic molecules that may identify extraterrestrial life. Wet chemistry based instruments are the techniques of choice for most laboratory- based analysis of organic molecules due to several factors including less fragmentation of fragile biomarkers, and ability to concentrate target species resulting in much lower limits of detection. Development of an automated wet chemistry preparation system that can operate autonomously on Earth and is also designed to operate under Martian ambient conditions will demonstrate the technical feasibility of including wet chemistry on future missions. An Automated Sample Processing System (ASPS) has recently been developed that receives fines, extracts organics through solvent extraction, processes the extract by removing non-organic soluble species, and delivers sample to multiple instruments for analysis (including for non-organic soluble species). The key to this system is a sample cell that can autonomously function under field conditions. As a result, a self-sealing sample cell was developed that can autonomously hermetically seal fines and powder into a container, regardless of orientation of the apparatus. The cap is designed with a beveled edge, which allows the cap to be self-righted as the capping motor engages. Each cap consists of a C-clip lock ring below a crucible O-ring that is placed into a groove cut into the sample cap.

  18. Using Chemistry Teaching Aids Based Local Wisdom as an Alternative Media for Chemistry Teaching and Learning (United States)

    Priyambodo, Erfan; Wulaningrum, Safira


    Students have difficulties in relating the chemistry phenomena they learned and the life around them. It is necessary to have teaching aids which can help them to relate between chemistry with the phenomena occurred in everyday life, which is chemistry's teaching aids based on local wisdom. There are 3 teaching aids which used in chemistry…

  19. Understanding the Impact of a General Chemistry Course on Students' Transition to Organic Chemistry (United States)

    Collins-Webb, Alexandra; Jeffery, Kathleen A.; Sweeder, Ryan D.


    The move from general chemistry to organic chemistry can be a challenge for students as it often involves a transition from quantitatively-oriented to mechanistically-oriented thinking. This study found that the design of the general chemistry course can change the student experience of this transition as assessed by a reflective survey. The…

  20. Promoting Chemistry Learning through Undergraduate Work Experience in the Chemistry Lab: A Practical Approach (United States)

    Yu, Hong-Bin


    Hiring undergraduate lab assistants in chemistry departments is common in college. However, few studies have focused on promoting undergraduate chemistry learning and thinking skills through this work experience in chemistry teaching laboratories. This article discusses the strategy we implemented in the lab assistant program. The…

  1. Small-scale chemistry for a hands-on approach to chemistry ...

    African Journals Online (AJOL)

    The purpose of this study was to investigate the possibility of using a small-scale chemistry (SSC) approach as a means of performing chemistry practical activities in Ethiopian secondary schools. A total of eight experiments from two topics, electrolysis and rate of reaction, in the Ethiopian grade 11 chemistry syllabus were ...

  2. Metalloporphyrins as Oxidation Catalysts: Moving toward "Greener" Chemistry in the Inorganic Chemistry Laboratory (United States)

    Clark, Rose A.; Stock, Anne E.; Zovinka, Edward P.


    Training future chemists to be aware of the environmental impact of their work is of fundamental importance to global society. To convince chemists to embrace sustainability, the integration of green chemistry across the entire chemistry curriculum is a necessary step. This experiment expands the reach of green chemistry techniques into the…

  3. Chemistry inside an Epistemological Community Box! Discursive Exclusions and Inclusions in Swedish National Tests in Chemistry (United States)

    Ståhl, Marie; Hussénius, Anita


    This study examined the Swedish national tests in chemistry for implicit and explicit values. The chemistry subject is understudied compared to biology and physics and students view chemistry as their least interesting science subject. The Swedish national science assessments aim to support equitable and fair evaluation of students, to concretize…

  4. Cocrystal Controlled Solid-State Synthesis: A Green Chemistry Experiment for Undergraduate Organic Chemistry (United States)

    Cheney, Miranda L.; Zaworotko, Michael J.; Beaton, Steve; Singer, Robert D.


    Green chemistry has become an important area of concern for all chemists from practitioners in the pharmaceutical industry to professors and the students they teach and is now being incorporated into lectures of general and organic chemistry courses. However, there are relatively few green chemistry experiments that are easily incorporated into…

  5. Turkish Chemistry Teachers' Views about Secondary School Chemistry Curriculum: A Perspective from Environmental Education (United States)

    Icoz, Omer Faruk


    Teachers' views about environmental education (EE) have been regarded as one of the most important concerns in education for sustainability. In secondary school chemistry curriculum, there are several subjects about EE embedded in the chemistry subjects in Turkey. This study explores three chemistry teachers' views about to what extent the…

  6. [Development of clinical chemistry in the interdisciplinary area between medicine and chemistry]. (United States)

    Büttner, J


    After viewing the rise of "scientific medicine" around the middle of the previous century, it is shown how the new subject of clinical chemistry arose as an interdiscipline by the constant interaction of organic chemistry and medicine. From this historical perspective, certain conclusions are drawn that are relevant to present-day clinical chemistry.

  7. Reconsidering Learning Difficulties and Misconceptions in Chemistry: Emergence in Chemistry and Its Implications for Chemical Education (United States)

    Tümay, Halil


    Identifying students' misconceptions and learning difficulties and finding effective ways of addressing them has been one of the major concerns in chemistry education. However, the chemistry education community has paid little attention to determining discipline-specific aspects of chemistry that can lead to learning difficulties and…

  8. Assessment of Chemistry Anxiety in a Two-Year College (United States)

    McCarthy, Wanda C.; Widanski, Bozena Barbara


    Chemistry anxiety encompasses apprehension regarding learning chemistry, evaluation in chemistry courses, and fears about handling chemicals. Our goal was to ascertain the prevalence of these three types of anxiety in college students enrolled in a two-year college. In our sample, chemistry-evaluation provoked the most chemistry anxiety followed…

  9. Journal of Applied Chemistry and Agricultural Research: Submissions

    African Journals Online (AJOL)

    ... Applied Chemistry. Applied Chemistry manuscripts should be restricted to corrosion of materials, environmental chemistry and water quality (pollution studies), phyisco-chemical properties of naturally occurring products, colloid chemistry, nutritional chemistry and metallurgy. Articles must be original and written in English.

  10. Crossing Levels and Representations: The Connected Chemistry (CC1) Curriculum (United States)

    Levy, Sharona T.; Wilensky, Uri


    Connected Chemistry (named CC1 to denote Connected Chemistry Chapter 1) is a computer-based environment for learning the topics of gas laws and kinetic molecular theory in chemistry. It views chemistry from an "emergent" perspective, how macroscopic phenomena result from the interaction of many submicroscopic particles. Connected Chemistry employs…

  11. Radiation chemistry in solvent extraction: FY2010 Research

    Energy Technology Data Exchange (ETDEWEB)

    Bruce J. Mincher; Leigh R. Martin; Stephen P. Mezyk


    This report summarizes work accomplished under the Fuel Cycle Research and Development (FCR&D) program in the area of radiation chemistry during FY 2010. The tasks assigned during FY 2010 included: • Development of techniques to measure free radical reaction kinetics in the organic phase. • Initiation of an alpha-radiolysis program • Initiation of an effort to understand dose rate effects in radiation chemistry • Continued work to characterize TALSPEAK radiation chemistry Progress made on each of these tasks is reported here. Briefly, a method was developed and used to measure the kinetics of the reactions of the •NO3 radical with solvent extraction ligands in organic solution, and the method to measure •OH radical reactions under the same conditions has been designed. Rate constants for the CMPO and DMDOHEMA reaction with •NO3 radical in organic solution are reported. Alpha-radiolysis was initiated on samples of DMDOHEMA in alkane solution using He ion beam irradiation and 211At isotope irradiation. The samples are currently being analyzed for comparison to DMDOHEMA ?-irradiations using a custom-developed mass spectrometric method. Results are also reported for the radiolytic generation of nitrous acid, in ?-irradiated nitric acid. It is shown that the yield of nitrous acid is unaffected by an order-of-magnitude change in dose rate. Finally, recent results for TALSPEAK radiolysis are reported, summarizing the effects on solvent extraction efficiency due to HDEHP irradiation, and the stable products of lactic acid and DTPA irradiation. In addition, results representing increased scope are presented for the radiation chemistry program. These include an investigation of the effect of metal complexation on radical reaction kinetics using DTPA as an example, and the production of a manuscript reporting the mechanism of Cs-7SB radiolysis. The Cs-7SB work takes advantage of recent results from a current LDRD program to understand the fundamental chemistry

  12. Mussel-Inspired Materials: Self-Healing through Coordination Chemistry. (United States)

    Krogsgaard, Marie; Nue, Vicki; Birkedal, Henrik


    Improved understanding of the underwater attachment strategy of the blue mussels and other marine organisms has inspired researchers to find new routes to advanced materials. Mussels use polyphenols, such as the catechol-containing amino acid 3,4-dihydroxyphenylalanine (DOPA), to attach to surfaces. Catechols and their analogues can undergo both oxidative covalent cross-linking under alkaline conditions and take part in coordination chemistry. The former has resulted in the widespread use of polydopamine and related materials. The latter is emerging as a tool to make self-healing materials due to the reversible nature of coordination bonds. We review how mussel-inspired materials have been made with a focus on the less developed use of metal coordination and illustrate how this chemistry can be widely to make self-healing materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Synthesis of hydrogel via click chemistry for DNA electrophoresis. (United States)

    Finetti, Chiara; Sola, Laura; Elliott, Jim; Chiari, Marcella


    This work introduces a novel sieving gel for DNA electrophoresis using a classical click chemistry reaction, the copper (I)-catalyzed azide-alkyne cycloaddition (CuAAC), to cross-link functional polymer chains. The efficiency of this reaction provides, under mild conditions, hydrogels with near-ideal network connectivity and improved physical properties. Hydrogel formation via click chemistry condensation of functional polymers does not involve the use of toxic monomers and UV initiation. The performance of the new hydrogel in the separation of double stranded DNA fragments was evaluated in the 2200 TapeStation system, an analytical platform, recently introduced by Agilent that combines the advantages of CE in terms of miniaturization and automation with the simplicity of use of slab gel electrophoresis. The click gel enables addition of florescent dyes prior to electrophoresis with considerable improvement of resolution and separation efficiency over conventional cross-linked polyacrylamide gels. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Applications of reversible covalent chemistry in analytical sample preparation. (United States)

    Siegel, David


    Reversible covalent chemistry (RCC) adds another dimension to commonly used sample preparation techniques like solid-phase extraction (SPE), solid-phase microextraction (SPME), molecular imprinted polymers (MIPs) or immuno-affinity cleanup (IAC): chemical selectivity. By selecting analytes according to their covalent reactivity, sample complexity can be reduced significantly, resulting in enhanced analytical performance for low-abundance target analytes. This review gives a comprehensive overview of the applications of RCC in analytical sample preparation. The major reactions covered include reversible boronic ester formation, thiol-disulfide exchange and reversible hydrazone formation, targeting analyte groups like diols (sugars, glycoproteins and glycopeptides, catechols), thiols (cysteinyl-proteins and cysteinyl-peptides) and carbonyls (carbonylated proteins, mycotoxins). Their applications range from low abundance proteomics to reversible protein/peptide labelling to antibody chromatography to quantitative and qualitative food analysis. In discussing the potential of RCC, a special focus is on the conditions and restrictions of the utilized reaction chemistry.

  15. Atmospheric Prebiotic Chemistry and Organic Hazes (United States)

    Trainer, Melissa G.


    Earth's atmospheric composition at the time of the origin of life is not known, but it has often been suggested that chemical transformation of reactive species in the atmosphere was a significant source of pre biotic organic molecules. Experimental and theoretical studies over the past half century have shown that atmospheric synthesis can yield molecules such as amino acids and nucleobases, but these processes are very sensitive to gas composition and energy source. Abiotic synthesis of organic molecules is more productive in reduced atmospheres, yet the primitive Earth may not have been as reducing as earlier workers assumed, and recent research has reflected this shift in thinking. This work provides a survey of the range of chemical products that can be produced given a set of atmospheric conditions, with a particular focus on recent reports. Intertwined with the discussion of atmospheric synthesis is the consideration of an organic haze layer, which has been suggested as a possible ultraviolet shield on the anoxic early Earth. Since such a haze layer - if formed - would serve as a reservoir for organic molecules, the chemical composition of the aerosol should be closely examined. The results highlighted here show that a variety of products can be formed in mildly reducing or even neutral atmospheres, demonstrating that contributions of atmospheric synthesis to the organic inventory on early Earth should not be discounted. This review intends to bridge current knowledge of the range of possible atmospheric conditions in the prebiotic environment and pathways for synthesis under such conditions by examining the possible products of organic chemistry in the early atmosphere.

  16. systemic approach to teaching and learning chemistry

    African Journals Online (AJOL)


    interacting conceptual systems (“concept clusters”), in which all interrelationships are made clear, up front to ... Traditional method of teaching the above branches of chemistry is wherein a teacher presents the ... branch of Chemistry is based on some fundamentals few of which are given in the form of following basic laws:.

  17. Chocolate: A Marvelous Natural Product of Chemistry (United States)

    Tannenbaum, Ginger


    The study of chocolate, a natural product, can be beneficial for the chemistry students as they ask frequently about the relevancy of their chemistry classes. The history of chocolate, its chemical and physical changes during processing, its composition, different crystalline forms, tempering and its viscosity are discussed.

  18. The Chemistry of Modern Dental Filling Materials. (United States)

    Nicholson, John W.; Anstice, H. Mary


    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)

  19. Customized Laboratory Experience in Physical Chemistry (United States)

    Castle, Karen J.; Rink, Stephanie M.


    A new physical chemistry laboratory experience has been designed for upper-level undergraduate chemistry majors. Students customize the first 10 weeks of their laboratory experience by choosing their own set of experiments (from a manual of choices) and setting their own laboratory schedule. There are several topics presented in the accompanying…


    African Journals Online (AJOL)


    discussing nuclear power plants, nuclear weapons, fission reaction, the nucleus of the atom, and the structure of the atom as a whole. This way students realize that their chemistry class has relevance to their life and is not just a hard class that they have to take. STUDENT PROJECTS. A requirement in the chemistry class is ...

  1. Basic Chemistry for the Cement Industry. (United States)

    Turner, Mason

    This combined student workbook and instructor's guide contains nine units for inplant classes on basic chemistry for employees in the cement industry. The nine units cover the following topics: chemical basics; measurement; history of cement; atoms; bonding and chemical formulas; solids, liquids, and gases; chemistry of Portland cement…

  2. The Chemistry of Swimming Pool Maintenance (United States)

    Salter, Carl; Langhus, David L.


    The study of chemistry involved in the maintenance of a swimming pool provides a lot of chemical education to the students, including the demonstration of the importance of pH in water chemistry. The various chemical aspects hidden in the maintenance of the pool are being described.

  3. Wilhelm Ostwald, the Father of Physical Chemistry

    Indian Academy of Sciences (India)

    Wilhelm Ostwald was among the pioneers of chemistry in the early 20th century who was largely responsible for establishing physical chem- istry as an acknowledged branch of chemistry. In the early part of his research career, he investi- gated the chemical affinities of various acids and bases. Subsequently, he broadened ...

  4. Insect Pheromone-Alfa Chemistry.pptx


    Keller, Tylor


    Pheromones are substances produced as messengers that affect the behavior of other insects, animals and members of the same species. Alfa Chemistry offers a wide range of different insect pheromones that respond to control pests effectively and respectfully with the environment. Visit for more.

  5. Comparative assessment of university chemistry undergraduate ...

    African Journals Online (AJOL)

    A comparative analysis of the structure of undergraduate chemistry curricula of universities in the southwest of Nigeria with a view to establishing the relative proportion of the different areas of chemistry each curriculum accommodates. It is a qualitative research, involving content analysis with a partial quantitative analysis ...

  6. comparative assessment of university chemistry undergraduate

    African Journals Online (AJOL)


    ABSTRACT. A comparative analysis of the structure of undergraduate chemistry curricula of universities in the southwest of Nigeria with a view to establishing the relative proportion of the different areas of chemistry each curriculum accommodates. It is a qualitative research, involving content analysis with a partial ...

  7. "CHEM"opera for Chemistry Education (United States)

    Chung, Yong Hee


    "CHEM"opera is an opera blended with demonstrations of chemical reactions. It has been produced and performed twice by chemistry undergraduate students at Hallym University in South Korea. It aims to demonstrate interesting chemical reactions to chemistry students, children and the public and to facilitate their understanding of the role…

  8. South African Journal of Chemistry: Submissions

    African Journals Online (AJOL)

    Author Guidelines. Publication Policy: The South African Journal of Chemistry publishes original work in all branches of chemistry. Contributions, in English, may take the form of research articles, short communications or critical reviews. Prospective authors are invited to submit their manuscripts online at ...

  9. Impact of Amazonian deforestation on atmospheric chemistry

    NARCIS (Netherlands)

    Ganzeveld, L.N.; Lelieveld, J.


    A single-column chemistry and climate model has been used to study the impact of deforestation in the Amazon Basin on atmospheric chemistry. Over deforested areas, daytime ozone deposition generally decreases strongly except when surface wetness decreases through reduced precipitation, whereas

  10. The Future of Ethenolysis in Biobased Chemistry

    NARCIS (Netherlands)

    Spekreijse, Jurjen; Sanders, Johan P.M.; Bitter, Johannes H.; Scott, Elinor L.


    The desire to utilise biobased feedstocks and develop more sustainable chemistry poses new challenges in catalysis. A synthetically useful catalytic conversion is ethenolysis, a cross metathesis reaction with ethylene. In this Review, the state of the art of ethenolysis in biobased chemistry was

  11. Misconceptions of undergraduate chemistry teachers about ...

    African Journals Online (AJOL)


    Misconceptions of undergraduate chemistry teachers about hybridisation. R. Hanson, A. Sam, & V. Antwi. 46. Theoretical framework. Chemistry basically deals with the nature and behaviour of atoms; how they bond together to form new species, the formulae and structure of the new species as well as the forces that hold ...

  12. Organometallic Chemistry and Catalysis in Industry. (United States)

    Parshall, George W.; Putscher, Richard E.


    Traces the growth in the industrial usage of organometallic chemistry from 1950 to 1977, pointing out that this growth involved the production of commodity chemicals. Indicates that one of the early successes of organometallic chemistry was the discovery of ethylene polymerization catalysts. (JN)

  13. Organometallic chemistry in non-classical environments. (United States)

    Dyson, Paul J


    A summary of our on-going research on organometallic chemistry is provided with an emphasis on the function, reactivity and mechanisms of organometallic compounds in water, ionic liquids and in living systems. The role of organometallic compounds in both catalysis and medicinal chemistry are briefly described.

  14. Case Study: The Chemistry of Cocaine (United States)

    Dewprashad, Brahmadeo


    This column provides original articles on innovations in case study teaching, assessment of the method, as well as case studies with teaching notes. This month's case study focuses on the chemistry of cocaine to teach a number of core concepts in organic chemistry. It also requires that students read and analyze an original research paper on…

  15. Understanding Academic Performance in Organic Chemistry (United States)

    Szu, Evan; Nandagopal, Kiruthiga; Shavelson, Richard J.; Lopez, Enrique J.; Penn, John H.; Scharberg, Maureen; Hill, Geannine W.


    Successful completion of organic chemistry is a prerequisite for many graduate and professional programs in science, technology, engineering, and mathematics, yet the failure rate for this sequence of courses is notoriously high. To date, few studies have examined why some students succeed while others have difficulty in organic chemistry. This…

  16. South African Journal of Chemistry: Editorial Policies

    African Journals Online (AJOL) - Dr Edwin Mmutlane University of Johannesburg Analytical Chemistry - Professor Luke Chimuka University of the Witwatersrand - Dr Patricia Forbes University of Pretoria Inorganic Chemistry - Professor Simon Lotz

  17. A fragrant introduction to terpenoid chemistry

    National Research Council Canada - National Science Library

    Royal Society of Chemistry (Great Britain); Sell, Charles


    ... expertise, we will concentrate on the monoand sesquiterpenoids and primarily those of interest as fragrance ingredients. Higher terpenoids will be mentioned and the reader will be able to extrapolate the basic principles of terpenoid chemistry from the more detailed examples using lower terpenoids to these higher homologues. Chemistry i...

  18. Nuclear Chemistry, Science (Experimental): 5316.62. (United States)

    Williams, Russell R.

    This nuclear chemistry module includes topics on atomic structure, instability of the nucleus, detection strengths and the uses of radioactive particles. Laboratory work stresses proper use of equipment and safe handling of radioactive materials. Students with a strong mathematics background may consider this course as advanced work in chemistry.…

  19. Lower secondary school pupils’ perception of chemistry

    Directory of Open Access Journals (Sweden)

    Jiří Škoda


    Full Text Available There are a small number of research studies investigating lower secondary school pupils' attitudes toward chemistry. Existing studies focus mainly on the influence of gender on the attitudes toward chemistry. In this paper we present an investigation of the influence of gender, grade and, class and favourite subject and also an overall index of attitudes toward chemistry. The sample consisted of 379 pupils from eight lower secondary schools. The number of boys and girls was approximately similar; there were more pupils from the 8th grade and 102 pupils with chemistry as favourite subject. The measurement tool was a questionnaire with 25 Likert type items. After applying factor analysis, the items were distributed into four dimensions: The interest in chemistry, The relevance of chemistry, The future life and chemistry and The chemical experiments. The independent two-sample t-test was used for determining the diff erences among groups of categorical variables. A significant diff erence was found only in the dimension favourite subject. Pupils with chemistry as favourite subject achieved more positive attitudes. Girls achieved higher score in comparison with boys. The pupils from both grades achieved almost similar scores. Possibilities of further investigations are suggested in the conclusion.

  20. To Form a Favorable Idea of Chemistry (United States)

    Heikkinen, Henry W.


    "To confess the truth, Mrs. B., I am not disposed to form a very favorable idea of chemistry, nor do I expect to derive much entertainment from it." That 200-year-old statement by Caroline to Mrs. Bryan, her teacher, appeared on the first page of Jane Marcet's pioneering secondary school textbook, "Conversations on Chemistry". It was published 17…