Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1990-01-01

The continued development and improvement of the viscous shock layer (VSL) nonequilibrium chemistry blunt body engineering code, the incorporation in a coupled manner of radiation models into the VSL code, and the initial development of appropriate precursor models are presented.

Radiation chemistry related to nuclear power technology

NASA Astrophysics Data System (ADS)

Ishigure, Kenkichi

A brief review is given to the radiation chemical problems, especially with the emphasis on water radiolysis, in the nuclear power technology. Radiation chemistry in aqueous system is pointed out to be closely related to the problems such as corrosion of Zircaloy, the formation of insoluble corrosion products or crud, stress corrosion cracking of stainless steel in BWR and the radioactive waste managements. The results of the constant extention rate tests on sensitized 304 stainless steel under irradiation are shown, and the computer calculations were carried out to simulate the model experiments on the release of crud from the corroding surface under irradiation and also the water radiolysis in core of BWR.

Optimum Water Chemistry in radiation field buildup control

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Chien, C.

1995-03-01

Nuclear utilities continue to face the challenGE of reducing exposure of plant maintenance personnel. GE Nuclear Energy has developed the concept of Optimum Water Chemistry (OWC) to reduce the radiation field buildup and minimize the radioactive waste production. It is believed that reduction of radioactive sources and improvement of the water chemistry quality should significantly reduce both the radiation exposure and radwaste production. The most important source of radioactivity is cobalt and replacement of cobalt containing alloy in the core region as well as in the entire primary system is considered the first priority to achieve the goal of lowmore » exposure and minimized waste production. A plant specific computerized cobalt transport model has been developed to evaluate various options in a BWR system under specific conditions. Reduction of iron input and maintaining low ionic impurities in the coolant have been identified as two major tasks for operators. Addition of depleted zinc is a proven technique to reduce Co-60 in reactor water and on out-of-core piping surfaces. The effect of HWC on Co-60 transport in the primary system will also be discussed.« less

Primary water chemistry improvement for radiation exposure reduction at Japanese PWR Plants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishizawa, Eiichi

1995-03-01

Radiation exposure during the refueling outages at Japanese Pressurized Water Reactor (PWR) Plants has been gradually decreased through continuous efforts keeping the radiation dose rates at relatively low level. The improvement of primary water chemistry in respect to reduction of the radiation sources appears as one of the most important contributions to the achieved results and can be classified by the plant operation conditions as follows

Application of Radiation Chemistry to Some Selected Technological Issues Related to the Development of Nuclear Energy.

PubMed

Bobrowski, Krzysztof; Skotnicki, Konrad; Szreder, Tomasz

2016-10-01

The most important contributions of radiation chemistry to some selected technological issues related to water-cooled reactors, reprocessing of spent nuclear fuel and high-level radioactive wastes, and fuel evolution during final radioactive waste disposal are highlighted. Chemical reactions occurring at the operating temperatures and pressures of reactors and involving primary transients and stable products from water radiolysis are presented and discussed in terms of the kinetic parameters and radiation chemical yields. The knowledge of these parameters is essential since they serve as input data to the models of water radiolysis in the primary loop of light water reactors and super critical water reactors. Selected features of water radiolysis in heterogeneous systems, such as aqueous nanoparticle suspensions and slurries, ceramic oxides surfaces, nanoporous, and cement-based materials, are discussed. They are of particular concern in the primary cooling loops in nuclear reactors and long-term storage of nuclear waste in geological repositories. This also includes radiation-induced processes related to corrosion of cladding materials and copper-coated iron canisters, dissolution of spent nuclear fuel, and changes of bentonite clays properties. Radiation-induced processes affecting stability of solvents and solvent extraction ligands as well oxidation states of actinide metal ions during recycling of the spent nuclear fuel are also briefly summarized.

Step-by-Step Simulation of Radiation Chemistry Using Green Functions for Diffusion-Influenced Reactions

NASA Technical Reports Server (NTRS)

Plante, Ianik; Cucinotta, Francis A.

2011-01-01

Radiolytic species are formed approximately 1 ps after the passage of ionizing radiation through matter. After their formation, they diffuse and chemically react with other radiolytic species and neighboring biological molecules, leading to various oxidative damage. Therefore, the simulation of radiation chemistry is of considerable importance to understand how radiolytic species damage biological molecules [1]. The step-by-step simulation of chemical reactions is difficult, because the radiolytic species are distributed non-homogeneously in the medium. Consequently, computational approaches based on Green functions for diffusion-influenced reactions should be used [2]. Recently, Green functions for more complex type of reactions have been published [3-4]. We have developed exact random variate generators of these Green functions [5], which will allow us to use them in radiation chemistry codes. Moreover, simulating chemistry using the Green functions is which is computationally very demanding, because the probabilities of reactions between each pair of particles should be evaluated at each timestep [2]. This kind of problem is well adapted for General Purpose Graphic Processing Units (GPGPU), which can handle a large number of similar calculations simultaneously. These new developments will allow us to include more complex reactions in chemistry codes, and to improve the calculation time. This code should be of importance to link radiation track structure simulations and DNA damage models.

Modeling Interactions Among Turbulence, Gas-Phase Chemistry, Soot and Radiation Using Transported PDF Methods

NASA Astrophysics Data System (ADS)

Haworth, Daniel

2013-11-01

The importance of explicitly accounting for the effects of unresolved turbulent fluctuations in Reynolds-averaged and large-eddy simulations of chemically reacting turbulent flows is increasingly recognized. Transported probability density function (PDF) methods have emerged as one of the most promising modeling approaches for this purpose. In particular, PDF methods provide an elegant and effective resolution to the closure problems that arise from averaging or filtering terms that correspond to nonlinear point processes, including chemical reaction source terms and radiative emission. PDF methods traditionally have been associated with studies of turbulence-chemistry interactions in laboratory-scale, atmospheric-pressure, nonluminous, statistically stationary nonpremixed turbulent flames; and Lagrangian particle-based Monte Carlo numerical algorithms have been the predominant method for solving modeled PDF transport equations. Recent advances and trends in PDF methods are reviewed and discussed. These include advances in particle-based algorithms, alternatives to particle-based algorithms (e.g., Eulerian field methods), treatment of combustion regimes beyond low-to-moderate-Damköhler-number nonpremixed systems (e.g., premixed flamelets), extensions to include radiation heat transfer and multiphase systems (e.g., soot and fuel sprays), and the use of PDF methods as the basis for subfilter-scale modeling in large-eddy simulation. Examples are provided that illustrate the utility and effectiveness of PDF methods for physics discovery and for applications to practical combustion systems. These include comparisons of results obtained using the PDF method with those from models that neglect unresolved turbulent fluctuations in composition and temperature in the averaged or filtered chemical source terms and/or the radiation heat transfer source terms. In this way, the effects of turbulence-chemistry-radiation interactions can be isolated and quantified.

Use of radiation in preparative chemistry

NASA Technical Reports Server (NTRS)

Philipp, W. H.; Marksik, S. J.; May, C. E.; Lad, R. A.

1971-01-01

A summary and updating of previous work on the use of radiation chemistry for the preparation of pure materials are presented. Work was chiefly concerned with the reduction of metal salts in solution to the free metal using 2 MeV electrons. Metals deposited from aqueous solution are copper, silver, zinc, cadmium, thallium, tin, lead, antimony, iron, nickel, cobalt, and palladium. Dry organic solvents were evaluated for the deposition of metals based on a study involving deposition of antimony from soltions of antimony (III) chloride. The use of organic liquids for the preparation of anhydrous metal halides is also presented. Reaction mechanisms for both organic liquids and aqueous system are discussed.

High-energy radiation and polymers: A review of commercial processes and emerging applications

NASA Astrophysics Data System (ADS)

Clough, R. L.

2001-12-01

Ionizing radiation has been found to be widely applicable in modifying the structure and properties of polymers, and can be used to tailor the performance of either bulk materials or surfaces. Fifty years of research in polymer radiation chemistry has led to numerous applications of commercial and economic importance, and work remains active in the application of radiation to practical uses involving polymeric materials. This paper provides a survey of radiation-processing methods of industrial interest, ranging from technologies already commercially well established, through innovations in the active R&D stage which show exceptional promise for future commercial use. Radiation-processing technologies are discussed under the following categories: cross-linking of plastics and rubbers, curing of coatings and inks, heat-shrink products, fiber-matrix composites, chain-scission for processing control, surface modification, grafting, hydrogels, sterilization, natural product enhancement, plastics recycling, ceramic precursors, electronic property materials, ion-track membranes and lithography for microdevice production. In addition to new technological innovations utilizing conventional gamma and e-beam sources, a number of promising new applications make use of novel radiation types which include ion beams (heavy ions, light ions, highly focused microscopic beams and high-intensity pulses), soft X-rays which are focused, coherent X-rays (from a synchrotron) and e-beams which undergo scattering to generate patterns.

Active Learning Applications in the History of Chemistry: Pre-Service Chemistry Teachers' Level of Knowledge and Views

ERIC Educational Resources Information Center

Sendur, Gülten; Polat, Merve; Toku, Abdullah; Kazanci, Coskun

2014-01-01

This study aims to investigate the effects of a History and Philosophy of Chemistry-I course based on active learning applications on the level of knowledge of pre-service chemistry teachers about the history of chemistry. The views of pre-service chemistry teachers about these activities were also investigated. The study was carried out with 38…

TDPAC and β-NMR applications in chemistry and biochemistry

NASA Astrophysics Data System (ADS)

Jancso, Attila; Correia, Joao G.; Gottberg, Alexander; Schell, Juliana; Stachura, Monika; Szunyogh, Dániel; Pallada, Stavroula; Lupascu, Doru C.; Kowalska, Magdalena; Hemmingsen, Lars

2017-06-01

Time differential perturbed angular correlation (TDPAC) of γ-rays spectroscopy has been applied in chemistry and biochemistry for decades. Herein we aim to present a comprehensive review of chemical and biochemical applications of TDPAC spectroscopy conducted at ISOLDE over the past 15 years, including elucidation of metal site structure and dynamics in proteins and model systems. β-NMR spectroscopy is well established in nuclear physics, solid state physics, and materials science, but only a limited number of applications in chemistry have appeared. Current endeavors at ISOLDE advancing applications of β-NMR towards chemistry and biochemistry are presented, including the first experiment on 31Mg2+ in an ionic liquid solution. Both techniques require the production of radioisotopes combined with advanced spectroscopic instrumentation present at ISOLDE.

A simple model for molecular hydrogen chemistry coupled to radiation hydrodynamics

NASA Astrophysics Data System (ADS)

Nickerson, Sarah; Teyssier, Romain; Rosdahl, Joakim

2018-06-01

We introduce non-equilibrium molecular hydrogen chemistry into the radiation-hydrodynamics code RAMSES-RT. This is an adaptive mesh refinement grid code with radiation hydrodynamics that couples the thermal chemistry of hydrogen and helium to moment-based radiative transfer with the Eddington tensor closure model. The H2 physics that we include are formation on dust grains, gas phase formation, formation by three-body collisions, collisional destruction, photodissociation, photoionisation, cosmic ray ionisation and self-shielding. In particular, we implement the first model for H2 self-shielding that is tied locally to moment-based radiative transfer by enhancing photo-destruction. This self-shielding from Lyman-Werner line overlap is critical to H2 formation and gas cooling. We can now track the non-equilibrium evolution of molecular, atomic, and ionised hydrogen species with their corresponding dissociating and ionising photon groups. Over a series of tests we show that our model works well compared to specialised photodissociation region codes. We successfully reproduce the transition depth between molecular and atomic hydrogen, molecular cooling of the gas, and a realistic Strömgren sphere embedded in a molecular medium. In this paper we focus on test cases to demonstrate the validity of our model on small scales. Our ultimate goal is to implement this in large-scale galactic simulations.

Can radiation chemistry supply a highly efficient AO(R)P process for organics removal from drinking and waste water? A review.

PubMed

Trojanowicz, Marek; Bojanowska-Czajka, Anna; Capodaglio, Andrea G

2017-09-01

The increasing role of chemistry in industrial production and its direct and indirect impacts in everyday life create the need for continuous search and efficiency improvement of new methods for decomposition/removal of different classes of waterborne anthropogenic pollutants. This review paper addresses a highly promising class of water treatment solutions, aimed at tackling the pressing problem of emerging contaminants in natural and drinking waters and wastewater discharges. Radiation processing, a technology originating from radiation chemistry studies, has shown encouraging results in the treatment of (mainly) organic water pollution. Radiation ("high energy") processing is an additive-free technology using short-lived reactive species formed by the radiolysis of water, both oxidative and reducing, to carry out decomposition of organic pollutants. The paper illustrates the basic principles of radiolytic treatment of organic pollutants in water and wastewaters and specifically of one of its most practical implementations (electron beam processing). Application examples, highlighting the technology's strong points and operational conditions are described, and a discussion on the possible future of this technology follows.

On Study of New Progress and Application of Coordination Chemistry in Chemistry and Chemical Industry in Recent Years

NASA Astrophysics Data System (ADS)

Zhang, Yunshen

2017-12-01

Coordination chemistry refers to a branch of chemistry, and its research results are widely used in industry and people's daily life. Many edge disciplines emerge during the development, which propels the process of disciplines and technology. This paper briefly discusses new progress of coordination chemistry and its application in chemistry and chemical industry in recent years.

Chemistry Teachers' Knowledge and Application of Models

ERIC Educational Resources Information Center

Wang, Zuhao; Chi, Shaohui; Hu, Kaiyan; Chen, Wenting

2014-01-01

Teachers' knowledge and application of model play an important role in students' development of modeling ability and scientific literacy. In this study, we investigated Chinese chemistry teachers' knowledge and application of models. Data were collected through test questionnaire and analyzed quantitatively and qualitatively. The result indicated…

Chemistry and technology of radiation processed composite materials

NASA Astrophysics Data System (ADS)

Czvikovszky, T.

Composite materials of synthetics (based on monomers, oligomers and thermoplastics) and of natural polymers (wood and other fibrous cellulosics) prepared by radiation processing, offer valuable structural materials with enhanced coupling forces between the components. The applied polymer chemistry of such composites shows several common features with that of radiation grafting. E.g. the polymerization rate of oligomer-monomer mixtures in wood remains in most cases proportional to the square-root of the initiating dose-rate, just as in the simultaneous grafting, demonstrating that the chain termination kinetics remain regularly bimolecular in the corresponding dose-rate ranges. In the processing experiences of such composites, low dose requirement, easy process-control, and good technical feasibility have been found for composites of wood with oligomer-monomer mixtures, for coconut fibres with unsaturated polyesters and for pretreated wood fibre with polypropylene.

Liquid metals: fundamentals and applications in chemistry.

PubMed

Daeneke, T; Khoshmanesh, K; Mahmood, N; de Castro, I A; Esrafilzadeh, D; Barrow, S J; Dickey, M D; Kalantar-Zadeh, K

2018-04-03

Post-transition elements, together with zinc-group metals and their alloys belong to an emerging class of materials with fascinating characteristics originating from their simultaneous metallic and liquid natures. These metals and alloys are characterised by having low melting points (i.e. between room temperature and 300 °C), making their liquid state accessible to practical applications in various fields of physical chemistry and synthesis. These materials can offer extraordinary capabilities in the synthesis of new materials, catalysis and can also enable novel applications including microfluidics, flexible electronics and drug delivery. However, surprisingly liquid metals have been somewhat neglected by the wider research community. In this review, we provide a comprehensive overview of the fundamentals underlying liquid metal research, including liquid metal synthesis, surface functionalisation and liquid metal enabled chemistry. Furthermore, we discuss phenomena that warrant further investigations in relevant fields and outline how liquid metals can contribute to exciting future applications.

Finite-rate chemistry effects upon convective and radiative heating of an atmospheric entry vehicle. [reentry aerothermochemistry

NASA Technical Reports Server (NTRS)

Guillermo, P.

1975-01-01

A mathematical model of the aerothermochemical environment along the stagnation line of a planetary return spacecraft using an ablative thermal protection system was developed and solved for conditions typical of atmospheric entry from planetary missions. The model, implemented as a FORTRAN 4 computer program, was designed to predict viscous, reactive and radiative coupled shock layer structure and the resulting body heating rates. The analysis includes flow field coupling with the ablator surface, binary diffusion, coupled line and continuum radiative and equilibrium or finite rate chemistry effects. The gas model used includes thermodynamic, transport, kinetic and radiative properties of air and ablation product species, including 19 chemical species and 16 chemical reactions. Specifically, the impact of nonequilibrium chemistry effects upon stagnation line shock layer structure and body heating rates was investigated.

Considerations for the independent reaction times and step-by-step methods for radiation chemistry simulations

NASA Astrophysics Data System (ADS)

Plante, Ianik; Devroye, Luc

2017-10-01

Ionizing radiation interacts with the water molecules of the tissues mostly by ionizations and excitations, which result in the formation of the radiation track structure and the creation of radiolytic species such as H.,.OH, H2, H2O2, and e-aq. After their creation, these species diffuse and may chemically react with the neighboring species and with the molecules of the medium. Therefore radiation chemistry is of great importance in radiation biology. As the chemical species are not distributed homogeneously, the use of conventional models of homogeneous reactions cannot completely describe the reaction kinetics of the particles. Actually, many simulations of radiation chemistry are done using the Independent Reaction Time (IRT) method, which is a very fast technique to calculate radiochemical yields but which do not calculate the positions of the radiolytic species as a function of time. Step-by-step (SBS) methods, which are able to provide such information, have been used only sparsely because these are time-consuming in terms of calculation. Recent improvements in computer performance now allow the regular use of the SBS method in radiation chemistry. The SBS and IRT methods are both based on the Green's functions of the diffusion equation (GFDE). In this paper, several sampling algorithms of the GFDE and for the IRT method are presented. We show that the IRT and SBS methods are exactly equivalent for 2-particles systems for diffusion and partially diffusion-controlled reactions between non-interacting particles. We also show that the results obtained with the SBS simulation method with periodic boundary conditions are in agreement with the predictions by classical reaction kinetics theory, which is an important step towards using this method for modelling of biochemical networks and metabolic pathways involved in oxidative stress. Finally, the first simulation results obtained with the code RITRACKS (Relativistic Ion Tracks) are presented.

Computational chemistry

NASA Technical Reports Server (NTRS)

Arnold, J. O.

1987-01-01

With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

Radiation physics and chemistry of biomolecules. Recent developments

NASA Astrophysics Data System (ADS)

Spotheim-Maurizot, Melanie

2016-11-01

A chapter of the book ;Radiation chemistry. From basics to application in materials and life sciences (EDP Science, Paris, France, 2008); was devoted to the state-of-the-art in the research on ionizing radiation (IR) effects on biomolecules. An update, eight years later, seemed pertinent enough to the editors of this journal who accepted to dedicate a Special Issue to the latest developments in this area of high interest for cancer radiotherapy, nuclear workers' radioprotection and food radiosterilisation. We sincerely thank them and the authors who accepted to present reviews of their most recent work. Obviously, only a small part of the research in the fascinating domain of molecular radiobiology can be covered here. Some articles are presenting the contribution of biophysical models and computational techniques to the understanding of IR effects on molecules such as DNA and proteins, or on larger systems such as chromatin, chromosomes and even cells (Nikjoo et al., Štěpán & Davídková, Ballarini & Carante, and Nikitaki et al.). In these papers, as well as in many others, several qualities of IR are compared in order to explain the observed differences of effects. The damages induced by the low energy electrons and new techniques involved in their study are discussed in great detail (Sanche and Fromm & Boulanouar). The chemistry behind the IR induced damages (single or clustered), studied in many laboratories around the world is presented in several papers (Cadet & Wagner, Sevilla et al., Chatgilialoglu et al., and Greenberg). One of them addresses a very useful comparison between the effects of IR and UV exposure on DNA (Ravanat & Douki). The majority of the papers in this Special Issue is dealing with DNA and this reflects the real situation: damages of DNA are more studied than those of other biomolecules. This is due to the role of DNA as main support of hereditary information. Nevertheless, more and more studies are outlining the influence of epigenetic

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1990-01-01

The primary tasks during January 1990 to June 1990 have been the development and evaluation of various electron and electron-electronic energy equation models, the continued development of improved nonequilibrium radiation models for molecules and atoms, and the continued development and investigation of precursor models and their effects. In addition, work was initiated to develop a vibrational model for the viscous shock layer (VSL) nonequilibrium chemistry blunt body engineering code. Also, an effort was started associated with the effects of including carbon species, say from an ablator, in the flowfield.

SPRAI: coupling of radiative feedback and primordial chemistry in moving mesh hydrodynamics

NASA Astrophysics Data System (ADS)

Jaura, O.; Glover, S. C. O.; Klessen, R. S.; Paardekooper, J.-P.

2018-04-01

In this paper, we introduce a new radiative transfer code SPRAI (Simplex Photon Radiation in the Arepo Implementation) based on the SIMPLEX radiation transfer method. This method, originally used only for post-processing, is now directly integrated into the AREPO code and takes advantage of its adaptive unstructured mesh. Radiated photons are transferred from the sources through the series of Voronoi gas cells within a specific solid angle. From the photon attenuation, we derive corresponding photon fluxes and ionization rates and feed them to a primordial chemistry module. This gives us a self-consistent method for studying dynamical and chemical processes caused by ionizing sources in primordial gas. Since the computational cost of the SIMPLEX method does not scale directly with the number of sources, it is convenient for studying systems such as primordial star-forming haloes that may form multiple ionizing sources.

Sucrose as a dosimetric material for photon and heavy particle radiation: A review

NASA Astrophysics Data System (ADS)

Karakirova, Yordanka; Yordanov, Nicola D.

2015-05-01

The application of high-energy radiation in many areas of human activity and its harmful effects on human health makes necessary knowledge of the radiation chemistry of various materials upon exposure to high-energy radiation. Among these materials, saccharides (particularly sucrose) maintain the greatest advantage for potential radiochemistry applications. Until now, radiation chemistry studies have been conducted primarily with γ-ray irradiation; however, in the past few years there has been increased interest in the fields of radiotherapy and radiochemistry on substances irradiated with heavy particles. To this end, this review discusses the possibilities of employing sucrose as a radiation-sensitive material for the determination of absorbed doses of high-energy radiation both for emergency situations and for dosimeters used in standard applications.

Advances on Aryldiazonium Salt Chemistry Based Interfacial Fabrication for Sensing Applications.

PubMed

Cao, Chaomin; Zhang, Yin; Jiang, Cheng; Qi, Meng; Liu, Guozhen

2017-02-15

Aryldiazonium salts as coupling agents for surface chemistry have evidenced their wide applications for the development of sensors. Combined with advances in nanomaterials, current trends in sensor science and a variety of particular advantages of aryldiazonium salt chemistry in sensing have driven the aryldiazonium salt-based sensing strategies to grow at an astonishing pace. This review focuses on the advances in the use of aryldiazonium salts for modifying interfaces in sensors and biosensors during the past decade. It will first summarize the current methods for modification of interfaces with aryldiazonium salts, and then discuss the sensing applications of aryldiazonium salts modified on different transducers (bulky solid electrodes, nanomaterials modified bulky solid electrodes, and nanoparticles). Finally, the challenges and perspectives that aryldiazonium salt chemistry is facing in sensing applications are critically discussed.

Novel Concrete Chemistry Achieved with Low Dose Gamma Radiation Curing and Resistance to Neutron Activation

NASA Astrophysics Data System (ADS)

Burnham, Steven Robert

As much as 50% of ageing-related problems with concrete structures can be attributed to con-struction deficiencies at the time of placement. The most influential time affecting longevity of concrete structures is the curing phase, or commonly the initial 28 days following its placement. A novel advanced atomistic analysis of novel concrete chemistry is presented in this dissertation with the objective to improve concrete structural properties and its longevity. Based on experiments and computational models, this novel concrete chemistry is discussed in two cases: (a) concrete chemistry changes when exposed to low-dose gamma radiation in its early curing stage, thus improving its strength in a shorter period of time then curing for the conventional 28 days; (b) concrete chemistry is controlled by its atomistic components to assure strength is not reduced but that its activation due to long-term exposure to neutron flux in nuclear power plants is negligible. High dose gamma radiation is well documented as a degradation mechanism that decreases concrete's compressive strength; however, the effects of low-dose gamma radiation on the initial curing phase of concrete, having never been studied before, proved its compressive strength increases. Using a 137 Cs source, concrete samples were subjected to gamma radiation during the initial curing phase for seven, 14, and 28 days. The compressive strength after seven days is improved for gamma cured concrete by 24% and after 14 days by 76%. Concrete shows no improvement in compressive strength after 28 days of exposure to gamma radiation, showing that there is a threshold effect. Scanning Electron Microscopy is used to examine the microstructure of low-dose gamma radiation where no damage to its microstructure is found, showing no difference between gamma cured and conventionally cured concrete. Molecular dynamics modeling based on the MOPAC package is used to study how gamma radiation during the curing stage improves

Photoreconfigurable polymers for biomedical applications: chemistry and macromolecular engineering.

PubMed

Zhu, Congcong; Ninh, Chi; Bettinger, Christopher J

2014-10-13

Stimuli-responsive polymers play an important role in many biomedical technologies. Light responsive polymers are particularly desirable because the parameters of irradiated light and diverse photoactive chemistries produce a large number of combinations between functional materials and associated stimuli. This Review summarizes recent advances in utilizing photoactive chemistries in macromolecules for prospective use in biomedical applications. Special focus is granted to selection criterion when choosing photofunctional groups. Synthetic strategies to incorporate these functionalities into polymers and networks with different topologies are also highlighted herein. Prospective applications of these materials are discussed including programmable matrices for controlled release, dynamic scaffolds for tissue engineering, and functional coatings for medical devices. The article concludes by summarizing the state of the art in photoresponsive polymers for biomedical applications including current challenges and future opportunities.

Development and application of bond cleavage reactions in bioorthogonal chemistry.

PubMed

Li, Jie; Chen, Peng R

2016-03-01

Bioorthogonal chemical reactions are a thriving area of chemical research in recent years as an unprecedented technique to dissect native biological processes through chemistry-enabled strategies. However, current concepts of bioorthogonal chemistry have largely centered on 'bond formation' reactions between two mutually reactive bioorthogonal handles. Recently, in a reverse strategy, a collection of 'bond cleavage' reactions has emerged with excellent biocompatibility. These reactions have expanded our bioorthogonal chemistry repertoire, enabling an array of exciting new biological applications that range from the chemically controlled spatial and temporal activation of intracellular proteins and small-molecule drugs to the direct manipulation of intact cells under physiological conditions. Here we highlight the development and applications of these bioorthogonal cleavage reactions. Furthermore, we lay out challenges and propose future directions along this appealing avenue of research.

Fluorine Compounds and Dental Health: Applications of General Chemistry Topics

ERIC Educational Resources Information Center

Pinto, Gabriel

2009-01-01

An example about the use of everyday phenomena in teaching general chemistry is given. Students have a greater appreciation of the principles of chemistry if they can see the relevance to their lives. Fluorine compounds in dental applications (as topical or as systemic use) provide an excellent context in which to review core content of general…

A general method for the inclusion of radiation chemistry in astrochemical models.

PubMed

Shingledecker, Christopher N; Herbst, Eric

2018-02-21

In this paper, we propose a general formalism that allows for the estimation of radiolysis decomposition pathways and rate coefficients suitable for use in astrochemical models, with a focus on solid phase chemistry. Such a theory can help increase the connection between laboratory astrophysics experiments and astrochemical models by providing a means for modelers to incorporate radiation chemistry into chemical networks. The general method proposed here is targeted particularly at the majority of species now included in chemical networks for which little radiochemical data exist; however, the method can also be used as a starting point for considering better studied species. We here apply our theory to the irradiation of H 2 O ice and compare the results with previous experimental data.

Some Properties of Poly(Methyl Methacrylate) Studied by Radiation Degradation: An Interdisciplinary Student Experiment.

ERIC Educational Resources Information Center

Hill, D. J. T.; O'Donnell, J. H.

1981-01-01

Describes an interdisciplinary student experiment based upon the radiation effects on polymers, integrating some of the fundamentals of radiation chemistry, polymer chemistry, and material science. Also demonstrates how the information gained in the experiment has direct commercial application in product manufacture or processing. (CS)

Chemistry Division. Quarterly progress report for period ending June 30, 1949

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1949-09-14

Progress reports are presented for the following tasks: (1) nuclear and chemical properties of heavy elements (solution chemistry, phase rule studies); (2) nuclear and chemical properties of elements in the fission product region; (3) general nuclear chemistry; (4) radio-organic chemistry; (5) chemistry of separations processes; (6) physical chemistry and chemical physics; (7) radiation chemistry; (8) physical measurements and instrumentation; and (9) analytical chemistry. The program of the chemistry division is divided into two efforts of approximately equal weight with respect to number of personnel, chemical research, and analytical service for the Laboratory. The various research problems fall into the followingmore » classifications: (1) chemical separation processes for isolation and recovery of fissionable material, production of radioisotopes, and military applications; (2) reactor development; and (3) fundamental research.« less

CRISPR-Cas in Medicinal Chemistry: Applications and Regulatory Concerns.

PubMed

Duardo-Sanchez, Aliuska

2017-01-01

A rapid search in scientific publication's databases shows how the use of CRISPR-Cas genome editions' technique has considerably expanded, and its growing importance, in modern molecular biology. Just in pub-med platform, the search of the term gives more than 3000 results. Specifically, in Drug Discovery, Medicinal Chemistry and Chemical Biology in general CRISPR method may have multiple applications. Some of these applications are: resistance-selection studies of antimalarial lead organic compounds; investigation of druggability; development of animal models for chemical compounds testing, etc. In this paper, we offer a review of the most relevant scientific literature illustrated with specific examples of application of CRISPR technique to medicinal chemistry and chemical biology. We also present a general overview of the main legal and ethical trends regarding this method of genome editing. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

The Application of Physical Organic Chemistry to Biochemical Problems.

ERIC Educational Resources Information Center

Westheimer, Frank

1986-01-01

Presents the synthesis of the science of enzymology from application of the concepts of physical organic chemistry from a historical perspective. Summarizes enzyme and coenzyme mechanisms elucidated prior to 1963. (JM)

Art in Chemistry: Chemistry in Art. Second Edition

ERIC Educational Resources Information Center

Greenberg, Barbara R.; Patterson, Dianne

2008-01-01

This textbook integrates chemistry and art with hands-on activities and fascinating demonstrations that enable students to see and understand how the science of chemistry is involved in the creation of art. It investigates such topics as color integrated with electromagnetic radiation, atoms, and ions; paints integrated with classes of matter,…

Aerosols, Chemistry, and Radiative Forcing: A 3-D Model Analysis of Satellite and ACE-Asia data (ACMAP)

NASA Technical Reports Server (NTRS)

Chin, Mian; Ginoux, Paul; Torres, Omar; Zhao, Xue-Peng

2005-01-01

We propose a research project to incorporate a global 3-D model and satellite data into the multi-national Aerosol Characterization Experiment-Asia (ACE-Asia) mission. Our objectives are (1) to understand the physical, chemical, and optical properties of aerosols and the processes that control those properties over the Asian-Pacific region, (2) to investigate the interaction between aerosols and tropospheric chemistry, and (3) to determine the aerosol radiative forcing over the Asia-Pacific region. We will use the Georgia TecWGoddard Global Ozone Chemistry Aerosol Radiation and Transport (GOCART) model to link satellite observations and the ACE-Asia measurements. First, we will use the GOCART model to simulate aerosols and related species, and evaluate the model with satellite and in-situ observations. Second, the model generated aerosol vertical profiles and compositions will be used to validate the satellite products; and the satellite data will be used for during- and post- mission analysis. Third, we will use the model to analyze and interpret both satellite and ACE- Asia field campaign data and investigate the aerosol-chemistry interactions. Finally, we will calculate aerosol radiative forcing over the Asian-Pacific region, and assess the influence of Asian pollution in the global atmosphere. We propose a research project to incorporate a global 3-D model and satellite data into

A Radiation Chemistry Code Based on the Greens Functions of the Diffusion Equation

NASA Technical Reports Server (NTRS)

Plante, Ianik; Wu, Honglu

2014-01-01

Ionizing radiation produces several radiolytic species such as.OH, e-aq, and H. when interacting with biological matter. Following their creation, radiolytic species diffuse and chemically react with biological molecules such as DNA. Despite years of research, many questions on the DNA damage by ionizing radiation remains, notably on the indirect effect, i.e. the damage resulting from the reactions of the radiolytic species with DNA. To simulate DNA damage by ionizing radiation, we are developing a step-by-step radiation chemistry code that is based on the Green's functions of the diffusion equation (GFDE), which is able to follow the trajectories of all particles and their reactions with time. In the recent years, simulations based on the GFDE have been used extensively in biochemistry, notably to simulate biochemical networks in time and space and are often used as the "gold standard" to validate diffusion-reaction theories. The exact GFDE for partially diffusion-controlled reactions is difficult to use because of its complex form. Therefore, the radial Green's function, which is much simpler, is often used. Hence, much effort has been devoted to the sampling of the radial Green's functions, for which we have developed a sampling algorithm This algorithm only yields the inter-particle distance vector length after a time step; the sampling of the deviation angle of the inter-particle vector is not taken into consideration. In this work, we show that the radial distribution is predicted by the exact radial Green's function. We also use a technique developed by Clifford et al. to generate the inter-particle vector deviation angles, knowing the inter-particle vector length before and after a time step. The results are compared with those predicted by the exact GFDE and by the analytical angular functions for free diffusion. This first step in the creation of the radiation chemistry code should help the understanding of the contribution of the indirect effect in the

Radiation biodosimetry: applications for spaceflight

NASA Astrophysics Data System (ADS)

Blakely, W.; Miller, A.; Grace, M.; Prasanna, P.; Muderhwa, J.

The multiparametric dosimetry system that we are developing for medical radiological defense applications could be adapted for spaceflight environments. The system complements the internationally accepted cytogenetic analysis of chromosome aberrations, considered the best means of documenting radiation doses for health records. Our system consists of a dose assessment software application, a portable blood cell counter, and molecular biodosimetry using miniaturized equipment. The Biodosimetry Assessment Tool (BAT) software application calculates radiation dose based on a patient's physical signs and symptoms and blood analysis, annotates location of personnel dosimeters, displays a summary of a patient's dosimetric information to healthcare professionals, and archives the data for further use. The dry reagent centrifuge-based blood cell counter (QBC Autoread Plus, Beckon Dickinson Bioscience) measures peripheral blood lymphocytes and monocytes, which could determine radiation dose based on the kinetics of blood cell depletion. Molecular biomarkers for ionizing radiation exposure (gene expression changes, blood proteins), once dose-dependent targets are identified, optimized, and validated, will make use of miniaturized diagnostic equipment for nucleic acid sequence and antigen-based biosensor detection technologies. These radiation assessment diagnostic technologies can have dual use for other medical related applications. [The Armed Forces Radiobiology Research Institute, under work unit AFRRI-01-3, and the Defense Threat Reduction Agency, under contract GG4661, supported this research.

Radiation biodosimetry: Applications for spaceflight

NASA Astrophysics Data System (ADS)

Blakely, W. F.; Miller, A. C.; Grace, M. B.; McLeland, C. B.; Luo, L.; Muderhwa, J. M.; Miner, V. L.; Prasanna, P. G. S.

The multiparametric dosimetry system that we are developing for medical radiological defense applications could be adapted for spaceflight environments. The system complements the internationally accepted personnel dosimeters and cytogenetic analysis of chromosome aberrations, considered the best means of documenting radiation doses for health records. Our system consists of a portable hematology analyzer, molecular biodosimetry using nucleic acid and antigen-based diagnostic equipment, and a dose assessment management software application. A dry-capillary tube reagent-based centrifuge blood cell counter (QBC Autoread Plus, Beckon Dickinson Bioscience) measures peripheral blood lymphocytes and monocytes, which could determine radiation dose based on the kinetics of blood cell depletion. Molecular biomarkers for ionizing radiation exposure (gene expression changes, blood proteins) can be measured in real time using such diagnostic detection technologies as miniaturized nucleic acid sequences and antigen-based biosensors, but they require validation of dose-dependent targets and development of optimized protocols and analysis systems. The Biodosimetry Assessment Tool, a software application, calculates radiation dose based on a patient's physical signs and symptoms and blood cell count analysis. It also annotates location of personnel dosimeters, displays a summary of a patient's dosimetric information to healthcare professionals, and archives the data for further use. These radiation assessment diagnostic technologies can have dual-use applications supporting general medical-related care.

Medical Applications of Synchrotron Radiation

DOE R&D Accomplishments Database

Thomlinson, W.

1991-10-01

Ever since the first diagnostic x-ray was done in the United States on February 3, 1896, the application of ionizing radiation to the field of medicine has become increasingly important. Both in clinical medicine and basic research the use of x-rays for diagnostic imaging and radiotherapy is now widespread. Radiography, angiography, CAT and PETT scanning, mammography, and nuclear medicine are all examples of technologies developed to image the human anatomy. In therapeutic applications, both external and internal sources of radiation are applied to the battle against cancer. The development of dedicated synchrotron radiation sources has allowed exciting advances to take place in many of these applications. The new sources provide tunable, high-intensity monochromatic beams over a wide range of energies which can be tailored to specific programmatic needs. This paper surveys those areas of medical research in which synchrotron radiation facilities are actively involved.

Applications of reversible covalent chemistry in analytical sample preparation.

PubMed

Siegel, David

2012-12-07

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.

Click chemistry reactions in medicinal chemistry: applications of the 1,3-dipolar cycloaddition between azides and alkynes.

PubMed

Tron, Gian Cesare; Pirali, Tracey; Billington, Richard A; Canonico, Pier Luigi; Sorba, Giovanni; Genazzani, Armando A

2008-03-01

In recent years, there has been an ever-increasing need for rapid reactions that meet the three main criteria of an ideal synthesis: efficiency, versatility, and selectivity. Such reactions would allow medicinal chemistry to keep pace with the multitude of information derived from modern biological screening techniques. The present review describes one of these reactions, the 1,3-dipolar cycloaddition ("click-reaction") between azides and alkynes catalyzed by copper (I) salts. The simplicity of this reaction and the ease of purification of the resulting products have opened new opportunities in generating vast arrays of compounds with biological potential. The present review will outline the accomplishments of this strategy achieved so far and outline some of medicinal chemistry applications in which click-chemistry might be relevant in the future. (c) 2007 Wiley Periodicals, Inc.

Machine learning of atmospheric chemistry. Applications to a global chemistry transport model.

NASA Astrophysics Data System (ADS)

Evans, M. J.; Keller, C. A.

2017-12-01

Atmospheric chemistry is central to many environmental issues such as air pollution, climate change, and stratospheric ozone loss. Chemistry Transport Models (CTM) are a central tool for understanding these issues, whether for research or for forecasting. These models split the atmosphere in a large number of grid-boxes and consider the emission of compounds into these boxes and their subsequent transport, deposition, and chemical processing. The chemistry is represented through a series of simultaneous ordinary differential equations, one for each compound. Given the difference in life-times between the chemical compounds (mili-seconds for O(1D) to years for CH4) these equations are numerically stiff and solving them consists of a significant fraction of the computational burden of a CTM.We have investigated a machine learning approach to solving the differential equations instead of solving them numerically. From an annual simulation of the GEOS-Chem model we have produced a training dataset consisting of the concentration of compounds before and after the differential equations are solved, together with some key physical parameters for every grid-box and time-step. From this dataset we have trained a machine learning algorithm (random regression forest) to be able to predict the concentration of the compounds after the integration step based on the concentrations and physical state at the beginning of the time step. We have then included this algorithm back into the GEOS-Chem model, bypassing the need to integrate the chemistry.This machine learning approach shows many of the characteristics of the full simulation and has the potential to be substantially faster. There are a wide range of application for such an approach - generating boundary conditions, for use in air quality forecasts, chemical data assimilation systems, centennial scale climate simulations etc. We discuss our approches' speed and accuracy, and highlight some potential future directions for

Collisional-Radiative Modeling of Free-Burning Arc Plasma in Argon

DTIC Science & Technology

2013-06-01

temeratures of electrons and heavy particles was demonstrated. The plasma chemistry is important but yet just one element of the complex arc...description. Therefore, the present work is aimed at the analysis of the plasma chemistry in a way that the model enables a deeper look into the polulations... PLASMA CHEMISTRY The present study aims at analyzing the collisional and radiative processes in argon with a view toward application to non

TERA-MIR radiation: materials, generation, detection and applications III (Conference Presentation)

NASA Astrophysics Data System (ADS)

Pereira, Mauro F.

2016-10-01

This talk summarizes the achievements of COST ACTION MP1204 during the last four years. [M.F. Pereira, Opt Quant Electron 47, 815-820 (2015).]. TERA-MIR main objectives are to advance novel materials, concepts and device designs for generating and detecting THz and Mid Infrared radiation using semiconductor, superconductor, metamaterials and lasers and to beneficially exploit their common aspects within a synergetic approach. We used the unique networking and capacity-building capabilities provided by the COST framework to unify these two spectral domains from their common aspects of sources, detectors, materials and applications. We created a platform to investigate interdisciplinary topics in Physics, Electrical Engineering and Technology, Applied Chemistry, Materials Sciences and Biology and Radio Astronomy. The main emphasis has been on new fundamental material properties, concepts and device designs that are likely to open the way to new products or to the exploitation of new technologies in the fields of sensing, healthcare, biology, and industrial applications. End users are: research centres, academic, well-established and start-up Companies and hospitals. Results are presented along our main lines of research: Intersubband materials and devices with applications to fingerprint spectroscopy; Metamaterials, photonic crystals and new functionalities; Nonlinearities and interaction of radiation with matter including biomaterials; Generation and Detection based on Nitrides and Bismides. The talk is closed by indicating the future direction of the network that will remain active beyond the funding period and our expectations for future joint research.

Protein organic chemistry and applications for labeling and engineering in live-cell systems.

PubMed

Takaoka, Yousuke; Ojida, Akio; Hamachi, Itaru

2013-04-08

The modification of proteins with synthetic probes is a powerful means of elucidating and engineering the functions of proteins both in vitro and in live cells or in vivo. Herein we review recent progress in chemistry-based protein modification methods and their application in protein engineering, with particular emphasis on the following four strategies: 1) the bioconjugation reactions of amino acids on the surfaces of natural proteins, mainly applied in test-tube settings; 2) the bioorthogonal reactions of proteins with non-natural functional groups; 3) the coupling of recognition and reactive sites using an enzyme or short peptide tag-probe pair for labeling natural amino acids; and 4) ligand-directed labeling chemistries for the selective labeling of endogenous proteins in living systems. Overall, these techniques represent a useful set of tools for application in chemical biology, with the methods 2-4 in particular being applicable to crude (living) habitats. Although still in its infancy, the use of organic chemistry for the manipulation of endogenous proteins, with subsequent applications in living systems, represents a worthy challenge for many chemists. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A gist of comprehensive review of hadronic chemistry and its applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tangde, Vijay M.

20{sup th} century theories of Quantum Mechanics and Quantum Chemistry are exactly valid only when considered to represent the atomic structures. While considering the more general aspects of atomic combinations these theories fail to explain all the related experimental data from first unadulterated axiomatic principles. According to Quantum Chemistry two valence electrons should repel each other and as such there is no mathematical representation of a strong attractive forces between such valence electrons. In view of these and other insufficiencies of Quantum Chemistry, an Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustainedmore » research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures. Professor R M Santilli first formulated the iso-, geno- and hyper- mathematics [1, 2, 3, 4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli’s mathematics[3, 4, 5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6, 7, 8]. In the present discussion, a comprehensive review of Hadronic Chemistry is presented that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary, stepwise successes of Hadronic Chemistry and its application in development of a new chemical species called Magnecules.« less

Impacts of multiple applications of fertilizer on stream chemistry in the Ouachita Mountains

Treesearch

Hal O. Liechty; Jami Nettles; Stacy Wilson

2006-01-01

We have previously reported changes in stream chemistry following a late winter application of urea and diammonium phosphate to a loblolly pine (Pinus taeda L.) plantation located in a 176-ha subwatershed in the Ouachita Mountains. This stand was again fertilized with 437 kg/ha of urea in March of 2001. Water chemistry prior to, during, and after...

Plasma chemistry as a tool for green chemistry, environmental analysis and waste management.

PubMed

Mollah, M Y; Schennach, R; Patscheider, J; Promreuk, S; Cocke, D L

2000-12-15

The applications of plasma chemistry to environmental problems and to green chemistry are emerging fields that offer unique opportunities for advancement. There has been substantial progress in the application of plasmas to analytical diagnostics and to waste reduction and waste management. This review discusses the chemistry and physics necessary to a basic understanding of plasmas, something that has been missing from recent technical reviews. The current status of plasmas in environmental chemistry is summarized and emerging areas of application for plasmas are delineated. Plasmas are defined and discussed in terms of their properties that make them useful for environmental chemistry. Information is drawn from diverse fields to illustrate the potential applications of plasmas in analysis, materials modifications and hazardous waste treatments.

Multiphase chemistry in a microphysical radiation fog model—A numerical study

NASA Astrophysics Data System (ADS)

Bott, Andreas; Carmichael, Gregory R.

A microphysical radiation fog model is coupled with a detailed chemistry module to simulate chemical reactions in the gas phase and in fog water during a radiation fog event. In the chemical part of the model the microphysical particle spectrum is subdivided into three size classes corresponding to non-activated aerosol particles, small and large fog droplets. Chemical reactions in the liquid phase are separately calculated in the small and in the large droplet size class. The impact of the chemical constitution of activated aerosols on fogwater chemistry is considered in the model simulations. The mass transfer of chemical species between the gas phase and the two liquid phases is treated in detail by solving the corresponding coupled differential equation system. The model also accounts for concentration changes of gas-phase and aqueous-phase chemical species which are induced by turbulence, gravitational settling and by evaporation/condensation processes. Numerical results demonstrate that fogwater chemistry is strongly controlled by dynamic processes, i.e. the vertical growth of the fog, turbulent mixing processes and the gravitational settling of the particles. The concentrations of aqueous-phase chemical species are different in the two droplet size classes. Reactands with lower water solubility are mainly found in the large droplet size class because the characteristic time for their mass transfer from the gas phase into the liquid phase is essentially longer than the characteristic time for the formation of large fog droplets. Species with high water solubility are rapidly transferred into the small fog droplets and are then washed out by wet deposition before these particles grow further to form large droplets. Thus, the concentrations of the major ions (NO 3-, NH 4+) are much higher in small than in large droplets, yielding distinctly lower pH values of the small particles. In the present study the reaction of sulfur with H 2O 2 and the Fe

Plasma chemistry and its applications

NASA Technical Reports Server (NTRS)

Hozumi, K.

1980-01-01

The relationship between discharge phenomena and plasma chemistry, as well as the equipment and mechanisms of plasma chemical reactions are described. Various areas in which plasma chemistry is applied are surveyed, such as: manufacturing of semiconductor integrated circuits; synthetic fibers; high polymer materials for medical uses; optical lenses; and membrane filters (reverse penetration films).

Peer Mentoring in the General Chemistry and Organic Chemistry Laboratories: The Pinacol Rearrangement--An Exercise in NMR and IR Spectroscopy for General Chemistry and Organic Chemistry Laboratories

ERIC Educational Resources Information Center

Arrington, Caleb A.; Hill, Jameica B.; Radfar, Ramin; Whisnant, David M.; Bass, Charles G.

2008-01-01

This article describes a discovery experiment for general chemistry and organic chemistry labs. Although the pinacol rearrangement has been employed in undergraduate organic laboratories before, in this application organic chemistry students act as mentors to students of general chemistry. Students work together using distillation--a new technique…

Introduction to Chemistry and Applications in Nature of Mass Independent Isotope Effects Special Feature

PubMed Central

Thiemens, Mark H.

2013-01-01

Stable isotope ratio variations are regulated by physical and chemical laws. These rules depend on a relation with mass differences between isotopes. New classes of isotope variation effects that deviate from mass dependent laws, termed mass independent isotope effects, were discovered in 1983 and have a wide range of applications in basic chemistry and nature. In this special edition, new applications of these effects to physical chemistry, solar system origin models, terrestrial atmospheric and biogenic evolution, polar paleo climatology, snowball earth geology, and present day atmospheric sciences are presented. PMID:24167299

Introduction to chemistry and applications in nature of mass independent isotope effects special feature.

PubMed

Thiemens, Mark H

2013-10-29

Stable isotope ratio variations are regulated by physical and chemical laws. These rules depend on a relation with mass differences between isotopes. New classes of isotope variation effects that deviate from mass dependent laws, termed mass independent isotope effects, were discovered in 1983 and have a wide range of applications in basic chemistry and nature. In this special edition, new applications of these effects to physical chemistry, solar system origin models, terrestrial atmospheric and biogenic evolution, polar paleo climatology, snowball earth geology, and present day atmospheric sciences are presented.

Observable Signatures of Wind-driven Chemistry with a Fully Consistent Three-dimensional Radiative Hydrodynamics Model of HD 209458b

NASA Astrophysics Data System (ADS)

Drummond, B.; Mayne, N. J.; Manners, J.; Carter, A. L.; Boutle, I. A.; Baraffe, I.; Hébrard, É.; Tremblin, P.; Sing, D. K.; Amundsen, D. S.; Acreman, D.

2018-03-01

We present a study of the effect of wind-driven advection on the chemical composition of hot-Jupiter atmospheres using a fully consistent 3D hydrodynamics, chemistry, and radiative transfer code, the Met Office Unified Model (UM). Chemical modeling of exoplanet atmospheres has primarily been restricted to 1D models that cannot account for 3D dynamical processes. In this work, we couple a chemical relaxation scheme to the UM to account for the chemical interconversion of methane and carbon monoxide. This is done consistently with the radiative transfer meaning that departures from chemical equilibrium are included in the heating rates (and emission) and hence complete the feedback between the dynamics, thermal structure, and chemical composition. In this Letter, we simulate the well studied atmosphere of HD 209458b. We find that the combined effect of horizontal and vertical advection leads to an increase in the methane abundance by several orders of magnitude, which is directly opposite to the trend found in previous works. Our results demonstrate the need to include 3D effects when considering the chemistry of hot-Jupiter atmospheres. We calculate transmission and emission spectra, as well as the emission phase curve, from our simulations. We conclude that gas-phase nonequilibrium chemistry is unlikely to explain the model–observation discrepancy in the 4.5 μm Spitzer/IRAC channel. However, we highlight other spectral regions, observable with the James Webb Space Telescope, where signatures of wind-driven chemistry are more prominant.

Exploration Of `Click' Chemistry For Microelectronic Applications

NASA Astrophysics Data System (ADS)

Musa, Osama M.; Sridhar, Laxmisha M.

The ‘Click’ chemistry was explored for low temperature snap cure and for possible use as an adhesion promoter in electronic applications. Several azide and alkyne resins were synthesized and their curing potential was evaluated with a special emphasis on exploring Cu(I) catalyst effect. The preliminary curing study in the absence of catalysts showed a strong dependence of cure temperatures on the electronic nature of alkynes. The cure temperatures showed a tendency to increase with decreasing electronegativity of the substituent on alkynes. The capability of Cu(I) catalysts to accelerate the ‘Click’ chemistry was demonstrated for the first time in bulk phase. Using several Cu(I) catalysts, the cure temperatures could be lowered by as much as 40-100°C compared to the control, depending on the nature of catalyst and the catalyst loading. We discovered a novel synergistic effect between Cu(I) and silver filler in lowering the cure temperatures. Using this combination, lower cure temperatures could be obtained than using either alone. Among several resins screened, one resin system has shown promise for 80°C snap-cure in which the aforementioned synergistic effect is operative. Solution phase ‘Click’ chemistry was employed for the synthesis of a hybrid triazole-epoxy resin system. This system was found to cure without added amine curative. The triazole group here serves as a linker as well as an internal adhesion promoter. To address the incompatibility and volatility issues, which arose during evaluation, a controlled oligomerization method has been developed using controlled heating of azides and alkynes in solution phase.

RITRACKS: A Software for Simulation of Stochastic Radiation Track Structure, Micro and Nanodosimetry, Radiation Chemistry and DNA Damage for Heavy Ions

NASA Technical Reports Server (NTRS)

Plante, I; Wu, H

2014-01-01

The code RITRACKS (Relativistic Ion Tracks) has been developed over the last few years at the NASA Johnson Space Center to simulate the effects of ionizing radiations at the microscopic scale, to understand the effects of space radiation at the biological level. The fundamental part of this code is the stochastic simulation of radiation track structure of heavy ions, an important component of space radiations. The code can calculate many relevant quantities such as the radial dose, voxel dose, and may also be used to calculate the dose in spherical and cylindrical targets of various sizes. Recently, we have incorporated DNA structure and damage simulations at the molecular scale in RITRACKS. The direct effect of radiations is simulated by introducing a slight modification of the existing particle transport algorithms, using the Binary-Encounter-Bethe model of ionization cross sections for each molecular orbitals of DNA. The simulation of radiation chemistry is done by a step-by-step diffusion-reaction program based on the Green's functions of the diffusion equation]. This approach is also used to simulate the indirect effect of ionizing radiation on DNA. The software can be installed independently on PC and tablets using the Windows operating system and does not require any coding from the user. It includes a Graphic User Interface (GUI) and a 3D OpenGL visualization interface. The calculations are executed simultaneously (in parallel) on multiple CPUs. The main features of the software will be presented.

Can a coupled meteorology–chemistry model reproduce the historical trend in aerosol direct radiative effects over the Northern Hemisphere?

EPA Science Inventory

The ability of a coupled meteorology–chemistry model, i.e., Weather Research and Forecast and Community Multiscale Air Quality (WRF-CMAQ), to reproduce the historical trend in aerosol optical depth (AOD) and clear-sky shortwave radiation (SWR) over the Northern Hemisphere h...

NUCLEAR CHEMISTRY ANNUAL REPORT 1970

DOE Office of Scientific and Technical Information (OSTI.GOV)

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.

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

PubMed Central

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

2011-01-01

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

103Rh NMR spectroscopy and its application to rhodium chemistry.

PubMed

Ernsting, Jan Meine; Gaemers, Sander; Elsevier, Cornelis J

2004-09-01

Rhodium is used for a number of large processes that rely on homogeneous rhodium-catalyzed reactions, for instance rhodium-catalyzed hydroformylation of alkenes, carbonylation of methanol to acetic acid and hydrodesulfurization of thiophene derivatives (in crude oil). Many laboratory applications in organometallic chemistry and catalysis involve organorhodium chemistry and a wealth of rhodium coordination compounds is known. For these and other areas, 103Rh NMR spectroscopy appears to be a very useful analytical tool. In this review, most of the literature concerning 103Rh NMR spectroscopy published from 1989 up to and including 2003 has been covered. After an introduction to several experimental methods for the detection of the insensitive 103Rh nucleus, a discussion of factors affecting the transition metal chemical shift is given. Computational aspects and calculations of chemical shifts are also briefly addressed. Next, the application of 103Rh NMR in coordination and organometallic chemistry is elaborated in more detail by highlighting recent developments in measurement and interpretation of 103Rh NMR data, in relation to rhodium-assisted reactions and homogeneous catalysis. The dependence of the 103Rh chemical shift on the ligands at rhodium in the first coordination sphere, on the complex geometry, oxidation state, temperature, solvent and concentration is treated. Several classes of compounds and special cases such as chiral rhodium compounds are reviewed. Finally, a section on scalar coupling to rhodium is provided. 2004 John Wiley & Sons, Ltd.

Computational chemistry and aeroassisted orbital transfer vehicles

NASA Technical Reports Server (NTRS)

Cooper, D. M.; Jaffe, R. L.; Arnold, J. O.

1985-01-01

An analysis of the radiative heating phenomena encountered during a typical aeroassisted orbital transfer vehicle (AOTV) trajectory was made to determine the potential impact of computational chemistry on AOTV design technology. Both equilibrium and nonequilibrium radiation mechanisms were considered. This analysis showed that computational chemistry can be used to predict (1) radiative intensity factors and spectroscopic data; (2) the excitation rates of both atoms and molecules; (3) high-temperature reaction rate constants for metathesis and charge exchange reactions; (4) particle ionization and neutralization rates and cross sections; and (5) spectral line widths.

Chemistry Notes

ERIC Educational Resources Information Center

School Science Review, 1976

1976-01-01

Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

Radiation protection and dosimetry issues in the medical applications of ionizing radiation

NASA Astrophysics Data System (ADS)

Vaz, Pedro

2014-11-01

The technological advances that occurred during the last few decades paved the way to the dissemination of CT-based procedures in radiology, to an increasing number of procedures in interventional radiology and cardiology as well as to new techniques and hybrid modalities in nuclear medicine and in radiotherapy. These technological advances encompass the exposure of patients and medical staff to unprecedentedly high dose values that are a cause for concern due to the potential detrimental effects of ionizing radiation to the human health. As a consequence, new issues and challenges in radiological protection and dosimetry in the medical applications of ionizing radiation have emerged. The scientific knowledge of the radiosensitivity of individuals as a function of age, gender and other factors has also contributed to raising the awareness of scientists, medical staff, regulators, decision makers and other stakeholders (including the patients and the public) for the need to correctly and accurately assess the radiation induced long-term health effects after medical exposure. Pediatric exposures and their late effects became a cause of great concern. The scientific communities of experts involved in the study of the biological effects of ionizing radiation have made a strong case about the need to undertake low dose radiation research and the International System of Radiological Protection is being challenged to address and incorporate issues such as the individual sensitivities, the shape of dose-response relationship and tissue sensitivity for cancer and non-cancer effects. Some of the answers to the radiation protection and dosimetry issues and challenges in the medical applications of ionizing radiation lie in computational studies using Monte Carlo or hybrid methods to model and simulate particle transport in the organs and tissues of the human body. The development of sophisticated Monte Carlo computer programs and voxel phantoms paves the way to an accurate

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

PubMed

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

2011-04-08

The objective of this review is to provide a broad overview of the advantages and limitations of carbon-based nanomaterials with respect to analytical chemistry. Aiming to illustrate the impact of nanomaterials on the development of novel analytical applications, developments reported in the 2005-2010 period have been included and divided into sample preparation, separation, and detection. Within each section, fullerenes, carbon nanotubes, graphene, and composite materials will be addressed specifically. Although only briefly discussed, included is a section highlighting nanomaterials with interesting catalytic properties that can be used in the design of future devices for analytical chemistry. Copyright © 2011 Elsevier B.V. All rights reserved.

Surveys of research in the Chemistry Division, Argonne National Laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grazis, B.M.

1992-01-01

Research reports are presented on reactive intermediates in condensed phase (radiation chemistry, photochemistry), electron transfer and energy conversion, photosynthesis and solar energy conversion, metal cluster chemistry, chemical dynamics in gas phase, photoionization-photoelectrons, characterization and reactivity of coal and coal macerals, premium coal sample program, chemical separations, heavy elements coordination chemistry, heavy elements photophysics/photochemistry, f-electron interactions, radiation chemistry of high-level wastes (gas generation in waste tanks), ultrafast molecular electronic devices, and nuclear medicine. Separate abstracts have been prepared. Accelerator activites and computer system/network services are also reported.

Surveys of research in the Chemistry Division, Argonne National Laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grazis, B.M.

1992-11-01

Research reports are presented on reactive intermediates in condensed phase (radiation chemistry, photochemistry), electron transfer and energy conversion, photosynthesis and solar energy conversion, metal cluster chemistry, chemical dynamics in gas phase, photoionization-photoelectrons, characterization and reactivity of coal and coal macerals, premium coal sample program, chemical separations, heavy elements coordination chemistry, heavy elements photophysics/photochemistry, f-electron interactions, radiation chemistry of high-level wastes (gas generation in waste tanks), ultrafast molecular electronic devices, and nuclear medicine. Separate abstracts have been prepared. Accelerator activites and computer system/network services are also reported.

Magnetic separation: its application in mining, waste purification, medicine, biochemistry and chemistry.

PubMed

Iranmanesh, M; Hulliger, J

2017-10-02

The use of strong magnetic field gradients and high magnetic fields generated by permanent magnets or superconducting coils has found applications in many fields such as mining, solid state chemistry, biochemistry and medical research. Lab scale or industrial implementations involve separation of macro- and nanoparticles, cells, proteins, and macromolecules down to small molecules and ions. Most promising are those attempts where the object to be separated is attached to a strong magnetic nanoparticle. Here, all kinds of specific affinity interactions are used to attach magnetic carrier particles to mainly objects of biological interest. Other attempts use a strong paramagnetic suspension for the separation of purely diamagnetic objects, such as bio-macromolecules or heavy metals. The application of magnetic separation to superconducting inorganic phases is of particular interest in combination with ceramic combinatorial chemistry to generate a library of e.g. cuprate superconductors.

Tunable lasers and their application in analytical chemistry

NASA Technical Reports Server (NTRS)

Steinfeld, J. I.

1975-01-01

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

Plasmon-induced charge separation: chemistry and wide applications.

PubMed

Tatsuma, Tetsu; Nishi, Hiroyasu; Ishida, Takuya

2017-05-01

Recent development of nanoplasmonics has stimulated chemists to utilize plasmonic nanomaterials for efficient and distinctive photochemical applications, and physicists to boldly go inside the "wet" chemistry world. The discovery of plasmon-induced charge separation (PICS) has even accelerated these trends. On the other hand, some confusion is found in discussions about PICS. In this perspective, we focus on differences between PICS and some other phenomena such as co-catalysis effect and plasmonic nanoantenna effect. In addition, materials and nanostructures suitable for PICS are shown, and characteristics and features unique to PICS are documented. Although it is well known that PICS has been applied to photovoltaics and photocatalysis, here light is shed on other applications that take better advantage of PICS, such as chemical sensing and biosensing, various photochromisms, photoswitchable functionalities and nanoscale photofabrication.

Introducing chemical biology applications to introductory organic chemistry students using series of weekly assignments.

PubMed

Kanin, Maralee R; Pontrello, Jason K

2016-01-01

Calls to bring interdisciplinary content and examples into introductory science courses have increased, yet strategies that involve course restructuring often suffer from the need for a significant faculty commitment to motivate change. Minimizing the need for dramatic course reorganization, the structure, reactivity, and chemical biology applications of classes of biological monomers and polymers have been integrated into introductory organic chemistry courses through three series of semester-long weekly assignments that explored (a) Carbohydrates and Oligosaccharides, (b) Amino Acids, Peptides, and Proteins, and (c) Nucleosides, Nucleotides, and Nucleic Acids. Comparisons of unannounced pre- and post tests revealed improved understanding of a reaction introduced in the assignments, and course examinations evaluated cumulative assignment topics. Course surveys revealed that demonstrating biologically relevant applications consistently throughout the semesters enhanced student interest in the connection between basic organic chemistry content and its application to new and unfamiliar bio-related examples. Covering basic material related to these classes of molecules outside of the classroom opened lecture time to allow the instructor to further build on information developed through the weekly assignments, teaching advanced topics and applications typically not covered in an introductory organic chemistry lecture course. Assignments were implemented as homework, either with or without accompanying discussion, in both laboratory and lecture organic courses within the context of the existing course structures. © 2015 The International Union of Biochemistry and Molecular Biology.

Enviro-HIRLAM online integrated meteorology-chemistry modelling system: strategy, methodology, developments and applications (v7.2)

NASA Astrophysics Data System (ADS)

Baklanov, Alexander; Smith Korsholm, Ulrik; Nuterman, Roman; Mahura, Alexander; Pagh Nielsen, Kristian; Hansen Sass, Bent; Rasmussen, Alix; Zakey, Ashraf; Kaas, Eigil; Kurganskiy, Alexander; Sørensen, Brian; González-Aparicio, Iratxe

2017-08-01

The Environment - High Resolution Limited Area Model (Enviro-HIRLAM) is developed as a fully online integrated numerical weather prediction (NWP) and atmospheric chemical transport (ACT) model for research and forecasting of joint meteorological, chemical and biological weather. The integrated modelling system is developed by the Danish Meteorological Institute (DMI) in collaboration with several European universities. It is the baseline system in the HIRLAM Chemical Branch and used in several countries and different applications. The development was initiated at DMI more than 15 years ago. The model is based on the HIRLAM NWP model with online integrated pollutant transport and dispersion, chemistry, aerosol dynamics, deposition and atmospheric composition feedbacks. To make the model suitable for chemical weather forecasting in urban areas, the meteorological part was improved by implementation of urban parameterisations. The dynamical core was improved by implementing a locally mass-conserving semi-Lagrangian numerical advection scheme, which improves forecast accuracy and model performance. The current version (7.2), in comparison with previous versions, has a more advanced and cost-efficient chemistry, aerosol multi-compound approach, aerosol feedbacks (direct and semi-direct) on radiation and (first and second indirect effects) on cloud microphysics. Since 2004, the Enviro-HIRLAM has been used for different studies, including operational pollen forecasting for Denmark since 2009 and operational forecasting atmospheric composition with downscaling for China since 2017. Following the main research and development strategy, further model developments will be extended towards the new NWP platform - HARMONIE. Different aspects of online coupling methodology, research strategy and possible applications of the modelling system, and fit-for-purpose model configurations for the meteorological and air quality communities are discussed.

On Study of Application of Micro-reactor in Chemistry and Chemical Field

NASA Astrophysics Data System (ADS)

Zhang, Yunshen

2018-02-01

Serving as a micro-scale chemical reaction system, micro-reactor is characterized by high heat transfer efficiency and mass transfer, strictly controlled reaction time and good safety performance; compared with the traditional mixing reactor, it can effectively shorten reaction time by virtue of these advantages and greatly enhance the chemical reaction conversion rate. However, problems still exist in the process where micro-reactor is used for production in chemistry and chemical field, and relevant researchers are required to optimize and perfect the performance of micro-reactor. This paper analyzes specific application of micro-reactor in chemistry and chemical field.

LECTURES ON PHYSICS, BIOPHYSICS, AND CHEMISTRY FOR HIGH SCHOOL SCIENCE TEACHERS GIVEN AT THE ERNEST O. LAWRENCE RADIATION LABORATORY, BERKELEY, CALIFORNIA, JUNE-AUGUST 1959

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calhoon, E.C.; Starring, P.W. eds.

1959-08-01

Lectures given at the Ernest 0. Lawrence Radiation Laboratory on physics, biophysics, and chemistry for high school science teachers are presented. Topics covered include a mathematics review, atomic physics, nuclear physics, solid-state physics, elementary particles, antiparticies, design of experiments, high-energy particle accelerators, survey of particle detectors, emulsion as a particle detector, counters used in high-energy physics, bubble chambers, computer programming, chromatography, the transuranium elements, health physics, photosynthesis, the chemistry and physics of virus, the biology of virus, lipoproteins and heart disease, origin and evolution of the solar system, the role of space satellites in gathering astronomical data, and radiation andmore » life in space. (M.C.G.)« less

Chemistry-Climate Interactions in the GISS GCM. Part 1; Tropospheric Chemistry Model Description and Evaluation

NASA Technical Reports Server (NTRS)

Shindell, Drew T.; Grenfell, J. Lee; Rind, David; Price, Colin; Grewe, Volker; Hansen, James E. (Technical Monitor)

2001-01-01

A tropospheric chemistry module has been developed for use within the Goddard Institute for Space Studies (GISS) general circulation model (GCM) to study interactions between chemistry and climate change. The model uses a simplified chemistry scheme based on CO-NOx-CH4 chemistry, and also includes a parameterization for emissions of isoprene, the most important non-methane hydrocarbon. The model reproduces present day annual cycles and mean distributions of key trace gases fairly well, based on extensive comparisons with available observations. Examining the simulated change between present day and pre-industrial conditions, we find that the model has a similar response to that seen in other simulations. It shows a 45% increase in the global tropospheric ozone burden, within the 25% - 57% range seen in other studies. Annual average zonal mean ozone increases by more than 125% at Northern Hemisphere middle latitudes near the surface. Comparison of model runs that allow the calculated ozone to interact with the GCM's radiation and meteorology with those that do not shows only minor differences for ozone. The common usage of ozone fields that are not calculated interactively seems to be adequate to simulate both the present day and the pre-industrial ozone distributions. However, use of coupled chemistry does alter the change in tropospheric oxidation capacity, enlarging the overall decrease in OH concentrations from the pre-industrial to the present by about 10% (-5.3% global annual average in uncoupled mode, -5.9% in coupled mode). This indicates that there may be systematic biases in the simulation of the pre-industrial to present day decrease in the oxidation capacity of the troposphere (though a 10% difference is well within the total uncertainty). Global annual average radiative forcing from pre-industrial to present day ozone change is 0.32 W/sq m. The forcing seems to be increased by about 10% when the chemistry is coupled to the GCM. Forcing values greater

Uncertainties in water chemistry in disks: An application to TW Hydrae

NASA Astrophysics Data System (ADS)

Kamp, I.; Thi, W.-F.; Meeus, G.; Woitke, P.; Pinte, C.; Meijerink, R.; Spaans, M.; Pascucci, I.; Aresu, G.; Dent, W. R. F.

2013-11-01

Context. This paper discusses the sensitivity of water lines to chemical processes and radiative transfer for the protoplanetary disk around TW Hya. The study focuses on the Herschel spectral range in the context of new line detections with the PACS instrument from the Gas in Protoplanetary Systems project (GASPS). Aims: The paper presents an overview of the chemistry in the main water reservoirs in the disk around TW Hya. It discusses the limitations in the interpretation of observed water line fluxes. Methods: We use a previously published thermo-chemical Protoplanetary Disk Model (ProDiMo) of the disk around TW Hya and study a range of chemical modeling uncertainties: metallicity, C/O ratio, and reaction pathways and rates leading to the formation of water. We provide results for the simplified assumption of Tgas = Tdust to quantify uncertainties arising for the complex heating/cooling processes of the gas and elaborate on limitations due to water line radiative transfer. Results: We report new line detections of p-H2O (322-211) at 89.99 μm and CO J = 18-17 at 144.78 μm for the disk around TW Hya. Disk modeling shows that the far-IR fine structure lines ([O i], [C ii]) and molecular submm lines are very robust to uncertainties in the chemistry, while the water line fluxes can change by factors of a few. The water lines are optically thick, sub-thermally excited and can couple to the background continuum radiation field. The low-excitation water lines are also sensitive to uncertainties in the collision rates, e.g. with neutral hydrogen. The gas temperature plays an important role for the [O i] fine structure line fluxes, the water line fluxes originating from the inner disk as well as the high excitation CO, CH+ and OH lines. Conclusions: Due to their sensitivity on chemical input data and radiative transfer, water lines have to be used cautiously for understanding details of the disk structure. Water lines covering a wide range of excitation energies provide

Plasmon-induced charge separation: chemistry and wide applications

PubMed Central

Nishi, Hiroyasu; Ishida, Takuya

2017-01-01

Recent development of nanoplasmonics has stimulated chemists to utilize plasmonic nanomaterials for efficient and distinctive photochemical applications, and physicists to boldly go inside the “wet” chemistry world. The discovery of plasmon-induced charge separation (PICS) has even accelerated these trends. On the other hand, some confusion is found in discussions about PICS. In this perspective, we focus on differences between PICS and some other phenomena such as co-catalysis effect and plasmonic nanoantenna effect. In addition, materials and nanostructures suitable for PICS are shown, and characteristics and features unique to PICS are documented. Although it is well known that PICS has been applied to photovoltaics and photocatalysis, here light is shed on other applications that take better advantage of PICS, such as chemical sensing and biosensing, various photochromisms, photoswitchable functionalities and nanoscale photofabrication. PMID:28507702

Applications of Optical Microcavity Resonators in Analytical Chemistry

PubMed Central

Wade, James H.; Bailey, Ryan C.

2018-01-01

Optical resonator sensors are an emerging class of analytical technologies that use recirculating light confined within a microcavity to sensitively measure the surrounding environment. Bolstered by advances in microfabrication, these devices can be configured for a wide variety of chemical or biomolecular sensing applications. The review begins with a brief description of optical resonator sensor operation followed by discussions regarding sensor design, including different geometries, choices of material systems, methods of sensor interrogation, and new approaches to sensor operation. Throughout, key recent developments are highlighted, including advancements in biosensing and other applications of optical sensors. Alternative sensing mechanisms and hybrid sensing devices are then discussed in terms of their potential for more sensitive and rapid analyses. Brief concluding statements offer our perspective on the future of optical microcavity sensors and their promise as versatile detection elements within analytical chemistry. PMID:27049629

GRACKLE: a chemistry and cooling library for astrophysics

NASA Astrophysics Data System (ADS)

Smith, Britton D.; Bryan, Greg L.; Glover, Simon C. O.; Goldbaum, Nathan J.; Turk, Matthew J.; Regan, John; Wise, John H.; Schive, Hsi-Yu; Abel, Tom; Emerick, Andrew; O'Shea, Brian W.; Anninos, Peter; Hummels, Cameron B.; Khochfar, Sadegh

2017-04-01

We present the GRACKLE chemistry and cooling library for astrophysical simulations and models. GRACKLE provides a treatment of non-equilibrium primordial chemistry and cooling for H, D and He species, including H2 formation on dust grains; tabulated primordial and metal cooling; multiple ultraviolet background models; and support for radiation transfer and arbitrary heat sources. The library has an easily implementable interface for simulation codes written in C, C++ and FORTRAN as well as a PYTHON interface with added convenience functions for semi-analytical models. As an open-source project, GRACKLE provides a community resource for accessing and disseminating astrochemical data and numerical methods. We present the full details of the core functionality, the simulation and PYTHON interfaces, testing infrastructure, performance and range of applicability. GRACKLE is a fully open-source project and new contributions are welcome.

25th anniversary article: progress in chemistry and applications of functional indigos for organic electronics.

PubMed

Głowacki, Eric Daniel; Voss, Gundula; Sariciftci, Niyazi Serdar

2013-12-17

Indigo and its derivatives are dyes and pigments with a long and distinguished history in organic chemistry. Recently, applications of this 'old' structure as a functional organic building block for organic electronics applications have renewed interest in these molecules and their remarkable chemical and physical properties. Natural-origin indigos have been processed in fully bio-compatible field effect transistors, operating with ambipolar mobilities up to 0.5 cm(2) /Vs and air-stability. The synthetic derivative isoindigo has emerged as one of the most successful building-blocks for semiconducting polymers for plastic solar cells with efficiencies > 5%. Another isomer of indigo, epindolidione, has also been shown to be one of the best reported organic transistor materials in terms of mobility (∼2 cm(2) /Vs) and stability. This progress report aims to review very recent applications of indigoids in organic electronics, but especially to logically bridge together the hereto independent research directions on indigo, isoindigo, and other materials inspired by historical dye chemistry: a field which was the root of the development of modern chemistry in the first place. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

MathBrowser: Web-Enabled Mathematical Software with Application to the Chemistry Curriculum, v 1.0

NASA Astrophysics Data System (ADS)

Goldsmith, Jack G.

1997-10-01

MathSoft: Cambridge, MA, 1996; free via ftp from www.mathsoft.com. The movement to provide computer-based applications in chemistry has come to focus on three main areas: software aimed at specific applications (drawing, simulation, data analysis, etc.), multimedia applications designed to assist in the presentation of conceptual information, and packages to be used in conjunction with a particular textbook at a specific point in the chemistry curriculum. The result is a situation where no single software package devoted to problem solving can be used across a large segment of the curriculum. Adoption of World Wide Web (WWW) technology by a manufacturer of mathematical software, however, has produced software that provides an attractive means of providing a problem-solving resource to students in courses from freshman through senior level.

Describing the direct and indirect radiative effects of atmospheric aerosols over Europe by using coupled meteorology-chemistry simulations: a contribution from the AQMEII-Phase II exercise

NASA Astrophysics Data System (ADS)

Jimenez-Guerrero, Pedro; Balzarini, Alessandra; Baró, Rocío; Curci, Gabriele; Forkel, Renate; Hirtl, Marcus; Honzak, Luka; Langer, Matthias; Pérez, Juan L.; Pirovano, Guido; San José, Roberto; Tuccella, Paolo; Werhahn, Johannes; Zabkar, Rahela

2014-05-01

The study of the response of the aerosol levels in the atmosphere to a changing climate and how this affects the radiative budget of the Earth (direct, semi-direct and indirect effects) is an essential topic to build confidence on climate science, since these feedbacks involve the largest uncertainties nowadays. Air quality-climate interactions (AQCI) are, therefore, a key, but uncertain contributor to the anthropogenic forcing that remains poorly understood. To build confidence in the AQCI studies, regional-scale integrated meteorology-atmospheric chemistry models (i.e., models with on-line chemistry) that include detailed treatment of aerosol life cycle and aerosol impacts on radiation (direct effects) and clouds (indirect effects) are in demand. In this context, the main objective of this contribution is the study and definition of the uncertainties in the climate-chemistry-aerosol-cloud-radiation system associated to the direct radiative forcing and the indirect effect caused by aerosols over Europe, using an ensemble of fully-coupled meteorology-chemistry model simulations with the WRF-Chem model run under the umbrella of AQMEII-Phase 2 international initiative. Simulations were performed for Europe for the entire year 2010. According to the common simulation strategy, the year was simulated as a sequence of 2-day time slices. For better comparability, the seven groups applied the same grid spacing of 23 km and shared common processing of initial and boundary conditions as well as anthropogenic and fire emissions. With exception of a simulation with different cloud microphysics, identical physics options were chosen while the chemistry options were varied. Two model set-ups will be considered here: one sub-ensemble of simulations not taking into account any aerosol feedbacks (the baseline case) and another sub-ensemble of simulations which differs from the former by the inclusion of aerosol-radiation feedback. The existing differences for meteorological

Chemistry in protoplanetary disks

NASA Astrophysics Data System (ADS)

Semenov, D. A.

2012-01-01

In this lecture I discuss recent progress in the understanding of the chemical evolution of protoplanetary disks that resemble our Solar system during the first ten million years. At the verge of planet formation, strong variations of temperature, density, and radiation intensities in these disks lead to a layered chemical structure. In hot, dilute and heavily irradiated atmosphere only simple radicals, atoms, and atomic ions can survive, formed and destroyed by gas-phase processes. Beneath the atmosphere a partly UV-shielded, warm molecular layer is located, where high-energy radiation drives rich chemistry, both in the gas phase and on dust surfaces. In a cold, dense, dark disk midplane many molecules are frozen out, forming thick icy mantles where surface chemistry is active and where complex (organic) species are synthesized.

The G value in plasma and radiation chemistry

NASA Technical Reports Server (NTRS)

Baird, James K.; Miller, George P.; Li, Ning

1990-01-01

The application of the G-value concept to plasma chemistry is considered. A general formula which expresses the G value for a general reaction in terms of experimentally controllable parameters is derived by applying simple gas-dynamic theory to a plasma reactor with straight walls. The formula expresses the G value as a function of the electrical power absorbed, the fraction of molecules transformed, and the flow rate of the gas entering the reactor. The formula was applied to the ammonia plasma radio-frequency discharge data of d'Agostino et al. (1981); the results showed that the G(-NH3) value lies in the range of 6.0-20 molecules/100 eV, depending on the conditions. This similarity of the G(-NH3) value with Peterson's (1974) range 2.7-10 found for the gas-phase radiolysis of ammonia, suggests that there might be a common reaction mechanism initiated by inelastic electron-molecule collisions.

Application of Ion Mobility Spectrometry (IMS) in forensic chemistry and toxicology with focus on biological matrices

NASA Technical Reports Server (NTRS)

Bernhard, Werner; Keller, Thomas; Regenscheit, Priska

1995-01-01

The IMS (Ion Mobility Spectroscopy) instrument 'Ionscan' takes advantage of the fact that trace quantities of illicit drugs are adsorbed on dust particles on clothes, in cars and on other items of evidence. The dust particles are collected on a membrane filter by a special attachment on a vacuum cleaner. The sample is then directly inserted into the spectrometer and can be analyzed immediately. We show casework applications of a forensic chemistry and toxicology laboratory. One new application of IMS in forensic chemistry is the detection of psilocybin in dried mushrooms without any further sample preparation.

Applications of Machine Learning for Radiation Therapy.

PubMed

Arimura, Hidetaka; Nakamoto, Takahiro

2016-01-01

Radiation therapy has been highly advanced as image guided radiation therapy (IGRT) by making advantage of image engineering technologies. Recently, novel frameworks based on image engineering technologies as well as machine learning technologies have been studied for sophisticating the radiation therapy. In this review paper, the author introduces several researches of applications of machine learning for radiation therapy. For examples, a method to determine the threshold values for standardized uptake value (SUV) for estimation of gross tumor volume (GTV) in positron emission tomography (PET) images, an approach to estimate the multileaf collimator (MLC) position errors between treatment plans and radiation delivery time, and prediction frameworks for esophageal stenosis and radiation pneumonitis risk after radiation therapy are described. Finally, the author introduces seven issues that one should consider when applying machine learning models to radiation therapy.

A two-dimensional atmospheric chemistry modeling investigation of Earth's Phanerozoic O3 and near-surface ultraviolet radiation history

NASA Astrophysics Data System (ADS)

Harfoot, Michael B. J.; Beerling, David J.; Lomax, Barry H.; Pyle, John A.

2007-04-01

We use the Cambridge two-dimensional (2-D) chemistry-radiation transport model to investigate the implications for column O3 and near-surface ultraviolet radiation (UV), of variations in atmospheric O2 content over the Phanerozoic (last 540 Myr). Model results confirm some earlier 1-D model investigations showing that global annual mean O3 column increases monotonically with atmospheric O2. Sensitivity studies indicate that changes in temperature and N2O exert a minor influence on O3 relative to O2. We reconstructed Earth's O3 history by interpolating the modeled relationship between O3 and O2 onto two Phanerozoic O2 histories. Our results indicate that the largest variation in Phanerozoic column O3 occurred between 400 and 200 Myr ago, corresponding to a rise in atmospheric O2 to ˜1.5 times the present atmospheric level (PAL) and subsequent fall to ˜0.5 PAL. The O3 response to this O2 decline shows latitudinal differences, thinning most at high latitudes (30-40 Dobson units (1 DU = 0.001 atm cm) at 66°N) and least at low latitudes (5-10 DU at 9°N) where a "self-healing" effect is evident. This O3 depletion coincides with significant increases in the near-surface biologically active UV radiation at high latitudes, +28% as weighted by the Thimijan spectral weighting function. O3 and UV changes were exacerbated when we incorporated a direct feedback of the terrestrial biosphere on atmospheric chemistry, through enhanced N2O production as the climate switched from an icehouse to a greenhouse mode. On the basis of a summary of field and laboratory experimental evidence, we suggest that these UV radiation increases may have exerted subtle rather than catastrophic effects on ecosystem processes.

Modelling of electronic excitation and radiation in the Direct Simulation Monte Carlo Macroscopic Chemistry Method

NASA Astrophysics Data System (ADS)

Goldsworthy, M. J.

2012-10-01

One of the most useful tools for modelling rarefied hypersonic flows is the Direct Simulation Monte Carlo (DSMC) method. Simulator particle movement and collision calculations are combined with statistical procedures to model thermal non-equilibrium flow-fields described by the Boltzmann equation. The Macroscopic Chemistry Method for DSMC simulations was developed to simplify the inclusion of complex thermal non-equilibrium chemistry. The macroscopic approach uses statistical information which is calculated during the DSMC solution process in the modelling procedures. Here it is shown how inclusion of macroscopic information in models of chemical kinetics, electronic excitation, ionization, and radiation can enhance the capabilities of DSMC to model flow-fields where a range of physical processes occur. The approach is applied to the modelling of a 6.4 km/s nitrogen shock wave and results are compared with those from existing shock-tube experiments and continuum calculations. Reasonable agreement between the methods is obtained. The quality of the comparison is highly dependent on the set of vibrational relaxation and chemical kinetic parameters employed.

Changes in domestic heating fuel use in Greece: effects on atmospheric chemistry and radiation

NASA Astrophysics Data System (ADS)

Athanasopoulou, Eleni; Speyer, Orestis; Brunner, Dominik; Vogel, Heike; Vogel, Bernhard; Mihalopoulos, Nikolaos; Gerasopoulos, Evangelos

2017-09-01

For the past 8 years, Greece has been experiencing a major financial crisis which, among other side effects, has led to a shift in the fuel used for residential heating from fossil fuel towards biofuels, primarily wood. This study simulates the fate of the residential wood burning aerosol plume (RWB smog) and the implications on atmospheric chemistry and radiation, with the support of detailed aerosol characterization from measurements during the winter of 2013-2014 in Athens. The applied model system (TNO-MACC_II emissions and COSMO-ART model) and configuration used reproduces the measured frequent nighttime aerosol spikes (hourly PM10 > 75 µg m-3) and their chemical profile (carbonaceous components and ratios). Updated temporal and chemical RWB emission profiles, derived from measurements, were used, while the level of the model performance was tested for different heating demand (HD) conditions, resulting in better agreement with measurements for Tmin < 9 °C. Half of the aerosol mass over the Athens basin is organic in the submicron range, of which 80 % corresponds to RWB (average values during the smog period). Although organic particles are important light scatterers, the direct radiative cooling of the aerosol plume during wintertime is found low (monthly average forcing of -0.4 W m-2 at the surface), followed by a minor feedback to the concentration levels of aerosol species. The low radiative cooling of a period with such intense air pollution conditions is attributed to the timing of the smog plume appearance, both directly (longwave radiation increases during nighttime) and indirectly (the mild effect of the residual plume on solar radiation during the next day, due to removal and dispersion processes).

A New Radio Spectral Line Survey of Planetary Nebulae: Exploring Radiatively Driven Heating and Chemistry of Molecular Gas

NASA Astrophysics Data System (ADS)

Bublitz, Jesse

Planetary nebulae contain shells of cold gas and dust whose heating and chemistry is likely driven by UV and X-ray emission from their central stars and from wind-collision-generated shocks. We present the results of a survey of molecular line emissions in the 88 - 235 GHz range from nine nearby (<1.5 kpc) planetary nebulae using the 30 m telescope at the Institut de Radioastronomie Millimetrique. Rotational transitions of nine molecules, including the well-studied CO isotopologues and chemically important trace species, were observed and the results compared with and augmented by previous studies of molecular gas in PNe. Lines of the molecules HCO+, HNC, HCN, and CN, which were detected in most objects, represent new detections for five planetary nebulae in our study. Flux ratios were analyzed to identify correlations between the central star and/or nebular ultraviolet/X-ray luminosities and the molecular chemistries of the nebulae. Analysis reveals the apparent dependence of the HNC/HCN line ratio on PN central star UV luminosity. There exists no such clear correlation between PN X-rays and various diagnostics of PN molecular chemistry. The correlation between HNC/HCN ratio and central star UV luminosity hints at the potential of molecular emission line studies of PNe for improving our understanding of the role that high-energy radiation plays in the heating and chemistry of photodissociation regions.

Online coupled regional meteorology-chemistry models in Europe: current status and prospects

NASA Astrophysics Data System (ADS)

Baklanov, A.; Schluenzen, K. H.; Suppan, P.; Baldasano, J.; Brunner, D.; Aksoyoglu, S.; Carmichael, G.; Douros, J.; Flemming, J.; Forkel, R.; Galmarini, S.; Gauss, M.; Grell, G.; Hirtl, M.; Joffre, S.; Jorba, O.; Kaas, E.; Kaasik, M.; Kallos, G.; Kong, X.; Korsholm, U.; Kurganskiy, A.; Kushta, J.; Lohmann, U.; Mahura, A.; Manders-Groot, A.; Maurizi, A.; Moussiopoulos, N.; Rao, S. T.; Savage, N.; Seigneur, C.; Sokhi, R.; Solazzo, E.; Solomos, S.; Sørensen, B.; Tsegas, G.; Vignati, E.; Vogel, B.; Zhang, Y.

2013-05-01

The simulation of the coupled evolution of atmospheric dynamics, pollutant transport, chemical reactions and atmospheric composition is one of the most challenging tasks in environmental modelling, climate change studies, and weather forecasting for the next decades as they all involve strongly integrated processes. Weather strongly influences air quality (AQ) and atmospheric transport of hazardous materials, while atmospheric composition can influence both weather and climate by directly modifying the atmospheric radiation budget or indirectly affecting cloud formation. Until recently, however, due to the scientific complexities and lack of computational power, atmospheric chemistry and weather forecasting have developed as separate disciplines, leading to the development of separate modelling systems that are only loosely coupled. The continuous increase in computer power has now reached a stage that enables us to perform online coupling of regional meteorological models with atmospheric chemical transport models. The focus on integrated systems is timely, since recent research has shown that meteorology and chemistry feedbacks are important in the context of many research areas and applications, including numerical weather prediction (NWP), AQ forecasting as well as climate and Earth system modelling. However, the relative importance of online integration and its priorities, requirements and levels of detail necessary for representing different processes and feedbacks can greatly vary for these related communities: (i) NWP, (ii) AQ forecasting and assessments, (iii) climate and earth system modelling. Additional applications are likely to benefit from online modelling, e.g.: simulation of volcanic ash or forest fire plumes, pollen warnings, dust storms, oil/gas fires, geo-engineering tests involving changes in the radiation balance. The COST Action ES1004 - European framework for online integrated air quality and meteorology modelling (EuMetChem) - aims at

Application of Multivariate Modeling for Radiation Injury Assessment: A Proof of Concept

PubMed Central

Bolduc, David L.; Villa, Vilmar; Sandgren, David J.; Ledney, G. David; Blakely, William F.; Bünger, Rolf

2014-01-01

Multivariate radiation injury estimation algorithms were formulated for estimating severe hematopoietic acute radiation syndrome (H-ARS) injury (i.e., response category three or RC3) in a rhesus monkey total-body irradiation (TBI) model. Classical CBC and serum chemistry blood parameters were examined prior to irradiation (d 0) and on d 7, 10, 14, 21, and 25 after irradiation involving 24 nonhuman primates (NHP) (Macaca mulatta) given 6.5-Gy 60Co Υ-rays (0.4 Gy min−1) TBI. A correlation matrix was formulated with the RC3 severity level designated as the “dependent variable” and independent variables down selected based on their radioresponsiveness and relatively low multicollinearity using stepwise-linear regression analyses. Final candidate independent variables included CBC counts (absolute number of neutrophils, lymphocytes, and platelets) in formulating the “CBC” RC3 estimation algorithm. Additionally, the formulation of a diagnostic CBC and serum chemistry “CBC-SCHEM” RC3 algorithm expanded upon the CBC algorithm model with the addition of hematocrit and the serum enzyme levels of aspartate aminotransferase, creatine kinase, and lactate dehydrogenase. Both algorithms estimated RC3 with over 90% predictive power. Only the CBC-SCHEM RC3 algorithm, however, met the critical three assumptions of linear least squares demonstrating slightly greater precision for radiation injury estimation, but with significantly decreased prediction error indicating increased statistical robustness. PMID:25165485

Sulfur chemistry in dense interstellar clouds

NASA Technical Reports Server (NTRS)

Prasad, S. S.; Huntress, W. T., Jr.

1982-01-01

A model is presented for the gas phase chemistry of molecules containing sulfur in dense interstellar clouds. The sulfur chemistry is different from that used in previous models as a result of an extensive search of the recent literature and the availability of new laboratory data. The changes have a significant effect on the calculated abundance of sulfur compounds. The linked chemistry of sulfur and oxygen in the present model requires a severe depletion of sulfur and low fractional abundances of both O and O2 in the dense clouds. In contrast, the high abundance of SO and the low abundance of CS relative to SO in the HVS in the KL may indicate an oxygen-rich, high temperature environment compared to OMC-1. The formation of S-H bonds is slow because of the absence of radiative association between S(+) and H2. The present model underestimates the abundance of H2S unless a radiative association reaction between HS(+) and H2 is postulated.

Recent Advances in Glycerol Polymers: Chemistry and Biomedical Applications

PubMed Central

Zhang, Heng

2015-01-01

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

A New Radio Spectral Line Survey of Planetary Nebulae: Exploring Radiatively-driven Heating and Chemistry of Molecular Gas

NASA Astrophysics Data System (ADS)

Bublitz, Jesse; Kastner, Joel H.; Santander-García, Miguel; Montez, Rodolfo; Alcolea, Javier; Balick, Bruce; Bujarrabal, Valentín

2018-01-01

We report the results of a survey of mm-wave molecular line emission from nine nearby (<1.5 kpc), well-studied, molecule-rich planetary nebulae (PNe) with the Institut de Radioastronomie Millimétrique (IRAM) 30 m telescope. Our sample comprises molecule-rich PNe spanning a wide range of central star UV luminosities as well as central star and nebular X-ray emission properties. Nine molecular line frequencies were chosen to investigate the molecular chemistry of these nebulae. New detections of one or more of five molecules -- the molecular mass tracer 13CO and the chemically important trace species HCO+, CN, HCN, and HNC -- were made in at least one PN. We present analysis of emission line flux ratios that are potential diagnostics of the influence that ultraviolet and X-ray radiation have on the chemistry of residual molecular gas in PNe.

Uniqueness of Zinc as a Bioelement: Principles and Applications in Bioinorganic Chemistry--III.

ERIC Educational Resources Information Center

Ochiai, Ei-Ichiro

1988-01-01

Attempts to delineate certain basic principles and applications of bioinorganic chemistry to oxidation-reduction reactions. Examines why zinc(II) is so uniquely suited to enzymated reactions of the acid-base type. Suggests the answer may be in the natural abundance and the basic physicochemical properties of zinc(II). (MVL)

Aqueous Plasma Pharmacy: Preparation Methods, Chemistry, and Therapeutic Applications

PubMed Central

Joslin, Jessica M.; McCall, James R.; Bzdek, Justin P.; Johnson, Derek C.; Hybertson, Brooks M.

2017-01-01

Plasma pharmacy is a subset of the broader field of plasma medicine. Although not strictly defined, the term aqueous plasma pharmacy (APP) is used to refer to the generation and distribution of reactive plasma-generated species in an aqueous solution followed by subsequent administration for therapeutic benefits. APP attempts to harness the therapeutic effects of plasma-generated oxidant species within aqueous solution in various applications, such as disinfectant solutions, cell proliferation related to wound healing, and cancer treatment. The subsequent use of plasma-generated solutions in the APP approach facilitates the delivery of reactive plasma species to internal locations within the body. Although significant efforts in the field of plasma medicine have concentrated on employing direct plasma plume exposure to cells or tissues, here we focus specifically on plasma discharge in aqueous solution to render the solution biologically active for subsequent application. Methods of plasma discharge in solution are reviewed, along with aqueous plasma chemistry and the applications for APP. The future of the field also is discussed regarding necessary research efforts that will enable commercialization for clinical deployment. PMID:28428835

Comparison of nine different real-time PCR chemistries for qualitative and quantitative applications in GMO detection.

PubMed

Buh Gasparic, Meti; Tengs, Torstein; La Paz, Jose Luis; Holst-Jensen, Arne; Pla, Maria; Esteve, Teresa; Zel, Jana; Gruden, Kristina

2010-03-01

Several techniques have been developed for detection and quantification of genetically modified organisms, but quantitative real-time PCR is by far the most popular approach. Among the most commonly used real-time PCR chemistries are TaqMan probes and SYBR green, but many other detection chemistries have also been developed. Because their performance has never been compared systematically, here we present an extensive evaluation of some promising chemistries: sequence-unspecific DNA labeling dyes (SYBR green), primer-based technologies (AmpliFluor, Plexor, Lux primers), and techniques involving double-labeled probes, comprising hybridization (molecular beacon) and hydrolysis (TaqMan, CPT, LNA, and MGB) probes, based on recently published experimental data. For each of the detection chemistries assays were included targeting selected loci. Real-time PCR chemistries were subsequently compared for their efficiency in PCR amplification and limits of detection and quantification. The overall applicability of the chemistries was evaluated, adding practicability and cost issues to the performance characteristics. None of the chemistries seemed to be significantly better than any other, but certain features favor LNA and MGB technology as good alternatives to TaqMan in quantification assays. SYBR green and molecular beacon assays can perform equally well but may need more optimization prior to use.

Advances in theory and their application within the field of zeolite chemistry.

PubMed

Van Speybroeck, Veronique; Hemelsoet, Karen; Joos, Lennart; Waroquier, Michel; Bell, Robert G; Catlow, C Richard A

2015-10-21

Zeolites are versatile and fascinating materials which are vital for a wide range of industries, due to their unique structural and chemical properties, which are the basis of applications in gas separation, ion exchange and catalysis. Given their economic impact, there is a powerful incentive for smart design of new materials with enhanced functionalities to obtain the best material for a given application. Over the last decades, theoretical modeling has matured to a level that model guided design has become within reach. Major hurdles have been overcome to reach this point and almost all contemporary methods in computational materials chemistry are actively used in the field of modeling zeolite chemistry and applications. Integration of complementary modeling approaches is necessary to obtain reliable predictions and rationalizations from theory. A close synergy between experimentalists and theoreticians has led to a deep understanding of the complexity of the system at hand, but also allowed the identification of shortcomings in current theoretical approaches. Inspired by the importance of zeolite characterization which can now be performed at the single atom and single molecule level from experiment, computational spectroscopy has grown in importance in the last decade. In this review most of the currently available modeling tools are introduced and illustrated on the most challenging problems in zeolite science. Directions for future model developments will be given.

Chemistry in the Troposphere.

ERIC Educational Resources Information Center

Chameides, William L.; Davis, Douglas D.

1982-01-01

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…

On the Green's function of the partially diffusion-controlled reversible ABCD reaction for radiation chemistry codes

NASA Astrophysics Data System (ADS)

Plante, Ianik; Devroye, Luc

2015-09-01

Several computer codes simulating chemical reactions in particles systems are based on the Green's functions of the diffusion equation (GFDE). Indeed, many types of chemical systems have been simulated using the exact GFDE, which has also become the gold standard for validating other theoretical models. In this work, a simulation algorithm is presented to sample the interparticle distance for partially diffusion-controlled reversible ABCD reaction. This algorithm is considered exact for 2-particles systems, is faster than conventional look-up tables and uses only a few kilobytes of memory. The simulation results obtained with this method are compared with those obtained with the independent reaction times (IRT) method. This work is part of our effort in developing models to understand the role of chemical reactions in the radiation effects on cells and tissues and may eventually be included in event-based models of space radiation risks. However, as many reactions are of this type in biological systems, this algorithm might play a pivotal role in future simulation programs not only in radiation chemistry, but also in the simulation of biochemical networks in time and space as well.

Chemistry 200, 300 Interim Guide.

ERIC Educational Resources Information Center

Manitoba Dept. of Education, Winnipeg.

This guide, developed for the chemistry 200, 300 program in Manitoba, is designed to articulate with previous science courses, provide concepts, processes, and skills which will enable students to continue in chemistry-related areas, and relate chemistry to practical applications in everyday life. It includes a program overview (with program goals…

The application of click chemistry in the synthesis of agents with anticancer activity

PubMed Central

Ma, Nan; Wang, Ying; Zhao, Bing-Xin; Ye, Wen-Cai; Jiang, Sheng

2015-01-01

The copper(I)-catalyzed 1,3-dipolar cycloaddition between alkynes and azides (click chemistry) to form 1,2,3-triazoles is the most popular reaction due to its reliability, specificity, and biocompatibility. This reaction has the potential to shorten procedures, and render more efficient lead identification and optimization procedures in medicinal chemistry, which is a powerful modular synthetic approach toward the assembly of new molecular entities and has been applied in anticancer drugs discovery increasingly. The present review focuses mainly on the applications of this reaction in the field of synthesis of agents with anticancer activity, which are divided into four groups: topoisomerase II inhibitors, histone deacetylase inhibitors, protein tyrosine kinase inhibitors, and antimicrotubule agents. PMID:25792812

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

PubMed

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

2007-02-01

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

[Fundamentals of plasma chemistry and its application to drug engineering].

PubMed

Kuzuya, M

1996-04-01

In this review, our novel research works in both low temperature plasma chemistry and solid state plasma chemistry were described. As for low temperature plasma, the ESR study on plasma-induced radicals of several selected conventional polymers was shown including the detailed analyses of the radical structure and the mechanism by which the radicals were formed on typical degradable methacrylic polymers and cross-linkable polystyrene. One of the pharmaceutical applications of the plasma processing for drug delivery system (DDS) was also described, which includes the preparations of double-compressed tablet consisting of drugs as a core material and various types of polymers as a wall material followed by plasma-irradiation on such a tablet. As for solid state plasma, the detailed reaction mechanism of solid state mechanochemical polymerization was shown including the solid state single electron transfer and the special feature of the resulting polymers. The structural criteria for polymerizable monomer derived from the quantum chemical considerations were also established. Based on the above findings, we synthesized various polymeric prodrugs by mechanochemical polymerization and studied the nature of hydrolyses (drug release).

Ion Chemistry in Atmospheric and Astrophysical Plasmas

NASA Technical Reports Server (NTRS)

Dalgarno, A.; Fox, J. L.

1994-01-01

There are many differences and also remarkable similarities between the ion chemistry and physics of planetary ionospheres and the ion chemistry and physics of astronomical environments beyond the solar system. In the early Universe, an expanded cooling gas of hydrogen and helium was embedded in the cosmic background radiation field and ionized by it. As the Universe cooled by adiabatic expansion, recombination occurred and molecular formation was driven by catalytic reactions involving the relict electrons and protons. Similar chemical processes are effective in the ionized zones of gaseous and planetary nebulae and in stellar winds where the ionization is due to radiation from the central stars, in the envelopes of supernovae where the ionization is initiated by the deposition of gamma-rays, in dissociative shocks where the ionization arises from electron impacts in a hot gas and in quasar broad-line region clouds where the quasar is responsible for the ionization. At high altitudes in the atmospheres of the Jovian planets, the main constituents are hydrogen and helium and the ion chemistry and physics is determined by the same processes, the source of the ionization being solar ultraviolet radiation and cosmic rays. After the collapse of the first distinct astronomical entities to emerge from the uniform flow, heavy elements were created by nuclear burning in the cores of the collapsed objects and distributed throughout the Universe by winds and explosions. The chemistry and physics became more complicated. Over 90 distinct molecular species have been identified in interstellar clouds where they are ionized globally by cosmic ray impacts and locally by radiation and shocks associated with star formation and evolution. Complex molecules have also been found in circumstellar shells of evolved stars. At intermediate and low altitudes in the Jovian atmospheres, the ion chemistry is complicated by the increasing abundance of heavy elements such as carbon, and an

Surface chemistry in photodissociation regions

NASA Astrophysics Data System (ADS)

Esplugues, G. B.; Cazaux, S.; Meijerink, R.; Spaans, M.; Caselli, P.

2016-06-01

Context. The presence of dust can strongly affect the chemical composition of the interstellar medium. We model the chemistry in photodissociation regions (PDRs) using both gas-phase and dust-phase chemical reactions. Aims: Our aim is to determine the chemical compositions of the interstellar medium (gas/dust/ice) in regions with distinct (molecular) gas densities that are exposed to radiation fields with different intensities. Methods: We have significantly improved the Meijerink PDR code by including 3050 new gas-phase chemical reactions and also by implementing surface chemistry. In particular, we have included 117 chemical reactions occurring on grain surfaces covering different processes, such as adsorption, thermal desorption, chemical desorption, two-body reactions, photo processes, and cosmic-ray processes on dust grains. Results: We obtain abundances for different gas and solid species as a function of visual extinction, depending on the density and radiation field. We also analyse the rates of the formation of CO2 and H2O ices in different environments. In addition, we study how chemistry is affected by the presence/absence of ice mantles (bare dust or icy dust) and the impact of considering different desorption probabilities. Conclusions: The type of substrate (bare dust or icy dust) and the probability of desorption can significantly alter the chemistry occurring on grain surfaces, leading to differences of several orders of magnitude in the abundances of gas-phase species, such as CO, H2CO, and CH3OH. The type of substrate, together with the density and intensity of the radiation field, also determine the threshold extinction to form ices of CO2 and H2O. We also conclude that H2CO and CH3OH are mainly released into the gas phase of low, far-ultraviolet illuminated PDRs through chemical desorption upon two-body surface reactions, rather than through photodesorption.

Radiation applications research and facilities in AECL research company

NASA Astrophysics Data System (ADS)

Iverson, S. L.

In the 60's and 70's Atomic Energy of Canada had a very active R&D program to discover and develop applications of ionizing radiation. Out of this grew the technology underlying the company's current product line of industrial irradiators. With the commercial success of that product line the company turned its R&D attention to other activities. Presently, widespread interest in the use of radiation for food processing and the possibility of developing reliable and competitive machine sources of radiation hold out the promise of a major increase in industrial use of radiation. While many of the applications being considered are straightforward applications of existing knowledge, others depend on more subtle effects including combined effects of two or more agents. Further research is required in these areas. In March 1985 a new branch, Radiation Applications Research, began operations with the objective of working closely with industry to develop and assist the introduction of new uses of ionizing radiation. The Branch is equipped with appropriate analytical equipment including HPLC (high performance liquid chromatograph) and GC/MS (gas chromatograph/mass spectrometer) as well as a Gammacell 220 and an I-10/1, one kilowatt 10 MeV electron accelerator. The accelerator is located in a specially designed facility equipped for experimental irradiation of test quantities of packaged products as well as solids, liquids and gases in various configurations. A conveyor system moves the packaged products from the receiving area, through a maze, past the electron beam at a controlled rate and finally to the shipping area. Other necessary capabilities, such as gamma and electron dosimetry and a microbiology laboratory, have also been developed. Initial projects in areas ranging from food through environmental and industrial applications have been assessed and the most promising have been selected for further work. As an example, the use of charcoal adsorbent beds to concentrate

A Unique Master's Program in Combined Nuclear Technology and Nuclear Chemistry at Chalmers University of Technology, Sweden

NASA Astrophysics Data System (ADS)

Skarnemark, Gunnar; Allard, Stefan; Ekberg, Christian; Nordlund, Anders

2009-08-01

The need for engineers and scientists who can ensure safe and secure use of nuclear energy is large in Sweden and internationally. Chalmers University of Technology is therefore launching a new 2-year master's program in Nuclear Engineering, with start from the autumn of 2009. The program is open to Swedish and foreign students. The program starts with compulsory courses dealing with the basics of nuclear chemistry and physics, radiation protection, nuclear power and reactors, nuclear fuel supply, nuclear waste management and nuclear safety and security. There are also compulsory courses in nuclear industry applications and sustainable energy futures. The subsequent elective courses can be chosen freely but there is also a possibility to choose informal tracks that concentrate on nuclear chemistry or reactor technology and physics. The nuclear chemistry track comprises courses in e.g. chemistry of lanthanides, actinides and transactinides, solvent extraction, radioecology and radioanalytical chemistry and radiopharmaceuticals. The program is finished with a one semester thesis project. This is probably a unique master program in the sense of its combination of deep courses in both nuclear technology and nuclear chemistry.

Chemistry Modeling for Aerothermodynamics and TPS

NASA Technical Reports Server (NTRS)

Wang, Dunyou; Stallcop, James R.; Dateo, Christopher e.; Schwenke, David W.; Halicioglu, Timur; Huo, winifred M.

2005-01-01

Recent advances in supercomputers and highly scalable quantum chemistry software render computational chemistry methods a viable means of providing chemistry data for aerothermal analysis at a specific level of confidence. Four examples of first principles quantum chemistry calculations will be presented. Study of the highly nonequilibrium rotational distribution of a nitrogen molecule from the exchange reaction N + N2 illustrates how chemical reactions can influence rotational distribution. The reaction C2H + H2 is one example of a radical reaction that occurs during hypersonic entry into an atmosphere containing methane. A study of the etching of a Si surface illustrates our approach to surface reactions. A recently developed web accessible database and software tool (DDD) that provides the radiation profile of diatomic molecules is also described.

Chemistry Modeling for Aerothermodynamics and TPS

NASA Technical Reports Server (NTRS)

Wang, Dun-You; Stallcop, James R.; Dateo, Christopher E.; Schwenke, David W.; Haliciogiu, Timur; Huo, Winifred

2004-01-01

Recent advances in supercomputers and highly scalable quantum chemistry software render computational chemistry methods a viable means of providing chemistry data for aerothermal analysis at a specific level of confidence. Four examples of first principles quantum chemistry calculations will be presented. The study of the highly nonequilibrium rotational distribution of nitrogen molecule from the exchange reaction N + N2 illustrates how chemical reactions can influence the rotational distribution. The reaction C2H + H2 is one example of a radical reaction that occurs during hypersonic entry into a methane containing atmosphere. A study of the etching of Si surface illustrates our approach to surface reactions. A recently developed web accessible database and software tool (DDD) that provides the radiation profile of diatomic molecules is also described.

Principles and Techniques of Radiation Chemistry.

ERIC Educational Resources Information Center

Dorfman, Leon M.

1981-01-01

Discusses the physical processes involved in the deposition of energy from ionizing radiation in the absorber system. Identifies principles relevant to these processes which are responsible for ionization and excitation of the components of the absorber system. Briefly describes some experimental techniques in use in radiation chemical studies.…

[Radiation protection in medical research : Licensing requirement for the use of radiation and advice for the application procedure].

PubMed

Minkov, V; Klammer, H; Brix, G

2017-07-01

In Germany, persons who are to be exposed to radiation for medical research purposes are protected by a licensing requirement. However, there are considerable uncertainties on the part of the applicants as to whether licensing by the competent Federal Office for Radiation Protection is necessary, and regarding the choice of application procedure. The article provides explanatory notes and practical assistance for applicants and an outlook on the forthcoming new regulations concerning the law on radiation protection of persons in the field of medical research. Questions and typical mistakes in the application process were identified and evaluated. The qualified physicians involved in a study are responsible for deciding whether a license is required for the intended application of radiation. The decision can be guided by answering the key question whether the study participants would undergo the same exposures regarding type and extent if they had not taken part in the study. When physicians are still unsure about their decision, they can seek the advisory service provided by the professional medical societies. Certain groups of people are particularly protected through the prohibition or restriction of radiation exposure. A simplified licensing procedure is used for a proportion of diagnostic procedures involving radiation when all related requirements are met; otherwise, the regular licensing procedure should be used. The new radiation protection law, which will enter into force on the 31st of december 2018, provides a notification procedure in addition to deadlines for both the notification and the licensing procedures. In the article, the authors consider how eligible studies involving applications of radiation that are legally not admissible at present may be feasible in the future, while still ensuring a high protection level for study participants.

An exploratory study of proficient undergraduate Chemistry II students' application of Lewis's model

NASA Astrophysics Data System (ADS)

Lewis, Sumudu R.

cases where the algorithm cannot be applied. Additionally, the proficient students' understanding (i.e., representation, explanation and application) of the Valence Shell Electron-Pair Repulsion theory was accurate and precise, and they used the key terms in the correct context when explaining their reasoning. The results of this study can be of great importance to general chemistry and organic chemistry courses' instructors. This study identified students' baseline academic skills and abilities that lead to conceptual understanding of the essential concepts of covalent bonding and molecule structure, which instructors could use as a guide for developing instruction. Furthermore knowing the effective methods of reasoning the students use while applying Lewis's model, the instructors may be better informed and be able to better facilitate students' learning of Lewis' model and its application. Finally, the ideas and methods used in this study can be of value to chemistry education researchers to learn more about developing proficiency through reasoning methods in other chemistry concepts.

Usage and applications of Semantic Web techniques and technologies to support chemistry research

PubMed Central

2014-01-01

Background The drug discovery process is now highly dependent on the management, curation and integration of large amounts of potentially useful data. Semantics are necessary in order to interpret the information and derive knowledge. Advances in recent years have mitigated concerns that the lack of robust, usable tools has inhibited the adoption of methodologies based on semantics. Results This paper presents three examples of how Semantic Web techniques and technologies can be used in order to support chemistry research: a controlled vocabulary for quantities, units and symbols in physical chemistry; a controlled vocabulary for the classification and labelling of chemical substances and mixtures; and, a database of chemical identifiers. This paper also presents a Web-based service that uses the datasets in order to assist with the completion of risk assessment forms, along with a discussion of the legal implications and value-proposition for the use of such a service. Conclusions We have introduced the Semantic Web concepts, technologies, and methodologies that can be used to support chemistry research, and have demonstrated the application of those techniques in three areas very relevant to modern chemistry research, generating three new datasets that we offer as exemplars of an extensible portfolio of advanced data integration facilities. We have thereby established the importance of Semantic Web techniques and technologies for meeting Wild’s fourth “grand challenge”. PMID:24855494

Usage and applications of Semantic Web techniques and technologies to support chemistry research.

PubMed

Borkum, Mark I; Frey, Jeremy G

2014-01-01

The drug discovery process is now highly dependent on the management, curation and integration of large amounts of potentially useful data. Semantics are necessary in order to interpret the information and derive knowledge. Advances in recent years have mitigated concerns that the lack of robust, usable tools has inhibited the adoption of methodologies based on semantics. THIS PAPER PRESENTS THREE EXAMPLES OF HOW SEMANTIC WEB TECHNIQUES AND TECHNOLOGIES CAN BE USED IN ORDER TO SUPPORT CHEMISTRY RESEARCH: a controlled vocabulary for quantities, units and symbols in physical chemistry; a controlled vocabulary for the classification and labelling of chemical substances and mixtures; and, a database of chemical identifiers. This paper also presents a Web-based service that uses the datasets in order to assist with the completion of risk assessment forms, along with a discussion of the legal implications and value-proposition for the use of such a service. We have introduced the Semantic Web concepts, technologies, and methodologies that can be used to support chemistry research, and have demonstrated the application of those techniques in three areas very relevant to modern chemistry research, generating three new datasets that we offer as exemplars of an extensible portfolio of advanced data integration facilities. We have thereby established the importance of Semantic Web techniques and technologies for meeting Wild's fourth "grand challenge".

Virtually going green: The role of quantum computational chemistry in reducing pollution and toxicity in chemistry

NASA Astrophysics Data System (ADS)

Stevens, Jonathan

2017-07-01

Continuing advances in computational chemistry has permitted quantum mechanical calculation to assist in research in green chemistry and to contribute to the greening of chemical practice. Presented here are recent examples illustrating the contribution of computational quantum chemistry to green chemistry, including the possibility of using computation as a green alternative to experiments, but also illustrating contributions to greener catalysis and the search for greener solvents. Examples of applications of computation to ambitious projects for green synthetic chemistry using carbon dioxide are also presented.

RESEARCH STRATEGIES FOR THE APPLICATION OF THE TECHNIQUES OF COMPUTATIONAL BIOLOGICAL CHEMISTRY TO ENVIRONMENTAL PROBLEMS

EPA Science Inventory

On October 25 and 26, 1984, the U.S. EPA sponsored a workshop to consider the potential applications of the techniques of computational biological chemistry to problems in environmental health. Eleven extramural scientists from the various related disciplines and a similar number...

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1994-01-01

wave precursor ahead of vehicles entering the Earth's atmosphere. (8) Since considerable data exists for radiating nonequilibrium flow behind normal shock waves, a normal shock wave version of the blunt body code was developed. (9) By comparing predictions from the models and codes with available normal shock data and the flight data of Fire II, it is believed that the developed flowfield and nonequilibrium radiation models have been essentially validated for engineering applications.

Impact of Climate Change on Soil and Groundwater Chemistry Subject to Process Waste Land Application

NASA Astrophysics Data System (ADS)

McNab, W. W.

2013-12-01

Nonhazardous aqueous process waste streams from food and beverage industry operations are often discharged via managed land application in a manner designed to minimize impacts to underlying groundwater. Process waste streams are typically characterized by elevated concentrations of solutes such as ammonium, organic nitrogen, potassium, sodium, and organic acids. Land application involves the mixing of process waste streams with irrigation water which is subsequently applied to crops. The combination of evapotranspiration and crop salt uptake reduces the downward mass fluxes of percolation water and salts. By carefully managing application schedules in the context of annual climatological cycles, growing seasons, and process requirements, potential adverse environmental impacts to groundwater can be mitigated. However, climate change poses challenges to future process waste land application efforts because the key factors that determine loading rates - temperature, evapotranspiration, seasonal changes in the quality and quantity of applied water, and various crop factors - are all likely to deviate from current averages. To assess the potential impact of future climate change on the practice of land application, coupled process modeling entailing transient unsaturated fluid flow, evapotranspiration, crop salt uptake, and multispecies reactive chemical transport was used to predict changes in salt loading if current practices are maintained in a warmer, drier setting. As a first step, a coupled process model (Hydrus-1D, combined with PHREEQC) was calibrated to existing data sets which summarize land application loading rates, soil water chemistry, and crop salt uptake for land disposal of process wastes from a food industry facility in the northern San Joaquin Valley of California. Model results quantify, for example, the impacts of evapotranspiration on both fluid flow and soil water chemistry at shallow depths, with secondary effects including carbonate mineral

Radiation field control at the latest BWR plants -- design principle, operational experience and future subjects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Uchida, Shunsuke; Ohsumi, Katsumi; Takashima, Yoshie

1995-03-01

Improvements of operational procedures to control water chemistry, e.g., nickel/iron control, as well as application of hardware improvements for reducing radioactive corrosion products resulted in an extremely low occupational exposure of less than 0.5 man.Sv/yr without any serious impact on the radwaste system, for BWR plants involved in the Japanese Improvement and Standardization Program. Recently, {sup 60}C radioactively in the reactor water has been increasing due to less crud fixation on the two smooth surfaces of new type high performance fuels and to the pH drop caused by chromium oxide anions released from stainless steel structures and pipings. This increasemore » must be limited by changes in water chemistry, e.g., applications of modified nickel/iron ratio control and weak alkali control. Controlled water chemistry to optimize three points, the plant radiation level and integrities of fuel and structural materials, is the primary future subject for BWR water chemistry.« less

41 CFR 50-204.35 - Application for variations from radiation levels.

Code of Federal Regulations, 2012 CFR

2012-07-01

... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum concerning...

41 CFR 50-204.35 - Application for variations from radiation levels.

Code of Federal Regulations, 2011 CFR

2011-07-01

... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum concerning...

41 CFR 50-204.35 - Application for variations from radiation levels.

Code of Federal Regulations, 2013 CFR

2013-07-01

... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum concerning...

41 CFR 50-204.35 - Application for variations from radiation levels.

Code of Federal Regulations, 2014 CFR

2014-07-01

... variations from radiation levels. 50-204.35 Section 50-204.35 Public Contracts and Property Management Other... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation levels. (a) In accordance with policy expressed in the Federal Radiation Council's memorandum concerning...

Bioorganic and bioinorganic chemistry.

PubMed

Constable, Edwin C; Housecroft, Catherine E; Creus, Marc; Gademann, Karl; Giese, Bernd; Ward, Thomas R; Woggon, Wolf D; Chougnet, Antoinette

2010-01-01

The interdisciplinary projects in bioinorganic and bioorganic chemistry of the Department of Chemistry, University of Basel led to the preparation of new systems that mimic biologically important processes and to the discovery of compounds from natural sources which are very promising with respect to medical applications. The advances in these areas are reported here.

Atmospheric Chemistry and Air Pollution

DOE PAGES

Gaffney, Jeffrey S.; Marley, Nancy A.

2003-01-01

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 ozonemore » 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.« less

Mass spectrometry. [in organic chemistry

NASA Technical Reports Server (NTRS)

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

1978-01-01

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.

Bioorthogonal chemistry: applications in activity-based protein profiling.

PubMed

Willems, Lianne I; van der Linden, Wouter A; Li, Nan; Li, Kah-Yee; Liu, Nora; Hoogendoorn, Sascha; van der Marel, Gijs A; Florea, Bogdan I; Overkleeft, Herman S

2011-09-20

The close interaction between organic chemistry and biology goes back to the late 18th century, when the modern natural sciences began to take shape. After synthetic organic chemistry arose as a discipline, organic chemists almost immediately began to pursue the synthesis of naturally occurring compounds, thereby contributing to the understanding of their functions in biological processes. Research in those days was often remarkably interdisciplinary; in fact, it constituted chemical biology research before the phrase even existed. For example, histological dyes, both of an organic and inorganic nature, were developed and applied by independent researchers (Gram and Golgi) with the aim of visualizing cellular substructures (the bacterial cell wall and the Golgi apparatus). Over the years, as knowledge within the various fields of the natural sciences deepened, research disciplines drifted apart, becoming rather monodisciplinary. In these years, broadly ranging from the end of World War II to about the 1980s, organic chemistry continued to impact life sciences research, but contributions were of a more indirect nature. As an example, the development of the polymerase chain reaction, from which molecular biology and genetics research have greatly profited, was partly predicated on the availability of synthetic oligonucleotides. These molecules first became available in the late 1960s, the result of organic chemists pursuing the synthesis of DNA oligomers primarily because of the synthetic challenges involved. Today, academic natural sciences research is again becoming more interdisciplinary, and sometimes even multidisciplinary. What was termed "chemical biology" by Stuart Schreiber at the end of the last century can be roughly described as the use of intellectually chemical approaches to shed light on processes that are fundamentally rooted in biology. Chemical tools and techniques that are developed for biological studies in the exciting and rapidly evolving field

Solid State Radiation Dosimeters for Space and Medical Applications

NASA Technical Reports Server (NTRS)

Buehler, Martin G. (Editor)

1996-01-01

This report describes the development of two radiation monitors (RADMON's) for use in detecting total radiation dose and high-energy particles. These radiation detectors are chip-size devices fabricated in 1.2 micrometer CMOS and have flown in space on both experimental and commercial spacecraft. They have been used to characterize protons and electrons in the Earth's radiation belts, particles from the Sun, and protons used for medical therapy. Having proven useful in a variety of applications, the detector is now being readied for commercialization.

41 CFR 50-204.35 - Application for variations from radiation levels.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 41 Public Contracts and Property Management 1 2010-07-01 2010-07-01 true Application for... FOR FEDERAL SUPPLY CONTRACTS Radiation Standards § 50-204.35 Application for variations from radiation... from time to time grant permission to employers to vary from the limitations contained in §§ 50-204.21...

High permittivity patch radiator for single and multi-element hyperthermia applicators.

PubMed

Andreuccetti, D; Bini, M; Ignesti, A; Olmi, R; Priori, S; Vanni, R

1993-07-01

This paper describes a compact, low-profile patch radiator which is the base element for efficient, small-size applicators suitable for superficial hyperthermia. The design criteria and the technological processes involved are presented. The electromagnetic characteristics of the patch element are outlined, and possible application of the radiator are discussed.

Fast All-Sky Radiation Model for Solar Applications (FARMS): A Brief Overview of Mechanisms, Performance, and Applications: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Yu; Sengupta, Manajit

Solar radiation can be computed using radiative transfer models, such as the Rapid Radiation Transfer Model (RRTM) and its general circulation model applications, and used for various energy applications. Due to the complexity of computing radiation fields in aerosol and cloudy atmospheres, simulating solar radiation can be extremely time-consuming, but many approximations--e.g., the two-stream approach and the delta-M truncation scheme--can be utilized. To provide a new fast option for computing solar radiation, we developed the Fast All-sky Radiation Model for Solar applications (FARMS) by parameterizing the simulated diffuse horizontal irradiance and direct normal irradiance for cloudy conditions from the RRTMmore » runs using a 16-stream discrete ordinates radiative transfer method. The solar irradiance at the surface was simulated by combining the cloud irradiance parameterizations with a fast clear-sky model, REST2. To understand the accuracy and efficiency of the newly developed fast model, we analyzed FARMS runs using cloud optical and microphysical properties retrieved using GOES data from 2009-2012. The global horizontal irradiance for cloudy conditions was simulated using FARMS and RRTM for global circulation modeling with a two-stream approximation and compared to measurements taken from the U.S. Department of Energy's Atmospheric Radiation Measurement Climate Research Facility Southern Great Plains site. Our results indicate that the accuracy of FARMS is comparable to or better than the two-stream approach; however, FARMS is approximately 400 times more efficient because it does not explicitly solve the radiative transfer equation for each individual cloud condition. Radiative transfer model runs are computationally expensive, but this model is promising for broad applications in solar resource assessment and forecasting. It is currently being used in the National Solar Radiation Database, which is publicly available from the National Renewable

Stratospheric sulfur and its implications for radiative forcing simulated by the chemistry climate model EMAC

PubMed Central

Brühl, C; Lelieveld, J; Tost, H; Höpfner, M; Glatthor, N

2015-01-01

Multiyear simulations with the atmospheric chemistry general circulation model EMAC with a microphysical modal aerosol module at high vertical resolution demonstrate that the sulfur gases COS and SO2, the latter from low-latitude and midlatitude volcanic eruptions, predominantly control the formation of stratospheric aerosol. Marine dimethyl sulfide (DMS) and other SO2 sources, including strong anthropogenic emissions in China, are found to play a minor role except in the lowermost stratosphere. Estimates of volcanic SO2 emissions are based on satellite observations using Total Ozone Mapping Spectrometer and Ozone Monitoring Instrument for total injected mass and Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) on Envisat or Stratospheric Aerosol and Gases Experiment for the spatial distribution. The 10 year SO2 and COS data set of MIPAS is also used for model evaluation. The calculated radiative forcing of stratospheric background aerosol including sulfate from COS and small contributions by DMS oxidation, and organic aerosol from biomass burning, is about 0.07W/m2. For stratospheric sulfate aerosol from medium and small volcanic eruptions between 2005 and 2011 a global radiative forcing up to 0.2W/m2 is calculated, moderating climate warming, while for the major Pinatubo eruption the simulated forcing reaches 5W/m2, leading to temporary climate cooling. The Pinatubo simulation demonstrates the importance of radiative feedback on dynamics, e.g., enhanced tropical upwelling, for large volcanic eruptions. PMID:25932352

Applications of Coherent Radiation from Electrons traversing Crystals

NASA Astrophysics Data System (ADS)

Überall, H.

2000-04-01

Historically, the first types of coherent radiation from electrons traversing crystals studied were coherent bremsstrahlung (CB: Dyson and Überall 1955; Überall 1956, 1962) and channeling radiation (CR: Kumakhov, 1976) which produce quasimonochromatic X-rays and γ-rays, as well as parametric X-rays (Baryshevsky and Feranchuk, 1983). Related non-crystal sources are transition radiation and synchrotron radiation. We here present a comparison of radiation types from these sources, and we discuss a series of their possible applications, namely (a) CR: X-ray lithography, angiography, structure analysis of macromolecules, and trace element analysis, and (b) for CB: Radiography, use as a neutron source, elemental analysis, radiation therapy, and radioisotope production for commercial or medical use. CR and CB are very intense sources, needing only low-energy, moderately-priced electron linacs for their generation, hence competing with (or surpassing) more conventional X-ray sources intensity-wise and from a cost standpoint.

Eleventh international symposium on radiopharmaceutical chemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

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.

Radiation processing applications in the Czechoslovak water treatment technologies

NASA Astrophysics Data System (ADS)

Vacek, K.; Pastuszek, F.; Sedláček, M.

The regeneration of biologically clogged water wells by radiation proved to be a successful and economically beneficial process among other promising applications of ionizing radiation in the water supply technology. The application conditions and experience are mentioned. The potential pathogenic Mycobacteria occuring in the warm washing and bathing water are resistant against usual chlorine and ozone concentrations. The radiation sensitivity of Mycobacteria allowed to suggest a device for their destroying by radiation. Some toxic substances in the underground water can be efficiently degraded by gamma radiation directly in the wells drilled as a hydraulic barrier surrounding the contaminated land area. Substantial decrease of CN - concentration and C.O.D. value was observed in water pumped from such well equipped with cobalt sources and charcoal. The removing of pathogenic contamination remains to be the main goal of radiation processing in the water purification technologies. The decrease of liquid sludge specific filter resistance and sedimentation acceleration by irradiation have a minor technological importance. The hygienization of sludge cake from the mechanical belt filter press by electron beam appears to be the optimum application in the Czechoslovak conditions. The potatoes and barley crop yields from experimental plots treated with sludge were higher in comparison with using the manure. Biological sludge from the municipal and food industry water purification plants contains nutritive components. The proper hygienization is a necessary condition for using them as a livestock feed supplement. Feeding experiments with broilers and pigs confirmed the possibility of partial (e.g. 50%) replacement of soya-, bone- or fish flour in feed mixtures by dried sludge hygienized either by heat or by the irradiation.

Stratospheric Heterogeneous Chemistry and Microphysics: Model Development, Validation and Applications

NASA Technical Reports Server (NTRS)

Turco, Richard P.

1996-01-01

being systematically evaluated to identify the principal relationships between ozone loss and aerosol state. Under this project, we formulated a detailed quantitative model that predicts the multicomponent composition of sulfate aerosols under stratospheric conditions, including sulfuric, nitric, hydrochloric, hydrofluoric and hydrobromic acids. This work defined for the first time the behavior of liquid ternary-system type-1b PSCS. The model also allows the compositions and reactivities of sulfate aerosols to be calculated over the entire range of environmental conditions encountered in the stratosphere (and has been incorporated into a trajectory/microphysics model-see above). Important conclusions that derived from this work over the last few years include the following: the HNO3 content of liquid-state aerosols dominate PSCs below about 195 K; the freezing of nitric acid ice from sulfate aerosol solutions is likely to occur within a few degrees K of the water vapor frost point; the uptake and reactions of HCl in liquid aerosols is a critical component of PSC heterogeneous chemistry. In a related application of this work, the inefficiency of chlorine injection into the stratosphere during major volcanic eruptions was explained on the basis of nucleation of sulfuric acid aerosols in rising volcanic plumes leading to the formation of supercooled water droplets on these aerosols, which efficiently scavenges HCl via precipitation.

Compact dry chemistry instruments.

PubMed

Terashima, K; Tatsumi, N

1999-01-01

Compact dry chemistry instruments are designed for use in point-of-care-testing (POCT). These instruments have a number of advantages, including light weight, compactness, ease of operation, and the ability to provide accurate results in a short time with a very small sample volume. On the other hand, reagent costs are high compared to liquid method. Moreover, differences in accuracy have been found between dry chemistry and the liquid method in external quality assessment scheme. This report examines reagent costs and shows how the total running costs associated with dry chemistry are actually lower than those associated with the liquid method. This report also describes methods for minimizing differences in accuracy between dry chemistry and the liquid method. Use of these measures is expected to increase the effectiveness of compact dry chemistry instruments in POCT applications.

Radiation Detection for Homeland Security Applications

NASA Astrophysics Data System (ADS)

Ely, James

2008-05-01

In the past twenty years or so, there have been significant changes in the strategy and applications for homeland security. Recently there have been significant at deterring and interdicting terrorists and associated organizations. This is a shift in the normal paradigm of deterrence and surveillance of a nation and the `conventional' methods of warfare to the `unconventional' means that terrorist organizations resort to. With that shift comes the responsibility to monitor international borders for weapons of mass destruction, including radiological weapons. As a result, countries around the world are deploying radiation detection instrumentation to interdict the illegal shipment of radioactive material crossing international borders. These efforts include deployments at land, rail, air, and sea ports of entry in the US and in European and Asian countries. Radioactive signatures of concern include radiation dispersal devices (RDD), nuclear warheads, and special nuclear material (SNM). Radiation portal monitors (RPMs) are used as the main screening tool for vehicles and cargo at borders, supplemented by handheld detectors, personal radiation detectors, and x-ray imaging systems. This talk will present an overview of radiation detection equipment with emphasis on radiation portal monitors. In the US, the deployment of radiation detection equipment is being coordinated by the Domestic Nuclear Detection Office within the Department of Homeland Security, and a brief summary of the program will be covered. Challenges with current generation systems will be discussed as well as areas of investigation and opportunities for improvements. The next generation of radiation portal monitors is being produced under the Advanced Spectroscopic Portal program and will be available for deployment in the near future. Additional technologies, from commercially available to experimental, that provide additional information for radiation screening, such as density imaging equipment, will

Radiation Issues and Applications of Floating Gate Memories

NASA Technical Reports Server (NTRS)

Scheick, L. Z.; Nguyen, D. N.

2000-01-01

The radiation effects that affect various systems that comprise floating gate memories are presented. The wear-out degradation results of unirradiated flash memories are compared to irradiated flash memories. The procedure analyzes the failure to write and erase caused by wear-out and degradation of internal charge pump circuits. A method is described for characterizing the radiation effects of the floating gate itself. The rate dependence, stopping power dependence, SEU susceptibility and applications of floating gate in radiation environment are presented. The ramifications for dosimetry and cell failure are discussed as well as for the long term use aspects of non-volatile memories.

Incorporation of Medicinal Chemistry into the Organic Chemistry Curriculum

ERIC Educational Resources Information Center

Forbes, David C.

2004-01-01

Application of concepts presented in organic chemistry lecture using a virtual project involving the sythesis of medicinally important compounds is emphasized. The importance of reinforcing the concepts from lecture in lab, thus providing a powerful instructional means is discussed.

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

PubMed

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

2014-10-03

Graphene, a single layer of carbon atoms densely packed into a honeycomb crystal lattice with unique electronic, chemical, and mechanical properties, is the 2D allotrope of carbon. Owing to the remarkable properties, graphene and graphene-based materials are likely to find potential applications as a sorbent in analytical chemistry. The current review focuses predominantly on the recent development of graphene-based materials and demonstrates their enhanced performance in adsorption of organic compounds, metal ions, and solid phase extraction as well as in separation science since mostly 2012. Copyright © 2014 Elsevier B.V. All rights reserved.

Application of radiation processing in asia and the pacific region: Focus on malaysia

NASA Astrophysics Data System (ADS)

Mohd Dahlan, Khairul Zaman HJ.

1995-09-01

Applications of radiation processing in Malaysia and other developing countries in Asia and the Pacific region is increasing as the countries move toward industrialisation. At present, there are more than 85 gamma facilities and 334 electron accelerators in Asia and the Pacific region which are mainly in Japan, Rep. of Korea and China. The main applications which are in the interest of the region are radiation sterilisation of medical products; radiation crosslinking of wire and cable, heat shrinkable film and tube, and foam; radiation curing of surface coatings, printing inks and adhesive; radiation vulcanisation of natural rubber latex; radiation processing of agro-industrial waste; radiation treatment of sewage sludge and municipal waste; food irradiation; tissue grafts and radiation synthesis of bioactive materials.

Impact of UV-A radiation on the performance of aphids and whiteflies and on the leaf chemistry of their host plants.

PubMed

Dáder, Beatriz; Gwynn-Jones, Dylan; Moreno, Aránzazu; Winters, Ana; Fereres, Alberto

2014-09-05

Ultraviolet (UV) radiation directly regulates a multitude of herbivore life processes, in addition to indirectly affecting insect success via changes in plant chemistry and morphogenesis. Here we looked at plant and insect (aphid and whitefly) exposure to supplemental UV-A radiation in the glasshouse environment and investigated effects on insect population growth. Glasshouse grown peppers and eggplants were grown from seed inside cages covered by novel plastic filters, one transparent and the other opaque to UV-A radiation. At a 10-true leaf stage for peppers (53 days) and 4-true leaf stage for eggplants (34 days), plants were harvested for chemical analysis and infested by aphids and whiteflies, respectively. Clip-cages were used to introduce and monitor the insect fitness and populations of the pests studied. Insect pre-reproductive period, fecundity, fertility and intrinsic rate of natural increase were assessed. Crop growth was monitored weekly for 7 and 12 weeks throughout the crop cycle of peppers and eggplants, respectively. At the end of the insect fitness experiment, plants were harvested (68 days and 18-true leaf stage for peppers, and 104 days and 12-true leaf stage for eggplants) and leaves analysed for secondary metabolites, soluble carbohydrates, amino acids, total proteins and photosynthetic pigments. Our results demonstrate for the first time, that UV-A modulates plant chemistry with implications for insect pests. Both plant species responded directly to UV-A by producing shorter stems but this effect was only significant in pepper whilst UV-A did not affect the leaf area of either species. Importantly, in pepper, the UV-A treated plants contained higher contents of secondary metabolites, leaf soluble carbohydrates, free amino acids and total content of protein. Such changes in tissue chemistry may have indirectly promoted aphid performance. For eggplants, chlorophylls a and b, and carotenoid levels decreased with supplemental UV-A over the entire

Green analytical chemistry--theory and practice.

PubMed

Tobiszewski, Marek; Mechlińska, Agata; Namieśnik, Jacek

2010-08-01

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

Unraveling the Reaction Chemistry of Icy Ocean World Surfaces

NASA Astrophysics Data System (ADS)

Hudson, R.; Loeffler, M. J.; Gerakines, P.

2017-12-01

The diverse endogenic chemistry of ocean worlds can be divided among interior, surface, and above-surface process, with contributions from exogenic agents such as solar, cosmic, and magnetospheric radiation. Bombardment from micrometeorites to comets also can influence chemistry by both delivering new materials and altering pre-existing ones, and providing energy to drive reactions. Geological processes further complicate the chemistry by transporting materials from one environment to another. In this presentation the focus will be on some of the thermally driven and radiation-induced changes expected from icy materials, primarily covalent and ionic compounds. Low-temperature conversions of a few relatively simple molecules into ions possessing distinct infrared (IR) features will be covered, with an emphasis on such features as might be identified through either orbiting spacecraft or landers. The low-temperature degradation of a few bioorganic molecules, such as DNA nucleobases and some common amino acids, will be used as examples of the more complex, and potentially misleading, chemistry expected for icy moons of the outer solar system. This work was supported by NASA's Emerging Worlds and Outer Planets Research programs, as well as the NASA Astrobiology Institute's Goddard Center for Astrobiology.

Impact of surface chemistry

PubMed Central

Somorjai, Gabor A.; Li, Yimin

2011-01-01

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

Experimental and modeling studies of small molecule chemistry in expanding spherical flames

NASA Astrophysics Data System (ADS)

Santner, Jeffrey

Accurate models of flame chemistry are required in order to predict emissions and flame properties, such that clean, efficient engines can be designed more easily. There are three primary methods used to improve such combustion chemistry models - theoretical reaction rate calculations, elementary reaction rate experiments, and combustion system experiments. This work contributes to model improvement through the third method - measurements and analysis of the laminar burning velocity at constraining conditions. Modern combustion systems operate at high pressure with strong exhaust gas dilution in order to improve efficiency and reduce emissions. Additionally, flames under these conditions are sensitized to elementary reaction rates such that measurements constrain modeling efforts. Measurement conditions of the present work operate within this intersection between applications and fundamental science. Experiments utilize a new pressure-release, heated spherical combustion chamber with a variety of fuels (high hydrogen content fuels, formaldehyde (via 1,3,5-trioxane), and C2 fuels) at pressures from 0.5--25 atm, often with dilution by water vapor or carbon dioxide to flame temperatures below 2000 K. The constraining ability of these measurements depends on their uncertainty. Thus, the present work includes a novel analytical estimate of the effects of thermal radiative heat loss on burning velocity measurements in spherical flames. For 1,3,5-trioxane experiments, global measurements are sufficiently sensitive to elementary reaction rates that optimization techniques are employed to indirectly measure the reaction rates of HCO consumption. Besides the influence of flame chemistry on propagation, this work also explores the chemistry involved in production of nitric oxide, a harmful pollutant, within flames. We find significant differences among available chemistry models, both in mechanistic structure and quantitative reaction rates. There is a lack of well

Novel self-healing materials chemistries for targeted applications

NASA Astrophysics Data System (ADS)

Wilson, Gerald O.

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

Ligand-directed tosyl chemistry for in situ native protein labeling and engineering in living systems: from basic properties to applications.

PubMed

Tsukiji, Shinya; Hamachi, Itaru

2014-08-01

The ability to introduce any chemical probe to any endogenous target protein in its native environment, that is in cells and in vivo, is anticipated to provide various new exciting tools for biological and biomedical research. Although still at the prototype stage, the ligand-directed tosyl (LDT) chemistry is a novel type of affinity labeling technique that we developed for such a dream. This chemistry allows for modifying native proteins by various chemical probes with high specificity in various biological settings ranging from in vitro (in test tubes) to in living cells and in vivo. Since the first report, the list of proteins that are successfully labeled by the LDT chemistry has been increasing. A growing number of studies have demonstrated its utility to create semisynthetic proteins directly in cellular contexts. The in situ generated semisynthetic proteins are applicable for various types of analysis and imaging of intracellular biological processes. In this review, we summarize the basic properties of the LDT chemistry and its applications toward in situ engineering and analysis of native proteins in living systems. Current limitations and future challenges of this area are also described. Copyright © 2014 Elsevier Ltd. All rights reserved.

Chemistry Notes.

ERIC Educational Resources Information Center

School Science Review, 1983

1983-01-01

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

Main functions, recent updates, and applications of Synchrotron Radiation Workshop code

NASA Astrophysics Data System (ADS)

Chubar, Oleg; Rakitin, Maksim; Chen-Wiegart, Yu-Chen Karen; Chu, Yong S.; Fluerasu, Andrei; Hidas, Dean; Wiegart, Lutz

2017-08-01

The paper presents an overview of the main functions and new application examples of the "Synchrotron Radiation Workshop" (SRW) code. SRW supports high-accuracy calculations of different types of synchrotron radiation, and simulations of propagation of fully-coherent radiation wavefronts, partially-coherent radiation from a finite-emittance electron beam of a storage ring source, and time-/frequency-dependent radiation pulses of a free-electron laser, through X-ray optical elements of a beamline. An extended library of physical-optics "propagators" for different types of reflective, refractive and diffractive X-ray optics with its typical imperfections, implemented in SRW, enable simulation of practically any X-ray beamline in a modern light source facility. The high accuracy of calculation methods used in SRW allows for multiple applications of this code, not only in the area of development of instruments and beamlines for new light source facilities, but also in areas such as electron beam diagnostics, commissioning and performance benchmarking of insertion devices and individual X-ray optical elements of beamlines. Applications of SRW in these areas, facilitating development and advanced commissioning of beamlines at the National Synchrotron Light Source II (NSLS-II), are described.

Review of the Global Models Used Within Phase 1 of the Chemistry-Climate Model Initiative (CCMI)

NASA Technical Reports Server (NTRS)

Morgenstern, Olaf; Hegglin, Michaela I.; Rozanov, Eugene; O’Connor, Fiona M.; Abraham, N. Luke; Akiyoshi, Hideharu; Archibald, Alexander T.; Bekki, Slimane; Butchart, Neal; Chipperfield, Martyn P.;

Radiation curing progress in Hungary

NASA Astrophysics Data System (ADS)

Czvikovszky, T.

Radiation chemistry and radiation processing is an actively cultivated field of chemical technology and of applied research in several Central/Eastern European countries. Hungary, with his synthetic polymer production over 50 kg/capita/year, with his strong commitment in nuclear power production /almost 40 % of total electric power/, with his pioneering activity in food irradiation, radiation sterilization as well as EB processing of polymer — performs an iniciating role in this region. Actually four industrial EB machines are working in Hungary on plastics converting. Two of these accelerators, manufactured in SU are producing heat-shrinkable products. Two other, low-energy EB machines from FRG are working on industrial-scale surface-coating. An ELECTROCURTAIN /USA/ is serving R/D. Some actual problems of the applied radiation chemistry of EB-curing will be discussed.

Biocompatible Surface Chemistry Manipulation of Gold Nanorods Preserves Optical Properties for Bio-Imaging Applications

DTIC Science & Technology

2015-12-18

3. DATES COVERED (From - To) March 2014 – Sept 2014 4. TITLE AND SUBTITLE Biocompatible surface chemistry manipulation of gold nanorods preserves...Due to their anisotropic shape, gold nanorods (GNRs) possess a number of advantages for biosystem use including, enhanced surface area and tunable...intracellular aggregation of MTAB-TA GNRs, and identify them as prime andidates for use in nanobased bio-imaging applications. 15. SUBJECT TERMS Gold

An assessment of inservice training on the applications in biology/chemistry curriculum from the Center of Occupational Research and Development

NASA Astrophysics Data System (ADS)

Jobe, Robert Dale

Scope and method of study. The scope of the study consisted of respondents to a survey sent to all the participants of the inservice workshops for the Applied Biology/Chemistry curriculum from CORD. One hundred and six surveys were sent to teachers trained for Applied Biology/Chemistry classes for high school credit as a laboratory science requirement. Sixty-two people returned the questionnaire who were present or past teachers of Applied Biology/Chemistry classes for high school credit. The study assessed the participants' expectations and satisfaction with inservice training provided for certification in Oklahoma over the past five years. A common set of objectives that participants rated for importance to philosophy and strategies needed to successfully teach Applications in Biology/Chemistry using the curriculum written by the Center for Occupational Research and Development was evaluated for significance. Findings and conclusions. The analysis of the data revealed that the respondents' expectations and satisfaction were both above average for the workshop they attended. Therefore, it was concluded that the first seventeen objectives of this study should be the mainstay of any workshop used to train future teachers of Applications of Biology/Chemistry for high school credit. Eleven of the first seventeen questions (objectives) were found to be statistically significant at the alpha =.05 level. Therefore it was concluded that an increased emphasis on instruction in the guideline (objectives) areas that were statistically significant should be provided in future workshops. The respondents' answers to the survey questions provided insight on the time line configuration and structure of future workshops for teachers of Application in Biology/Chemistry for high school credit. Therefore it was concluded that workshops should be ten days in length, 6-8 hours a day of instruction, with follow-up sessions offered, college credit given and a stipend awarded. The days

Chemistry and cosmology.

PubMed

Black, John H

2006-01-01

The simplest elements, hydrogen and helium, offer a remarkably rich chemistry, which has controlled crucial features of the early evolution of the universe. Theoretical models of the origin of structure (stars, galaxies, clusters of galaxies, etc.) now incorporate this chemistry in some detail. In addition to the origin of structure, cosmologists are concerned with observational tests of competing world models. Primordial chemistry may give rise to some of the earliest departures from thermodynamic equilibrium in the universe. These effects may be observable as broad-band spectroscopic distortions of the cosmic background radiation, which otherwise exhibits a nearly perfect blackbody spectrum. The chemical history of the expanding universe is followed through a detailed calculation of the evolution of the abundances of H, H+, H-, H2, H2+, H3+, and other minor species. It is shown that continuous absorption by the small concentration of H- can produce a distortion in the cosmic background spectrum with a maximum at a frequency near nu/c = 9 cm-1 (wavelength 1.1 mm). The predicted effect lies only a factor of 5 below current limits. Its detection would provide an important test of our understanding of the recombination epoch of the universe.

Chemistry in the Two-Year College, Vol. 11, 1973.

ERIC Educational Resources Information Center

Bardole, Jay, Ed.; Bardole, Ellen, Ed.

This publication, issued twice per year, includes proceedings from Two-Year College Chemistry Conferences and papers of special interest to the two-year college chemistry teacher. Relevant applications of chemistry are discussed, including the chemistry of flame retardance and photographic processes. Also discussed are topics related to the…

Supramolecular analytical chemistry.

PubMed

Anslyn, Eric V

2007-02-02

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.

11th International Conference of Radiation Research

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1999-07-18

Topics discussed in the conference included the following: Radiation Physics, Radiation Chemistry and modelling--Radiation physics and dosimetry; Electron transfer in biological media; Radiation chemistry; Biophysical and biochemical modelling; Mechanisms of DNA damage; Assays of DNA damage; Energy deposition in micro volumes; Photo-effects; Special techniques and technologies; Oxidative damage. Molecular and cellular effects-- Photobiology; Cell cycle effects; DNA damage: Strand breaks; DNA damage: Bases; DNA damage Non-targeted; DNA damage: other; Chromosome aberrations: clonal; Chromosomal aberrations: non-clonal; Interactions: Heat/Radiation/Drugs; Biochemical effects; Protein expression; Gene induction; Co-operative effects; ``Bystander'' effects; Oxidative stress effects; Recovery from radiation damage. DNA damage and repair -- DNAmore » repair genes; DNA repair deficient diseases; DNA repair enzymology; Epigenetic effects on repair; and Ataxia and ATM.« less

An Industrially Developed Basic Chemistry Course.

ERIC Educational Resources Information Center

Collins, L. W.; Haws, L. D.

1979-01-01

Describes a practical, job-related, 3 1/2 month long, basic chemistry course developed by Monsanto Research Corporation to train laboratory technicians and service employees. The course, centered around 31 chemistry topics, is designed to supplement university courses and stresses application of concepts. (BT)

Flow chemistry to control the synthesis of nano and microparticles for biomedical applications.

PubMed

Hassan, Natalia; Oyarzun-Ampuero, Felipe; Lara, Pablo; Guerrero, Simón; Cabuil, Valérie; Abou-Hassan, Ali; Kogan, Marcelo J

2014-03-01

In this article we review the flow chemistry methodologies for the controlled synthesis of different kind of nano and microparticles for biomedical applications. Injection mechanism has emerged as new alternative for the synthesis of nanoparticles due to this strategy allows achieving superior levels of control of self-assemblies, leading to higher-ordered structures and rapid chemical reactions. Self-assembly events are strongly dependent on factors such as the local concentration of reagents, the mixing rates, and the shear forces, which can be finely tuned, as an example, in a microfluidic device. Injection methods have also proved to be optimal to elaborate microsystems comprising polymer solutions. Concretely, extrusion based methods can provide controlled fluid transport, rapid chemical reactions, and cost-saving advantages over conventional reactors. We provide an update of synthesis of nano and microparticles such as core/shell, Janus, nanocrystals, liposomes, and biopolymeric microgels through flow chemistry, its potential bioapplications and future challenges in this field are discussed.

Bioorthogonal chemistry in bioluminescence imaging.

PubMed

Godinat, Aurélien; Bazhin, Arkadiy A; Goun, Elena A

2018-05-18

Bioorthogonal chemistry has developed significant over the past few decades, to the particular benefit of molecular imaging. Bioluminescence imaging (BLI) along with other imaging modalities have significantly benefitted from this chemistry. Here, we review bioorthogonal reactions that have been used to signific antly broaden the application range of BLI. Copyright © 2018. Published by Elsevier Ltd.

Cycloadditions in modern polymer chemistry.

PubMed

Delaittre, Guillaume; Guimard, Nathalie K; Barner-Kowollik, Christopher

2015-05-19

Synthetic polymer chemistry has undergone two major developments in the last two decades. About 20 years ago, reversible-deactivation radical polymerization processes started to give access to a wide range of polymeric architectures made from an almost infinite reservoir of functional building blocks. A few years later, the concept of click chemistry revolutionized the way polymer chemists approached synthetic routes. Among the few reactions that could qualify as click, the copper-catalyzed azide-alkyne cycloaddition (CuAAC) initially stood out. Soon, many old and new reactions, including cycloadditions, would further enrich the synthetic macromolecular chemistry toolbox. Whether click or not, cycloadditions are in any case powerful tools for designing polymeric materials in a modular fashion, with a high level of functionality and, sometimes, responsiveness. Here, we wish to describe cycloaddition methodologies that have been reported in the last 10 years in the context of macromolecular engineering, with a focus on those developed in our laboratories. The overarching structure of this Account is based on the three most commonly encountered cycloaddition subclasses in organic and macromolecular chemistry: 1,3-dipolar cycloadditions, (hetero-)Diels-Alder cycloadditions ((H)DAC), and [2+2] cycloadditions. Our goal is to briefly describe the relevant reaction conditions, the advantages and disadvantages, and the realized polymer applications. Furthermore, the orthogonality of most of these reactions is highlighted because it has proven highly beneficial for generating unique, multifunctional polymers in a one-pot reaction. The overview on 1,3-dipolar cycloadditions is mostly centered on the application of CuAAC as the most travelled route, by far. Besides illustrating the capacity of CuAAC to generate complex polymeric architectures, alternative 1,3-dipolar cycloadditions operating without the need for a catalyst are described. In the area of (H)DA cycloadditions

Teaching social responsibility in analytical chemistry.

PubMed

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

2013-07-02

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

Polymer Chemistry

NASA Technical Reports Server (NTRS)

Williams, Martha; Roberson, Luke; Caraccio, Anne

2010-01-01

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

OCRA, a Mobile Learning Prototype for Understanding Chemistry Concepts

ERIC Educational Resources Information Center

Shariman, Tenku Putri Norishah; Talib, Othman

2017-01-01

This research studies the effects of an interactive multimedia mobile learning application on students' understanding of chemistry concepts. The Organic Chemistry Reaction Application (OCRA), a mobile learning prototype with touch screen commands, was applied in this research. Through interactive multimedia techniques, students can create and…

Radiation safety standards and their application: international policies and current issues.

PubMed

González, Abel J

2004-09-01

This paper briefly describes the current policies of the United Nations Scientific Committee on the Effects of Atomic Radiation and the International Commission on Radiological Protection and how these policies are converted into international radiation safety standards by the International Atomic Energy Agency, which is the only global organization-within the United Nations family of international agencies-with a statutory mandate not only to establish such standards but also to provide for their application. It also summarizes the current status of the established corpus of such international standards, and of it foreseeable evolution, as well as of legally binding undertakings by countries around the world that are linked to these standards. Moreover, this paper also reviews some major current global issues related to the application of international standards, including the following: strengthening of national infrastructures for radiation safety, including technical cooperation programs for assisting developing countries; occupational radiation safety challenges, including the protection of pregnant workers and their unborn children, dealing with working environments with high natural radiation levels, and occupational attributability of health effects (probability of occupational causation); restricting discharges of radioactive substances into the environment: reviewing current international policies vis-a-vis the growing concern on the radiation protection of the "environment;" radiological protection of patients undergoing radiodiagnostic and radiotherapeutic procedures: the current International Action Plan; safety and security of radiation sources: post-11 September developments; preparedness and response to radiation emergencies: enhancing the international network; safe transport of radioactive materials: new apprehensions; safety of radioactive waste management: concerns and connections with radiation protection; and radioactive residues remaining

Recent Developments and Applications of Radiation/Detection Technology in Tsinghua University

NASA Astrophysics Data System (ADS)

Kang, Ke-Jun

2010-03-01

Nuclear technology applications have been very important research fields in Tsinghua University (THU) for more than 50 years. This paper describes two major directions and related projects running in THU concerning nuclear technology applications for radiation imaging and nuclear technology applications for astrophysics. Radiation imaging is a significant application of nuclear technology for all kinds of real world needs including security inspections, anti-smuggling operations, and medicine. The current improved imaging systems give much higher quality radiation images. THU has produced accelerating tubes for both industrial and medical accelerators with energy levels ranging from 2.5˜20Mev. Detectors have been produced for medical and industrial imaging as well as for high energy physics experiments such as the MRPC with fast time and position resolutions. DR and CT systems for radiation imaging systems have been continuously improved with new system designs and improved algorithms for image reconstruction and processing. Two important new key initiatives are the dual-energy radiography and dual-energy CT systems. Dual-energy CT imaging improves material discrimination by providing both the electron density and the atomic number distribution of scanned objects. Finally, this paper also introduces recent developments related to the hard X-ray modulation telescope (HXMT) provided by THU.

Ice Chemistry in Interstellar Dense Molecular Clouds, Protostellar Disks, and Comets

NASA Technical Reports Server (NTRS)

Sandford, Scott A.

2015-01-01

Despite the low temperatures (T less than 20K), low pressures, and low molecular densities found in much of the cosmos, considerable chemistry is expected to occur in many astronomical environments. Much of this chemistry happens in icy grain mantles on dust grains and is driven by ionizing radiation. This ionizing radiation breaks chemical bonds of molecules in the ices and creates a host of ions and radicals that can react at the ambient temperature or when the parent ice is subsequently warmed. Experiments that similar these conditions have demonstrated a rich chemistry associated with these environments that leads to a wide variety of organic products. Many of these products are of considerable interest to astrobiology. For example, the irradiation of simple ices has been shown to abiotically produce amino acids, nucleobases, quinones, and amphiphiles, all compounds that play key roles in modern biochemistry. This suggests extraterrestrial chemistry could have played a role in the origin of life on Earth and, by extension, do so on planets in other stellar systems.

Mass spectrometry. [in organic ion and biorganic chemistry and medicine

NASA Technical Reports Server (NTRS)

Burlingame, A. L.; Cox, R. E.; Derrick, P. J.

1974-01-01

Review of the present status of mass spectrometry in the light of pertinent recent publications spanning the period from December 1971 to January 1974. Following an initial survey of techniques, instruments, and computer applications, a sharp distinction is made between the chemistry of organic (radical-)ions and analytical applications in biorganic chemistry and medicine. The emphasis is on the chemistry of organic (radical-)ions at the expense of inorganic, organometallic, and surface ion chemistry. Biochemistry and medicine are chosen because of their contemporary importance and because of the stupendous contributions of mass spectroscopy to these fields in the past two years. In the review of gas-phase organic ion chemistry, special attention is given to studies making significant contributions to the understanding of ion chemistry.

Physical Chemistry in Practice: Evaluation of DVD Modules

ERIC Educational Resources Information Center

Dyer, James U.; Towns, Marcy; Weaver, Gabriela C.

2007-01-01

The Physical Chemistry in Practice (PCIP) DVD contains video programs (modules) and experimental data that present the research of scientists working in applications of physical chemistry. The DVD allows students to learn about cutting edge research in physical chemistry while making connections to the theoretical concepts learned in lecture.…

Chemistry of Protostellar Envelopes and Disks

NASA Astrophysics Data System (ADS)

Flores Rivera, Lizxandra; Terebey, Susan; Willacy, Karen

2018-06-01

Molecule formation is dynamic during the protostar collapse phase, driven by changes in temperature, density, and UV radiation as gas and dust flows from the envelope onto the forming protoplanetary disk. In this work, we compare physical models based on two different collapse solutions. We modeled the chemistry (created by Karen Willacy) for C18O to see how its abundance changes over time using as primary input parameters the temperature and density profile that were produced by the dust Radiative Transfer (MCRT) model called HOCHUNK3D from Whitney (2003). Given this model, we produce synthetic line emission maps from L1527 IRS to simulate the Class 0/I protostar L1527 IRS using RADMC3D code and compare them with previous observations from ALMA. High concentrations of gas phase molecules of C18O are found within the 20 AU in areas in the envelope that are close to the surface of the disk. In the outermost part of the disk surface, the C18O freezes out beyond 400 AU, showing a much reduced abundance where the temperature profile drops down below 25 K. In cold regions, the radiation field plays an important role in the chemistry.

Use of combinatorial chemistry to speed drug discovery.

PubMed

Rádl, S

1998-10-01

IBC's International Conference on Integrating Combinatorial Chemistry into the Discovery Pipeline was held September 14-15, 1998. The program started with a pre-conference workshop on High-Throughput Compound Characterization and Purification. The agenda of the main conference was divided into sessions of Synthesis, Automation and Unique Chemistries; Integrating Combinatorial Chemistry, Medicinal Chemistry and Screening; Combinatorial Chemistry Applications for Drug Discovery; and Information and Data Management. This meeting was an excellent opportunity to see how big pharma, biotech and service companies are addressing the current bottlenecks in combinatorial chemistry to speed drug discovery. (c) 1998 Prous Science. All rights reserved.

Diffracted diffraction radiation and its application to beam diagnostics

NASA Astrophysics Data System (ADS)

Goponov, Yu. A.; Shatokhin, R. A.; Sumitani, K.; Syshchenko, V. V.; Takabayashi, Y.; Vnukov, I. E.

2018-03-01

We present theoretical considerations for diffracted diffraction radiation and also propose an application of this process to diagnosing ultra-relativistic electron (positron) beams for the first time. Diffraction radiation is produced when relativistic particles move near a target. If the target is a crystal or X-ray mirror, diffraction radiation in the X-ray region is expected to be diffracted at the Bragg angle and therefore be detectable. We present a scheme for applying this process to measurements of the beam angular spread, and consider how to conduct a proof-of-principle experiment for the proposed method.

Tropospheric Ozone Changes, Radiative Forcing and Attribution to Emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

NASA Technical Reports Server (NTRS)

Stevenson, D.S.; Young, P.J.; Naik, V.; Lamarque, J.-F.; Shindell, D. T.; Voulgarakis, A.; Skeie, R. B.; Dalsoren, S. B.; Myhre, G.; Berntsen, T. K.;

The Role of Water Chemistry in Marine Aquarium Design: A Model System for a General Chemistry Class

ERIC Educational Resources Information Center

Keaffaber, Jeffrey J.; Palma, Ramiro; Williams, Kathryn R.

2008-01-01

Water chemistry is central to aquarium design, and it provides many potential applications for discussion in undergraduate chemistry and engineering courses. Marine aquaria and their life support systems feature many chemical processes. A life support system consists of the entire recirculation system, as well as the habitat tank and all ancillary…

Effect of a Virtual Chemistry Laboratory on Students' Achievement

ERIC Educational Resources Information Center

Tatli, Zeynep; Ayas, Alipasa

2013-01-01

It is well known that laboratory applications are of significant importance in chemistry education. However, laboratory applications have generally been neglected in recent educational environments for a variety of reasons. In order to address this gap, this study examined the effect of a virtual chemistry laboratory (VCL) on student achievement…

Implementation and application of moving average as continuous analytical quality control instrument demonstrated for 24 routine chemistry assays.

PubMed

Rossum, Huub H van; Kemperman, Hans

2017-07-26

General application of a moving average (MA) as continuous analytical quality control (QC) for routine chemistry assays has failed due to lack of a simple method that allows optimization of MAs. A new method was applied to optimize the MA for routine chemistry and was evaluated in daily practice as continuous analytical QC instrument. MA procedures were optimized using an MA bias detection simulation procedure. Optimization was graphically supported by bias detection curves. Next, all optimal MA procedures that contributed to the quality assurance were run for 100 consecutive days and MA alarms generated during working hours were investigated. Optimized MA procedures were applied for 24 chemistry assays. During this evaluation, 303,871 MA values and 76 MA alarms were generated. Of all alarms, 54 (71%) were generated during office hours. Of these, 41 were further investigated and were caused by ion selective electrode (ISE) failure (1), calibration failure not detected by QC due to improper QC settings (1), possible bias (significant difference with the other analyzer) (10), non-human materials analyzed (2), extreme result(s) of a single patient (2), pre-analytical error (1), no cause identified (20), and no conclusion possible (4). MA was implemented in daily practice as a continuous QC instrument for 24 routine chemistry assays. In our setup when an MA alarm required follow-up, a manageable number of MA alarms was generated that resulted in valuable MA alarms. For the management of MA alarms, several applications/requirements in the MA management software will simplify the use of MA procedures.

A Catalog of Instructional Films for College Chemistry, Serial Publication Number 42.

ERIC Educational Resources Information Center

Schrage, Samuel; And Others

This is a catalog of instructional films for college chemistry, designed for use by chemistry and other science teachers. The films in this catalog are listed in topical arrangement, which consists of (1) preparatory topics, (2) structure, (3) interaction of radiation with matter, (4) physical states, (5) formulas, equations and calculations, (6)…

School Chemistry: The Need for Transgression

ERIC Educational Resources Information Center

Talanquer, Vicente

2013-01-01

Studies of the philosophy of chemistry over the past 15 years suggest that chemistry is a hybrid science which mixes scientific pursuits with technological applications. Dominant universal characterizations of the nature of science thus fail to capture the essence of the discipline. The central goal of this position paper is to encourage…

Radiative interactions in chemically reacting supersonic internal flows

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Chandrasekhar, R.

1991-01-01

The two-dimensional, elliptic Navier-Stokes equations are used to investigate supersonic flows with finite-rate chemistry and radiation for hydrogen-air systems. The chemistry source terms in the species equation is treated implicitly to alleviate the stiffness associated with fast reactions. The explicit, unsplit MacCormack finite-difference scheme is used to advance the governing equations in time, until convergence is achieved. The specific problem considered is the premixed flow in a channel with a ten-degree compression ramp. Three different chemistry models are used, accounting for increasing number of reactions and participating species. Two chemistry models assure nitrogen as inert, while the third model accounts for nitrogen reactions and NO(x) formation. The tangent slab approximation is used in the radiative flux formulation. A pseudo-gray model is used to represent the absorption-emission characteristics of the participating species. Results obtained for specific conditions indicate that the radiative interactions vary substantially, depending on reactions involving HO2 and NO species and that this can have a significant influence on the flowfield.

Radiative sky cooling: fundamental physics, materials, structures, and applications

NASA Astrophysics Data System (ADS)

Sun, Xingshu; Sun, Yubo; Zhou, Zhiguang; Alam, Muhammad Ashraful; Bermel, Peter

2017-07-01

Radiative sky cooling reduces the temperature of a system by promoting heat exchange with the sky; its key advantage is that no input energy is required. We will review the origins of radiative sky cooling from ancient times to the modern day, and illustrate how the fundamental physics of radiative cooling calls for a combination of properties that may not occur in bulk materials. A detailed comparison with recent modeling and experiments on nanophotonic structures will then illustrate the advantages of this recently emerging approach. Potential applications of these radiative cooling materials to a variety of temperature-sensitive optoelectronic devices, such as photovoltaics, thermophotovoltaics, rectennas, and infrared detectors, will then be discussed. This review will conclude by forecasting the prospects for the field as a whole in both terrestrial and space-based systems.

Bridging the Radiative Transfer Models for Meteorology and Solar Energy Applications

NASA Astrophysics Data System (ADS)

Xie, Y.; Sengupta, M.

2017-12-01

Radiative transfer models are used to compute solar radiation reaching the earth surface and play an important role in both meteorology and solar energy studies. Therefore, they are designed to meet the needs of specialized applications. For instance, radiative transfer models for meteorology seek to provide more accurate cloudy-sky radiation compared to models used in solar energy that are geared towards accuracy in clear-sky conditions associated with the maximum solar resource. However, models for solar energy applications are often computationally faster, as the complex solution of the radiative transfer equation is parameterized by atmospheric properties that can be acquired from surface- or satellite-based observations. This study introduces the National Renewable Energy Laboratory's (NREL's) recent efforts to combine the advantages of radiative transfer models designed for meteorology and solar energy applictions. A fast all-sky radiation model, FARMS-NIT, was developed to efficiently compute narrowband all-sky irradiances over inclined photovoltaic (PV) panels. This new model utilizes the optical preperties from a solar energy model, SMARTS, to computes surface radiation by considering all possible paths of photon transmission and the relevent scattering and absorption attenuation. For cloudy-sky conditions, cloud bidirectional transmittance functions (BTDFs) are provided by a precomputed lookup table (LUT) by LibRadtran. Our initial results indicate that FARMS-NIT has an accuracy that is similar to LibRadtran, a highly accurate multi-stream model, but is significantly more efficient. The development and validation of this model will be presented.

Nanoporous Anodic Alumina Platforms: Engineered Surface Chemistry and Structure for Optical Sensing Applications

PubMed Central

Kumeria, Tushar; Santos, Abel; Losic, Dusan

2014-01-01

Electrochemical anodization of pure aluminum enables the growth of highly ordered nanoporous anodic alumina (NAA) structures. This has made NAA one of the most popular nanomaterials with applications including molecular separation, catalysis, photonics, optoelectronics, sensing, drug delivery, and template synthesis. Over the past decades, the ability to engineer the structure and surface chemistry of NAA and its optical properties has led to the establishment of distinctive photonic structures that can be explored for developing low-cost, portable, rapid-response and highly sensitive sensing devices in combination with surface plasmon resonance (SPR) and reflective interference spectroscopy (RIfS) techniques. This review article highlights the recent advances on fabrication, surface modification and structural engineering of NAA and its application and performance as a platform for SPR- and RIfS-based sensing and biosensing devices. PMID:25004150

Optimized thin film coatings for passive radiative cooling applications

NASA Astrophysics Data System (ADS)

Naghshine, Babak B.; Saboonchi, Ahmad

2018-03-01

Passive radiative cooling is a very interesting method, which lays on low atmospheric downward radiation within 8-13 μm waveband at dry climates. Various thin film multilayer structures have been investigated in numerous experimental studies, in order to find better coatings to exploit the full potential of this method. However, theoretical works are handful and limited. In this paper, the Simulated Annealing and Genetic Algorithm are used to optimize a thin film multilayer structure for passive radiative cooling applications. Spectral radiative properties are calculated through the matrix formulation. Considering a wide range of materials, 30 high-potential convective shields are suggested. According to the calculations, cooling can be possible even under direct sunlight, using the introduced shields. Moreover, a few water-soluble materials are studied for the first time and the results show that, a KBr substrate coated by a thin CaF2 or polyethylene film can is very close to an ideal coating for passive radiative cooling at night.

A radiation hardened digital fluxgate magnetometer for space applications

NASA Astrophysics Data System (ADS)

Miles, D. M.; Bennest, J. R.; Mann, I. R.; Millling, D. K.

2013-09-01

Space-based measurements of Earth's magnetic field are required to understand the plasma processes responsible for energising particles in the Van Allen radiation belts and influencing space weather. This paper describes a prototype fluxgate magnetometer instrument developed for the proposed Canadian Space Agency's (CSA) Outer Radiation Belt Injection, Transport, Acceleration and Loss Satellite (ORBITALS) mission and which has applications in other space and suborbital applications. The magnetometer is designed to survive and operate in the harsh environment of Earth's radiation belts and measure low-frequency magnetic waves, the magnetic signatures of current systems, and the static background magnetic field. The new instrument offers improved science data compared to its predecessors through two key design changes: direct digitisation of the sensor and digital feedback from two cascaded pulse-width modulators combined with analog temperature compensation. These provide an increase in measurement bandwidth up to 450 Hz with the potential to extend to at least 1500 Hz. The instrument can resolve 8 pT on a 65 000 nT field with a magnetic noise of less than 10 pT/√Hz at 1 Hz. This performance is comparable with other recent digital fluxgates for space applications, most of which use some form of sigma-delta (ΣΔ) modulation for feedback and omit analog temperature compensation. The prototype instrument was successfully tested and calibrated at the Natural Resources Canada Geomagnetics Laboratory.

Radiation hardening of components and systems for nuclear rocket vehicle applications

NASA Technical Reports Server (NTRS)

Greenhow, W. A.; Cheever, P. R.

1972-01-01

The results of the analysis of the S-2 and S-4B components, although incomplete, indicate that many Saturn 5 components and subsystems, e.g., pumps, valves, etc., can be radiation hardened to meet NRV requirements by material substitution and minor design modifications. Results of these analyses include (1) recommended radiation tolerance limits for over 100 material applications; (2) design data which describes the components of each system; (3) presentation of radiation hardening examples of systems; and (4) designing radiation effects tests to supply data for selecting materials.

Sol-Gel Application for Consolidating Stone: An Example of Project-Based Learning in a Physical Chemistry Lab

ERIC Educational Resources Information Center

de los Santos, Desiree´ M.; Montes, Antonio; Sa´nchez-Coronilla, Antonio; Navas, Javier

2014-01-01

A Project Based Learning (PBL) methodology was used in the practical laboratories of the Advanced Physical Chemistry department. The project type proposed simulates "real research" focusing on sol-gel synthesis and the application of the obtained sol as a stone consolidant. Students were divided into small groups (2 to 3 students) to…

Efforts to control radiation build-up in Ringhals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Egner, K.; Aronsson, P.O.; Erixon, O.

1995-03-01

It is well known that good control of the primary chemistry in a PWR is essential in order to minimize material problems and fuel damages. It has also been well established that the water chemistry has a great influence on accumulation of corrosion products on the fuel and the radiation build-up on primary system surfaces. Ringhals was one of the pioneers to increase operating pH in order to reduce radiation build-up and has now been operating for ten years with pH at 7.4 or (in later years) 7.2. Our experience is favourable and includes low radiation levels in the newmore » (1989) steam generators of Ringhals 2. Ringhals 4 has operated almost its whole life at pH 7.2 or higher and it remains one of the cleanest PWRs of its vintage. In addition to strict adherence to a stable operating chemistry, Ringhals is now working on a program with the aim to find optimum shut-down and start-up chemistry to reduce activity levels in the primary systems. A particular goal is to use the shut-down and start-up chemistry at the 1994 outage in Ringhals 3 in order to reduce doserates in preparation for the planned steam generator replacement in 1995. The paper summarizes the experience to date of the established operating chemistry, on-going tests with modified shut-down and start-up chemistry and other measures to limit or reduce the activity build-up.« less

Hydrothermal carbonization of biomass residuals: A comparative review of the chemistry, processes and applications of wet and dry pyrolysis

USDA-ARS?s Scientific Manuscript database

This paper reviews chemistry, processes and application of hydrothermcally carbonized biomass wastes. Potential feedstock for the hydrothermal carbonization (HTC) includes variety of the non-traditional renewable wet agricultural and municipal waste streams. Pyrolysis and HTC show a comparable calor...

Modeling the Explicit Chemistry of Anthropogenic and Biogenic Organic Aerosols

DOE Office of Scientific and Technical Information (OSTI.GOV)

Madronich, Sasha

2015-12-09

The atmospheric burden of Secondary Organic Aerosols (SOA) remains one of the most important yet uncertain aspects of the radiative forcing of climate. This grant focused on improving our quantitative understanding of SOA formation and evolution, by developing, applying, and improving a highly detailed model of atmospheric organic chemistry, the Generation of Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) model. Eleven (11) publications have resulted from this grant.

Pierre-Joseph Macquer: Chemistry in the French Enlightenment.

PubMed

Lehman, Christine

2014-01-01

Despite recent studies of chemistry courses and of academic research at the beginning of the eighteenth century, the perception of chemistry in the French Enlightenment has often been overshadowed by Lavoisier's works. This article proposes three specific case studies selected from Pierre Joseph Macquer's (1718-84) rich career to show the continuous evolution of chemistry throughout the century: medicinal chemistry through the application of the Comte de La Garaye's metallic salt solutions, the emergence of industrial chemistry through a few of Macquer's evaluations at the Bureau du Commerce, and finally communal academic research through the experiments on diamonds using Tschirnhaus's lens. These examples attempt to illustrate the innovative, creative, dynamic, multicultural, and multifaceted chemistry of the Enlightenment.

IAEA programme in the field of radiation technology

NASA Astrophysics Data System (ADS)

Chmielewski, Andrzej G.; Haji-Saeid, Mohammad

2005-07-01

Radiation technologies applying gamma sources and electron accelerators for material modification are well-established processes. There are over 160 gamma industrial irradiators and 1300 electron industrial accelerators in operation worldwide. A new advancement in the field of radiation sources engineering is the development of high power direct e-/X conversion sources based on electron accelerators. Technologies to be developed beside environmental applications could be nanomaterials, structure engineered materials (sorbents, composites, ordered polymers, etc.) and natural polymers' processing. New products based on radiation-processed polysaccharides have already been commercialised in many countries of the East Asia and Pacific Region, especially in those being rich in natural polymers. Very important and promising applications concern environmental protection-radiation technology, being a clean and environment friendly process, helps to curb pollutants' emission as well. Industrial plants for flue gas treatment have been constructed in Poland and China. The pilot plant in Bulgaria using this technology has just started its operation. The Polish plant is equipped with accelerators of over 1 MW power, a breakthrough in radiation technology application. The industrial plant for wastewater treatment is under development in Korea and a pilot plant for sewage sludge irradiation has been in operation in India for many years. Due to recent developments, the Agency has restructured its programme and organized a Technical Meeting (TM) on "Emerging Applications of Radiation Technology for the 21st Century" at its Headquarters in Vienna, Austria, in April 2003, to review the present situation and possible developments of radiation technology to contribute to a sustainable development. This meeting provided the basic input to launch others in the most important fields of radiation technology applications: "Advances in Radiation Chemistry of Polymers" (Notre Dame, USA

A radiation hardened digital fluxgate magnetometer for space applications

NASA Astrophysics Data System (ADS)

Miles, D. M.; Bennest, J. R.; Mann, I. R.; Millling, D. K.

2013-02-01

Space-based measurements of the Earth's magnetic field are required to understand the plasma processes responsible for energizing particles in the Van Allen radiation belts and influencing space weather. This paper describes a prototype fluxgate magnetometer instrument developed for the proposed Canadian Space Agency (CSA) Outer Radiation Belt Injection, Transport, Acceleration and Loss Satellite (ORBITALS) mission and which has applications in other space and suborbital applications. The magnetometer is designed to survive and operate in the harsh environment of the Earth's radiation belts and measure low-frequency magnetic waves, the magnetic signatures of current systems, and the static background magnetic field. The new instrument offers improved science data compared to its predecessors through two key design changes: direct digitisation of the sensor and digital feedback combined with analog temperature compensation. These provide an increase in measurement bandwidth up to 450 Hz with the potential to extend to at least 1500 Hz. The instrument can resolve 8 pT on a 65 000 nT field with a magnetic noise of less than 10 pT per square-root Hz at 1 Hz. The prototype instrument was successfully tested and calibrated at the Natural Resources Canada Geomagnetics Laboratory showing that the mostly-digital design matches or exceeds its radiation-soft analog predecessor in sensitivity, noise, frequency range, and RMS accuracy.

Radiative sky cooling: fundamental physics, materials, structures, and applications

DOE PAGES

Sun, Xingshu; Sun, Yubo; Zhou, Zhiguang; ...

2017-07-29

Radiative sky cooling reduces the temperature of a system by promoting heat exchange with the sky; its key advantage is that no input energy is required. We will review the origins of radiative sky cooling from ancient times to the modern day, and illustrate how the fundamental physics of radiative cooling calls for a combination of properties that may not occur in bulk materials. A detailed comparison with recent modeling and experiments on nanophotonic structures will then illustrate the advantages of this recently emerging approach. Potential applications of these radiative cooling materials to a variety of temperature-sensitive optoelectronic devices, suchmore » as photovoltaics, thermophotovoltaics, rectennas, and infrared detectors, will then be discussed. This review will conclude by forecasting the prospects for the field as a whole in both terrestrial and space-based systems.« less

Radiative sky cooling: fundamental physics, materials, structures, and applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Xingshu; Sun, Yubo; Zhou, Zhiguang

Radiative sky cooling reduces the temperature of a system by promoting heat exchange with the sky; its key advantage is that no input energy is required. We will review the origins of radiative sky cooling from ancient times to the modern day, and illustrate how the fundamental physics of radiative cooling calls for a combination of properties that may not occur in bulk materials. A detailed comparison with recent modeling and experiments on nanophotonic structures will then illustrate the advantages of this recently emerging approach. Potential applications of these radiative cooling materials to a variety of temperature-sensitive optoelectronic devices, suchmore » as photovoltaics, thermophotovoltaics, rectennas, and infrared detectors, will then be discussed. This review will conclude by forecasting the prospects for the field as a whole in both terrestrial and space-based systems.« less

Thirty years through vanadium chemistry.

PubMed

Costa Pessoa, J

2015-06-01

The relevance of vanadium in biological systems is known for many years and vanadium-based catalysts have important industrial applications, however, till the beginning of the 80s research on vanadium chemistry and biochemistry did not receive much attention from the scientific community. The understanding of the broad bioinorganic implications resulting from the similarities between phosphate and vanadate(V) and the discovery of vanadium dependent enzymes gave rise to an enormous increase in interest in the chemistry and biological relevance of vanadium. Thereupon the last 30years corresponded to a period of enormous research effort in these fields, as well as in medicinal applications of vanadium and in the development of catalysts for use in fine-chemical synthesis, some of these inspired by enzymatic active sites. Since the 80s my group in collaboration with others made contributions, described throughout this text, namely in the understanding of the speciation of vanadium compounds in aqueous solution and in biological fluids, and to the transport of vanadium compounds in blood plasma and their uptake by cells. Several new types of vanadium compounds were also synthesized and characterized, with applications either as prospective therapeutic drugs or as homogeneous or heterogenized catalysts for the production of fine chemicals. The developments made are described also considering the international context of the evolution of the knowledge in the chemistry and bioinorganic chemistry of vanadium compounds during the last 30years. This article was compiled based on the Vanadis Award presentation at the 9th International Vanadium Symposium. Copyright © 2015 Elsevier Inc. All rights reserved.

SPECTROSCOPIC INVESTIGATION OF (NH4)2S TREATED GaSeTe FOR RADIATION DETECTOR APPLICATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, A; Laurence, T; Conway, A

2009-08-04

The surface of the layered III-VI chalcogenide semiconductor GaSeTe was treated with (NH{sub 4}){sub 2}S at 60 C to modify the surface chemistry and determine the effect on transport properties. Room temperature photoluminescence (PL) measurements were used to assess the effect of the (NH{sub 4}){sub 2}S treatment on surface defect states. Evaluation of the subsequent surface chemistry was performed with high-resolution core-level photoemission measurements. Metal overlayers were deposited on the (NH{sub 4}){sub 2}S treated surfaces and the I-V characteristics were measured. The measurements were correlated to understand the effect of (NH{sub 4}){sub 2}S modification of the interfacial electronic structure withmore » the goal of optimizing the metal/GaSeTe interface for radiation detector devices.« less

3D printing in chemistry: past, present and future

NASA Astrophysics Data System (ADS)

Shatford, Ryan; Karanassios, Vassili

2016-05-01

During the last years, 3d printing for rapid prototyping using additive manufacturing has been receiving increased attention in the technical and scientific literature including some Chemistry-related journals. Furthermore, 3D printing technology (defining size and resolution of 3D objects) and properties of printed materials (e.g., strength, resistance to chemical attack, electrical insulation) proved to be important for chemistry-related applications. In this paper these are discussed in detail. In addition, application of 3D printing for development of Micro Plasma Devices (MPDs) is discussed and 2d-profilometry data of a 3D printed surfaces is reported. And, past and present chemistry and bio-related applications of 3D printing are reviewed and possible future directions are postulated.

Evaluation of the new EMAC-SWIFT chemistry climate model

NASA Astrophysics Data System (ADS)

Scheffler, Janice; Langematz, Ulrike; Wohltmann, Ingo; Rex, Markus

2016-04-01

It is well known that the representation of atmospheric ozone chemistry in weather and climate models is essential for a realistic simulation of the atmospheric state. Including atmospheric ozone chemistry into climate simulations is usually done by prescribing a climatological ozone field, by including a fast linear ozone scheme into the model or by using a climate model with complex interactive chemistry. While prescribed climatological ozone fields are often not aligned with the modelled dynamics, a linear ozone scheme may not be applicable for a wide range of climatological conditions. Although interactive chemistry provides a realistic representation of atmospheric chemistry such model simulations are computationally very expensive and hence not suitable for ensemble simulations or simulations with multiple climate change scenarios. A new approach to represent atmospheric chemistry in climate models which can cope with non-linearities in ozone chemistry and is applicable to a wide range of climatic states is the Semi-empirical Weighted Iterative Fit Technique (SWIFT) that is driven by reanalysis data and has been validated against observational satellite data and runs of a full Chemistry and Transport Model. SWIFT has recently been implemented into the ECHAM/MESSy (EMAC) chemistry climate model that uses a modular approach to climate modelling where individual model components can be switched on and off. Here, we show first results of EMAC-SWIFT simulations and validate these against EMAC simulations using the complex interactive chemistry scheme MECCA, and against observations.

Construction of homogenous/heterogeneous hollow mesoporous silica nanostructures by silica-etching chemistry: principles, synthesis, and applications.

PubMed

Chen, Yu; Chen, Hang-Rong; Shi, Jian-Lin

2014-01-21

Colloidal hollow mesoporous silica nanoparticles (HMSNs) are aspecial type of silica-based nanomaterials with penetrating mesopore channels on their shells. HMSNs exhibit unique structural characteristics useful for diverse applications: Firstly, the hollow interiors can function as reservoirs for enhanced loading of guest molecules, or as nanoreactors for the growth of nanocrystals or for catalysis in confined spaces. Secondly, the mesoporous silica shell enables the free diffusion of guest molecules through the intact shell. Thirdly, the outer silica surface is ready for chemical modifications, typically via its abundant Si-OH bonds. As early as 2003, researchers developed a soft-templating methodto prepare hollow aluminosilicate spheres with penetrating mesopores in a cubic symmetry pattern on the shells. However, adapting this method for applications on the nanoscale, especially for biomedicine, has proved difficult because the soft templating micelles are very sensitive to liquid environments, making it difficult to tune key parameters such as dispersity, morphology and structure. In this Account, we present the most recent developments in the tailored construction of highly dispersive and monosized HMSNs using simple silica-etching chemistry, and we discuss these particles' excellent performance in diverse applications. We first introduce general principles of silica-etching chemistry for controlling the chemical composition and the structural parameters (particle size, pore size, etching modalities, yolk-shell nanostructures, etc.) of HMSNs. Secondly, we include recent progress in constructing heterogeneous, multifunctional, hollow mesoporous silica nanorattles via several methods for diverse applications. These elaborately designed HMSNs could be topologically transformed to prepare hollow mesoporous carbon nanoparticles or functionalized to produce HMSN-based composite nanomaterials. Especially in biomedicine, HMSNs are excellent as carriers to deliver

Investigating the impact of adding an environmental focus to a developmental chemistry class

NASA Astrophysics Data System (ADS)

Robelia, Beth A.

Making chemistry more relevant to students has been a goal of many curriculum projects. None of these projects have investigated how specific applications of chemistry impact student learning or environmental mindset. The goal of this study was to examine how focusing attention on environmental issues as applications of chemistry concepts would affect students' understanding of general chemistry or environmental chemistry as well environmental attitudes, behaviors and knowledge. Special attention was paid to how women responded to the addition of an environmental focus because prior research indicated women hold more pro-environmental attitudes but are less knowledgeable about environmental topics. The quasi-experimental design used two treatment groups and a comparison group. Both treatment groups received instruction with a Science-Technology-Society orientation, one group focused on environmental applications of chemistry while the other drew applications of chemistry from a number of different fields students might be familiar with such as health care, food science and forensics. The comparison groups used mainly traditional examples from chemistry laboratories. In order to avoid testing the effect of the instructor, two people co-taught both treatment sections. Students in all three groups took a general chemistry assessment at the beginning and end of the course. The treatment groups took a pre and post environmental chemistry assessment and a survey of their environmental attitudes, behaviors and knowledge. Results indicate that students in the environmentally focused section may have made slight gains in general chemistry knowledge. Gains in environmental chemistry knowledge were not significantly different. Students also made modest gains in environmental attitude. Results for women mirrored results for the classes as a whole.

The Development of a Nonequilibrium Radiative Heat Transfer Computational Model for High Altitude Entry Vehicle Flowfield Methods

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1995-01-01

This final report will attempt to concisely summarize the activities and accomplishments associated with NASA Grant and to include pertinent documents in an appendix. The project initially had one primary and several secondary objectives. The original primary objective was to couple into the NASA Johnson Space Center (JSC) nonequilibrium chemistry Euler equation entry vehicle flowfield code, INEQ3D, the Texas A&M University (TAMU) local thermodynamic nonequilibrium (LTNE) radiation model. This model had previously been developed and verified under NASA Langley and NASA Johnson sponsorship as part of a viscous shock layer entry vehicle flowfield code. The secondary objectives were: (1) to investigate the necessity of including the radiative flux term in the vibrational-electron-electronic (VEE) energy equation as well as in the global energy equation, (2) to determine the importance of including the small net change in electronic energy between products and reactants which occurs during a chemical reaction, and (3) to study the effect of atom-atom impact ionization reactions on entry vehicle nonequilibrium flowfield chemistry and radiation. For each, of these objectives, it was assumed that the code would be applicable to lunar return entry conditions, i.e. altitude above 75 km, velocity greater, than 11 km/sec, where nonequilibrium chemistry and radiative heating phenomena would be significant. In addition, it was tacitly assumed that as part of the project the code would be applied to a variety of flight conditions and geometries.

Click Chemistry, a Powerful Tool for Pharmaceutical Sciences

PubMed Central

Hein, Christopher D.; Liu, Xin-Ming; Wang, Dong

2008-01-01

Click chemistry refers to a group of reactions that are fast, simple to use, easy to purify, versatile, regiospecific, and give high product yields. While there are a number of reactions that fulfill the criteria, the Huisgen 1,3-dipolar cycloaddition of azides and terminal alkynes has emerged as the frontrunner. It has found applications in a wide variety of research areas, including materials sciences, polymer chemistry, and pharmaceutical sciences. In this manuscript, important aspects of the Huisgen cycloaddition will be reviewed, along with some of its many pharmaceutical applications. Bioconjugation, nanoparticle surface modification, and pharmaceutical-related polymer chemistry will all be covered. Limitations of the reaction will also be discussed. PMID:18509602

Biological effects and medical applications of infrared radiation

PubMed Central

Tsai, Shang-Ru; Hamblin, Michael R

2017-01-01

Infrared (IR) radiation is electromagnetic radiation with wavelengths between 760 nm and 100,000 nm. Low-level light therapy (LLLT) or photobiomodulation (PBM) therapy generally employs light at red and near-infrared wavelengths (600–100 nm) to modulate biological activity. Many factors, conditions, and parameters influence the therapeutic effects of IR, including fluence, irradiance, treatment timing and repetition, pulsing, and wavelength. Increasing evidence suggests that IR can carry out photostimulation and photobiomodulation effects particularly benefiting neural stimulation, wound healing, and cancer treatment. Nerve cells respond particularly well to IR, which has been proposed for a range of neurostimulation and neuromodulation applications, and recent progress in neural stimulation and regeneration are discussed in this review. The applications of IR therapy have moved on rapidly in recent years. For example, IR therapy has been developed that does not actually require an external power source, such as IR-emitting materials, and garments that can be powered by body heat alone. Another area of interest is the possible involvement of solar IR radiation in photoaging or photorejuvenation as opposites sides of the coin, and whether sunscreens should protect against solar IR? A better understanding of new developments and biological implications of IR could help us to improve therapeutic effectiveness or develop new methods of PBM using IR wavelengths. PMID:28441605

Biological effects and medical applications of infrared radiation.

PubMed

Tsai, Shang-Ru; Hamblin, Michael R

2017-05-01

Infrared (IR) radiation is electromagnetic radiation with wavelengths between 760nm and 100,000nm. Low-level light therapy (LLLT) or photobiomodulation (PBM) therapy generally employs light at red and near-infrared wavelengths (600-100nm) to modulate biological activity. Many factors, conditions, and parameters influence the therapeutic effects of IR, including fluence, irradiance, treatment timing and repetition, pulsing, and wavelength. Increasing evidence suggests that IR can carry out photostimulation and photobiomodulation effects particularly benefiting neural stimulation, wound healing, and cancer treatment. Nerve cells respond particularly well to IR, which has been proposed for a range of neurostimulation and neuromodulation applications, and recent progress in neural stimulation and regeneration are discussed in this review. The applications of IR therapy have moved on rapidly in recent years. For example, IR therapy has been developed that does not actually require an external power source, such as IR-emitting materials, and garments that can be powered by body heat alone. Another area of interest is the possible involvement of solar IR radiation in photoaging or photorejuvenation as opposites sides of the coin, and whether sunscreens should protect against solar IR? A better understanding of new developments and biological implications of IR could help us to improve therapeutic effectiveness or develop new methods of PBM using IR wavelengths. Copyright © 2016. Published by Elsevier B.V.

Dynamic combinatorial libraries: new opportunities in systems chemistry.

PubMed

Hunt, Rosemary A R; Otto, Sijbren

2011-01-21

Combinatorial chemistry is a tool for selecting molecules with special properties. Dynamic combinatorial chemistry started off aiming to be just that. However, unlike ordinary combinatorial chemistry, the interconnectedness of dynamic libraries gives them an extra dimension. An understanding of these molecular networks at systems level is essential for their use as a selection tool and creates exciting new opportunities in systems chemistry. In this feature article we discuss selected examples and considerations related to the advanced exploitation of dynamic combinatorial libraries for their originally conceived purpose of identifying strong binding interactions. Also reviewed are examples illustrating a trend towards increasing complexity in terms of network behaviour and reversible chemistry. Finally, new applications of dynamic combinatorial chemistry in self-assembly, transport and self-replication are discussed.

Radiological protection, safety and security issues in the industrial and medical applications of radiation sources

NASA Astrophysics Data System (ADS)

Vaz, Pedro

2015-11-01

The use of radiation sources, namely radioactive sealed or unsealed sources and particle accelerators and beams is ubiquitous in the industrial and medical applications of ionizing radiation. Besides radiological protection of the workers, members of the public and patients in routine situations, the use of radiation sources involves several aspects associated to the mitigation of radiological or nuclear accidents and associated emergency situations. On the other hand, during the last decade security issues became burning issues due to the potential malevolent uses of radioactive sources for the perpetration of terrorist acts using RDD (Radiological Dispersal Devices), RED (Radiation Exposure Devices) or IND (Improvised Nuclear Devices). A stringent set of international legally and non-legally binding instruments, regulations, conventions and treaties regulate nowadays the use of radioactive sources. In this paper, a review of the radiological protection issues associated to the use of radiation sources in the industrial and medical applications of ionizing radiation is performed. The associated radiation safety issues and the prevention and mitigation of incidents and accidents are discussed. A comprehensive discussion of the security issues associated to the global use of radiation sources for the aforementioned applications and the inherent radiation detection requirements will be presented. Scientific, technical, legal, ethical, socio-economic issues are put forward and discussed.

Chemistry teachers’ understanding of science process skills in relation of science process skills assessment in chemistry learning

NASA Astrophysics Data System (ADS)

Hikmah, N.; Yamtinah, S.; Ashadi; Indriyanti, N. Y.

2018-05-01

A Science process skill (SPS) is a fundamental scientific method to achieve good knowledge. SPS can be categorized into two levels: basic and integrated. Learning SPS helps children to grow as individuals who can access knowledge and know how to acquire it. The primary outcomes of the scientific process in learning are the application of scientific processes, scientific reasoning, accurate knowledge, problem-solving, and understanding of the relationship between science, technology, society, and everyday life’s events. Teachers’ understanding of SPS is central to the application of SPS in a learning process. Following this point, this study aims to investigate the high school chemistry teachers’ understanding of SPS pertains to their assessment of SPS in chemistry learning. The understanding of SPS is measured from the conceptual and operational aspects of SPS. This research uses qualitative analysis method, and the sample consists of eight chemistry teachers selected by random sampling. A semi-structured interview procedure is used to collect the data. The result of the analysis shows that teachers’ conceptual and operational understanding of SPS is weak. It affects the accuracy and appropriateness of the teacher’s selection of SPS assessment in chemistry learning.

National Chemistry Teacher Safety Survey

NASA Astrophysics Data System (ADS)

Plohocki, Barbra A.

This study evaluated the status of secondary school instructional chemistry laboratory safety using a survey instrument which focused on Teacher background Information, Laboratory Safety Equipment, Facility Safety, General Safety, and a Safety Content Knowledge Survey. A fifty question survey instrument based on recent research and questions developed by the researcher was mailed to 500 secondary school chemistry teachers who participated in the 1993 one-week Woodrow Wilson National Fellowship Foundation Chemistry Institute conducted at Princeton University, New Jersey. The data received from 303 respondents was analyzed by t tests and Analysis of Variance (ANOVA). The level of significance for the study was set at ~\\ <.05. There was no significant mean difference in test performance on the Safety Content Knowledge Survey and secondary school chemistry teachers who have had undergraduate and/or graduate safety training and those who have not had undergraduate and/or graduate safety training. Secondary school chemistry teachers who attended school district sponsored safety inservices did not score higher on the Safety Content Knowledge Survey than teachers who did not attend school district sponsored safety inservice sessions. The type of school district (urban, suburban, or rural) had no significant correlation to the type of laboratory safety equipment found in the instructional chemistry laboratory. The certification area (chemistry or other type of certificate which may or may not include chemistry) of the secondary school teacher had no significant correlation to the type of laboratory equipment found in the instructional chemistry laboratory. Overall, this study indicated a majority of secondary school chemistry teachers were interested in attending safety workshops applicable to chemistry safety. Throughout this research project, many teachers indicated they were not adequately instructed on the collegiate level in science safety and had to rely on common

Donald J. Cram, Host-Guest Chemistry, Cram's Rule of Asymmetric Induction

Science.gov Websites

across organic chemistry, with applications in both basic research as well as specific fields, such as for life and science have forever changed "teaching in organic chemistry, and altered the shape organic chemistry; his research affects the many ways organic chemistry now appears in our daily lives

Long-term application of winery wastewater - Effect on soil microbial populations and soil chemistry

NASA Astrophysics Data System (ADS)

Mosse, Kim; Patti, Antonio; Smernik, Ron; Cavagnaro, Timothy

2010-05-01

The ability to reuse winery wastewater (WWW) has potential benefits both with respect to treatment of a waste stream, as well as providing a beneficial water resource in water limited regions such as south-eastern Australia, California and South Africa. Over an extended time period, this practice leads to changes in soil chemistry, and potentially, also to soil microbial populations. In this study, we compared the short term effects of WWW (both treated and untreated) application on soil biology and chemistry in two adjacent paired sites with the same soil type, one of which had received WWW for approximately 30 years, and the other which had not. The paired sites were treated with an industrially relevant quantity of WWW, and the soil microbial activity (measured as soil CO2 efflux) and common soil physicochemical properties were monitored over a 16-day period. In addition, Solid State 13C NMR was employed on whole soil samples from the two sites, to measure and compare the chemical nature of the soil organic matter at the paired sites. The acclimatised soil showed a high level of organic matter and a greater spike in microbial activity following WWW addition, in comparison with the non-acclimatised soil, suggesting differences in soil chemistry and soil microbial communities between the two sites. Soil nitrate and phosphorus levels showed significant differences between WWW treatments; these differences likely to be microbially mediated.

School Chemistry: The Need for Transgression

NASA Astrophysics Data System (ADS)

Talanquer, Vicente

2013-07-01

Studies of the philosophy of chemistry over the past 15 years suggest that chemistry is a hybrid science which mixes scientific pursuits with technological applications. Dominant universal characterizations of the nature of science thus fail to capture the essence of the discipline. The central goal of this position paper is to encourage reflection about the extent to which dominant views about quality science education based on universal views of scientific practices may constrain school chemistry. In particular, we discuss how these predominant ideas restrict the development of chemistry curricula and instructional approaches that may better support the learning of the ideas and practices that studies of the philosophy of chemistry suggest are at the core of the discipline. Our analysis suggests that philosophical studies about the nature of chemistry invite us to transgress traditional educational boundaries between science and technology, inquiry and design, content and process, and to reconceptualize school chemistry as a paradigmatic techno scientific subject. To support these changes, chemical education researchers should expand the scope of their investigations to better understand how students and teachers reason about and engage in more authentic ways of chemical thinking and doing.

Assessing application vulnerability to radiation-induced SEUs in memory

NASA Technical Reports Server (NTRS)

Springer, P. L.

2001-01-01

One of the goals of the Remote Exploration and Experimentation (REE) project at JPL is to determine how vulnerable applications are to single event upsets (SEUs) when run in low radiation space environments using commercial-off-the-shelf (COTS) components.

Polymer recycling: potential application of radiation technology

NASA Astrophysics Data System (ADS)

Burillo, Guillermina; Clough, Roger L.; Czvikovszky, Tibor; Guven, Olgun; Le Moel, Alain; Liu, Weiwei; Singh, Ajit; Yang, Jingtian; Zaharescu, Traian

2002-04-01

Management of solid waste is an important problem, which is becoming progressively worse as a byproduct of continuing economic growth and development. Polymeric materials (plastics and rubbers) comprise a steadily increasing proportion of the municipal and industrial waste going into landfill. Development of technologies for reducing polymeric waste, which are acceptable from the environmental standpoint, and which are cost-effective, has proven to be a difficult challenge due to complexities inherent in the reuse of polymers. Establishing optimal processes for the reuse/recycling of polymeric materials thus remains a worldwide challenge as we enter the new century. Due to the ability of ionizing radiation to alter the structure and properties of bulk polymeric materials, and the fact that it is applicable to essentially all polymer types, irradiation holds promise for impacting the polymer waste problem. The three main possibilities for use of radiation in this application are: (1) enhancing the mechanical properties and performance of recovered materials or material blends, principally through crosslinking, or through surface modification of different phases being combined; (2) treatment causing or enhancing the decomposition of polymers, particularly through chain scission, leading to recovery of either low molecular weight mixtures, or powders, for use as chemical feedstocks or additives; (3) production of advanced polymeric materials designed for environmental compatibility. This paper provides an overview of the polymer recycling problem, describes the major technological obstacles to the implementation of recycling technologies, and outlines some of the approaches being taken. A review of radiation-based recycling research is then provided, followed by a discussion of future directions where irradiation may be relevant to the problems currently inhibiting the widespread recycling of polymeric materials.

The Chemistry of a Mini

ERIC Educational Resources Information Center

Jones, C. E.

1972-01-01

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)

A Component Approach to Collaborative Scientific Software Development: Tools and Techniques Utilized by the Quantum Chemistry Science Application Partnership

DOE PAGES

Kenny, Joseph P.; Janssen, Curtis L.; Gordon, Mark S.; ...

2008-01-01

Cutting-edge scientific computing software is complex, increasingly involving the coupling of multiple packages to combine advanced algorithms or simulations at multiple physical scales. Component-based software engineering (CBSE) has been advanced as a technique for managing this complexity, and complex component applications have been created in the quantum chemistry domain, as well as several other simulation areas, using the component model advocated by the Common Component Architecture (CCA) Forum. While programming models do indeed enable sound software engineering practices, the selection of programming model is just one building block in a comprehensive approach to large-scale collaborative development which must also addressmore » interface and data standardization, and language and package interoperability. We provide an overview of the development approach utilized within the Quantum Chemistry Science Application Partnership, identifying design challenges, describing the techniques which we have adopted to address these challenges and highlighting the advantages which the CCA approach offers for collaborative development.« less

Quantum Chemistry in Great Britain: Developing a Mathematical Framework for Quantum Chemistry

NASA Astrophysics Data System (ADS)

Simões, Ana; Gavroglu, Kostas

By 1935 quantum chemistry was already delineated as a distinct sub-discipline due to the contributions of Fritz London, Walter Heitler, Friedrich Hund, Erich Hückel, Robert Mulliken, Linus Pauling, John van Vleck and John Slater. These people are credited with showing that the application of quantum mechanics to the solution of chemical problems was, indeed, possible, especially so after the introduction of a number of new concepts and the adoption of certain approximation methods. And though a number of chemists had started talking of the formation of theoretical or, even, mathematical chemistry, a fully developed mathematical framework of quantum chemistry was still wanting. The work of three persons in particular-of John E. Lennard-Jones, Douglas R. Hartree, and Charles Alfred Coulson-has been absolutely crucial in the development of such a framework. In this paper we shall discuss the work of these three researchers who started their careers in the Cambridge tradition of mathematical physics and who at some point of their careers all became professors of applied mathematics. We shall argue that their work consisted of decisive contributions to the development of such a mathematical framework for quantum chemistry.

Some current advances in biophysical applications of ionizing radiation for health preservation

NASA Astrophysics Data System (ADS)

Watt, D. E.

1987-03-01

Radiation Physics is a subject of major importance in application to health preservation through investigative, diagnostic, analytical and therapeutic procedures for clinical purposes. Its benefits are enormous and well-established. However there are also hazards and so it is important for health preservation purposes to establish quantitatively the degree of risk undergone by persons exposed to radiation in the natural environment, in their occupations and in medical treatment. In this paper a brief indication is given of the extensive utilisation of the unique properties of radiation in biomedical application. This is followed by fuller discussion on new developments in our understanding of radiation damage mechanisms in radiotherapy and radiological protection. An example is given in biomedical research into the role of trace elements in gallstone formation using neutron activation anaysis, proton induced X-ray emission and X-ray fluorescence analysis as complementary techniques for maximising sensitivity in multielemental analysis by induced radiation. Procedures are described for measuring radiation effect, at bone/ tissue and lung/air interfaces, due to the uptake of radioactive material from the natural environment. Finally a topical subject in nuclear medicine viz. the possible advantages and hazards of Auger electron cascades resulting from inner shell vacancies in electron capture nuclides, is examined in the light of new evidence.

Magnetic resonance imaging of chemistry.

PubMed

Britton, Melanie M

2010-11-01

Magnetic resonance imaging (MRI) has long been recognized as one of the most important tools in medical diagnosis and research. However, MRI is also well placed to image chemical reactions and processes, determine the concentration of chemical species, and look at how chemistry couples with environmental factors, such as flow and heterogeneous media. This tutorial review will explain how magnetic resonance imaging works, reviewing its application in chemistry and its ability to directly visualise chemical processes. It will give information on what resolution and contrast are possible, and what chemical and physical parameters can be measured. It will provide examples of the use of MRI to study chemical systems, its application in chemical engineering and the identification of contrast agents for non-clinical applications. A number of studies are presented including investigation of chemical conversion and selectivity in fixed-bed reactors, temperature probes for catalyst pellets, ion mobility during tablet dissolution, solvent dynamics and ion transport in Nafion polymers and the formation of chemical waves and patterns.

Covalent layer-by-layer films: chemistry, design, and multidisciplinary applications.

PubMed

An, Qi; Huang, Tao; Shi, Feng

2018-05-16

Covalent layer-by-layer (LbL) assembly is a powerful method used to construct functional ultrathin films that enables nanoscopic structural precision, componential diversity, and flexible design. Compared with conventional LbL films built using multiple noncovalent interactions, LbL films prepared using covalent crosslinking offer the following distinctive characteristics: (i) enhanced film endurance or rigidity; (ii) improved componential diversity when uncharged species or small molecules are stably built into the films by forming covalent bonds; and (iii) increased structural diversity when covalent crosslinking is employed in componential, spacial, or temporal (labile bonds) selective manners. In this review, we document the chemical methods used to build covalent LbL films as well as the film properties and applications achievable using various film design strategies. We expect to translate the achievement in the discipline of chemistry (film-building methods) into readily available techniques for materials engineers and thus provide diverse functional material design protocols to address the energy, biomedical, and environmental challenges faced by the entire scientific community.

Modern Mathematical Topics in Chemistry.

ERIC Educational Resources Information Center

Henson, R. C.; Stumbles, A. M.

1979-01-01

Discusses how modern mathematical language can be used to develop chemical ideas in class. Examples for the application of Venn Diagrams and Flow Diagrams in teaching chemistry in the Nuffield courses are presented. (HM)

Stream Chemistry After An Operational Fertilizer Application in the Ouachita Mountains

Treesearch

Hal O. Liechty; Jami Nettles; Daniel A. Marion; Donald J. Turton

1999-01-01

The amount of forested land annually fertilized in the southern United States has increased rapidly in the past 10 years. Although forest growth responses to fertilizer are fairly well understood, knowledge concerning the effects of fertilization on stream chemistry and health in this region is limited. To better understand the potential changes in stream chemistry...

Contribution from philosophy of chemistry to chemistry education: In a case of ionic liquids as technochemistry

NASA Astrophysics Data System (ADS)

Mudzakir, Ahmad; Hernani, Widhiyanti, Tuszie; Sudrajat, Devi Pratiwi

2017-08-01

Traditional chemistry education is commonly handing down of concepts, principles, and theories, such as mechanical properties, the relationship between structure and properties as well as chemical structure and chemical bonding theory, to students without engaging them in the processes of chemical inquiry. This practice leads to the lack of opportunity for the students to construct an appropriate understanding of these concepts, principles, and theories. Students are also rarely facilitated in modeling the structure and function of matter themselves. This situation shows that the philosophy of chemistry has not received as much attention from chemistry educators. The main idea of this paper is to embed philosophy of chemistry through the implementation of technochemistry in chemistry education. One of the most interesting and rapidly developing areas of modern chemistry, technologies and engineering is Ionic Liquids (ILs) as an emerging knowledge on technochemistry which can be applied to chemistry education. The developments between academic researchers and industrial developments in the ILs area are conducted in parallel. In order to overcome the existing problems of scientific development in chemistry education, the science and technology of ILs can be used for reconceptualizing the teaching and learning of chemistry to embrace the epistemology in chemistry. This study promises a potential contribution by philosophy of chemistry. The main objectives of this study are to develop: (i) a perspective based on philosophy of science considerations (rational reconstruction) in order to understand ionic liquids and (ii) teaching materials that can be used to enhance pre-service teacher's view of nature of science and technology (VNOST). The method used in the study is analytical-descriptive (elementarization), i.e. the first step in the model of educational reconstruction (MER). This study concludes that the development of the concepts and their applications of ionic

From supramolecular chemistry towards constitutional dynamic chemistry and adaptive chemistry.

PubMed

Lehn, Jean-Marie

2007-02-01

Supramolecular chemistry has developed over the last forty years as chemistry beyond the molecule. Starting with the investigation of the basis of molecular recognition, it has explored the implementation of molecular information in the programming of chemical systems towards self-organisation processes, that may occur either on the basis of design or with selection of their components. Supramolecular entities are by nature constitutionally dynamic by virtue of the lability of non-covalent interactions. Importing such features into molecular chemistry, through the introduction of reversible bonds into molecules, leads to the emergence of a constitutional dynamic chemistry, covering both the molecular and supramolecular levels. It considers chemical objects and systems capable of responding to external solicitations by modification of their constitution through component exchange or reorganisation. It thus opens the way towards an adaptive and evolutive chemistry, a further step towards the chemistry of complex matter.

Radiation Sensors for Medical, Industrial and Environmental Applications: How to Engage with Schools and the General Public

ERIC Educational Resources Information Center

Seitz, B.; Rivera, N. Campos; Gray, R.; Power, A.; Thomson, F.

2018-01-01

Radiation, radiation detection and radiation protection are topics in physics and its applications which generate a wide interest in the public. This interest is either generated through medical procedures, applications of nuclear energy or nuclear accidents. The technical nature of these topics usually means that they are not well covered in the…

A computer program for calculation of approximate embryo/fetus radiation dose in nuclear medicine applications.

PubMed

Bayram, Tuncay; Sönmez, Bircan

2012-04-01

In this study, we aimed to make a computer program that calculates approximate radiation dose received by embryo/fetus in nuclear medicine applications. Radiation dose values per MBq-1 received by embryo/fetus in nuclear medicine applications were gathered from literature for various stages of pregnancy. These values were embedded in the computer code, which was written in Fortran 90 program language. The computer program called nmfdose covers almost all radiopharmaceuticals used in nuclear medicine applications. Approximate radiation dose received by embryo/fetus can be calculated easily at a few steps using this computer program. Although there are some constraints on using the program for some special cases, nmfdose is useful and it provides practical solution for calculation of approximate dose to embryo/fetus in nuclear medicine applications. None declared.

Radiation sensors for medical, industrial and environmental applications: how to engage with schools and the general public

NASA Astrophysics Data System (ADS)

Seitz, B.; Campos Rivera, N.; Gray, R.; Powell, A.; Thomson, F.

2018-01-01

Radiation, radiation detection and radiation protection are topics in physics and its applications which generate a wide interest in the public. This interest is either generated through medical procedures, applications of nuclear energy or nuclear accidents. The technical nature of these topics usually means that they are not well covered in the normal education stream, opening many opportunities to engage with schools and the general public to showcase the latest developments and their applications. The detection of radiation is at the very heart of understanding radiation, its fascination and associated fears. The outreach group of the nuclear physics group at the University of Glasgow demonstrates a number of successful outreach activities centred around radiation detection and described in this paper, focusing on activities delivered to a variety of audiences and related to applied nuclear physics work within our group. These concentrate on the application of novel sensor technologies for nuclear decommissioning, medical imaging modalities and the monitoring of environmental radioactivity. The paper will provide some necessary background material as well as practical instructions for some of the activities developed.

General Dialdehyde Click Chemistry for Amine Bioconjugation.

PubMed

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

2017-05-17

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

Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry.

PubMed

Lehn, Jean-Marie

2012-01-01

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.

A four-dimensional variational chemistry data assimilation scheme for Eulerian chemistry transport modeling

NASA Astrophysics Data System (ADS)

Eibern, Hendrik; Schmidt, Hauke

1999-08-01

The inverse problem of data assimilation of tropospheric trace gas observations into an Eulerian chemistry transport model has been solved by the four-dimensional variational technique including chemical reactions, transport, and diffusion. The University of Cologne European Air Pollution Dispersion Chemistry Transport Model 2 with the Regional Acid Deposition Model 2 gas phase mechanism is taken as the basis for developing a full four-dimensional variational data assimilation package, on the basis of the adjoint model version, which includes the adjoint operators of horizontal and vertical advection, implicit vertical diffusion, and the adjoint gas phase mechanism. To assess the potential and limitations of the technique without degrading the impact of nonperfect meteorological analyses and statistically not established error covariance estimates, artificial meteorological data and observations are used. The results are presented on the basis of a suite of experiments, where reduced records of artificial "observations" are provided to the assimilation procedure, while other "data" is retained for performance control of the analysis. The paper demonstrates that the four-dimensional variational technique is applicable for a comprehensive chemistry transport model in terms of computational and storage requirements on advanced parallel platforms. It is further shown that observed species can generally be analyzed, even if the "measurements" have unbiased random errors. More challenging experiments are presented, aiming to tax the skill of the method (1) by restricting available observations mostly to surface ozone observations for a limited assimilation interval of 6 hours and (2) by starting with poorly chosen first guess values. In this first such application to a three-dimensional chemistry transport model, success was also achieved in analyzing not only observed but also chemically closely related unobserved constituents.

Acetonitrile cluster solvation in a cryogenic ethane-methane-propane liquid: Implications for Titan lake chemistry.

PubMed

Corrales, L René; Yi, Thomas D; Trumbo, Samantha K; Shalloway, David; Lunine, Jonathan I; Usher, David A

2017-03-14

The atmosphere of Titan, Saturn's largest moon, exhibits interesting UV- and radiation-driven chemistry between nitrogen and methane, resulting in dipolar, nitrile-containing molecules. The assembly and subsequent solvation of such molecules in the alkane lakes and seas found on the moon's surface are of particular interest for investigating the possibility of prebiotic chemistry in Titan's hydrophobic seas. Here we characterize the solvation of acetonitrile, a product of Titan's atmospheric radiation chemistry tentatively detected on Titan's surface [H. B. Niemann et al., Nature 438, 779-784 (2005)], in an alkane mixture estimated to match a postulated composition of the smaller lakes during cycles of active drying and rewetting. Molecular dynamics simulations are employed to determine the potential of mean force of acetonitrile (CH 3 CN) clusters moving from the alkane vapor into the bulk liquid. We find that the clusters prefer the alkane liquid to the vapor and do not dissociate in the bulk liquid. This opens up the possibility that acetonitrile-based microscopic polar chemistry may be possible in the otherwise nonpolar Titan lakes.

Application of magnetohydrodynamic actuation to continuous flow chemistry.

PubMed

West, Jonathan; Karamata, Boris; Lillis, Brian; Gleeson, James P; Alderman, John; Collins, John K; Lane, William; Mathewson, Alan; Berney, Helen

2002-11-01

Continuous flow microreactors with an annular microchannel for cyclical chemical reactions were fabricated by either bulk micromachining in silicon or by rapid prototyping using EPON SU-8. Fluid propulsion in these unusual microchannels was achieved using AC magnetohydrodynamic (MHD) actuation. This integrated micropumping mechanism obviates the use of moving parts by acting locally on the electrolyte, exploiting its inherent conductive nature. Both silicon and SU-8 microreactors were capable of MHD actuation, attaining fluid velocities of the order of 300 microm s(-1) when using a 500 mM KCl electrolyte. The polymerase chain reaction (PCR), a thermocycling process, was chosen as an illustrative example of a cyclical chemistry. Accordingly, temperature zones were provided to enable a thermal cycle during each revolution. With this approach, fluid velocity determines cycle duration. Here, we report device fabrication and performance, a model to accurately describe fluid circulation by MHD actuation, and compatibility issues relating to this approach to chemistry.

Modules for Introducing Organometallic Reactions: A Bridge between Organic and Inorganic Chemistry

ERIC Educational Resources Information Center

Schaller, Chris P.; Graham, Kate J.; Johnson, Brian J.

2015-01-01

Transition metal organometallic reactions have become increasingly important in the synthesis of organic molecules. A new approach has been developed to introduce organometallic chemistry, along with organic and inorganic chemistry, at the foundational level. This change highlights applications of organometallic chemistry that have dramatically…

Aerosol in the Upper Troposphere Lower Stratosphere, decadal Simulations of Radiative Forcing using the Chemistry Circulation Model EMAC and MIPAS, GOMOS, IASI and other Satellite Data

NASA Astrophysics Data System (ADS)

Bruehl, C.; Schallock, J.; Lelieveld, J.; Bingen, C.; Robert, C. E.; Hoepfner, M.; Clarisse, L.

2017-12-01

The atmospheric chemistry - general circulation model EMAC with a modal interactive aerosol module is used to estimate radiative effects of UTLS aerosol for the ENVISAT period 2002 to 2012 in the framework of SPARC/SSIRC. Volcanic SO2 injections by about 230 explosive volcano eruptions are estimated mostly from MIPAS limb observations. For periods of data gaps, injected SO2 is estimated indirectly from extinctions observed by GOMOS. GOMOS extinctions in the UTLS and the seasonal component of radiative forcing can be only reproduced by the model if a comprehensive treatment of desert dust and organic and black carbon is included. Upward transport of particles and gases by the Asian Monsoon appears to contribute importantly. The time series of simulated stratospheric aerosol optical depth and radiative forcing agree with the corresponding quantities derived from different satellite data sets. Comparisons of total aerosol optical depth with IASI show that tropospheric and stratospheric aerosol in the model are consistently and realistically represented.

Planetary Sources for Reducing Sulfur Compounds for Cyanosulfidic Origins of Life Chemistry

NASA Astrophysics Data System (ADS)

Ranjan, S.; Todd, Z. R.; Sutherland, J.; Sasselov, D. D.

2017-12-01

A key challenge in origin-of-life studies is understanding the chemistry that lead to the origin of the key biomolecules of life, such as the components of nucleic acids, sugars, lipids, and proteins. Prebiotic reaction networks based upon reductive homologation of nitriles (e.g., Patel et al. 2015), are building a tantalizing picture of sustained abiotic synthesis of activated ribonucleotides, amino acids and lipid precursors under environmental conditions thought to have been available on early Earth. Sulfidic anions in aqueous solution (e.g., HS-, HSO3-) under near-UV irradiation play important roles in these chemical pathways. However, the sources and availability of these anions on early Earth have not yet been quantitatively constrained. Here, we evaluate the potential for the atmosphere to serve as a source of sulfidic anions, via dissolution of volcanically-outgassed SO2 and H2S into water reservoirs. We combine photochemical modeling from the literature (Hu et al. 2013) with equilibrium chemistry calculations to place constraints on the partial pressures of SO2 and H2S required to reach the elevated concentrations of sulfidic anions (≥1 μM) thought to be necessary for prebiotic chemistry. We find that micromolar levels of SO2-derived anions (HSO3-, SO3(2-)) are possible through simple exposure of aqueous reservoirs like shallow lakes to the atmosphere, assuming total sulfur emission flux comparable to today. Millimolar levels of these compounds are available during the epochs of elevated volcanism, due to elevated sulfur emission flux. Radiative transfer modeling suggests the atmospheric sulfur will not block the near-UV radiation also required for the cyanosulfidic chemistry. However, H2S-derived anions (e.g., HS-) reach only sub-micromolar levels from atmospheric sources, meaning that prebiotic chemistry invoking such molecules must invoke specialized, local sources. Prebiotic chemistry invoking SO2-derived anions may be considered more robust than

Simulating Chemistry in Star Forming Environments

NASA Astrophysics Data System (ADS)

Gong, Munan

Chemistry plays an important role in the interstellar medium (ISM), regulating the heating and cooling of the gas and determining abundances of molecular species that trace gas properties in observations. One of the most abundant and important molecules in the ISM is CO. CO is a main coolant for the molecular ISM, and the CO(J = 1 - 0) line emission is a widely used observational tracer for molecular clouds. In Chapter 2, we propose a new simplified chemical network for hydrogen and carbon chemistry in the atomic and molecular ISM. We compare results from our chemical network in detail with results from a full photodissociation region (PDR) code, and also with the Nelson & Langer (NL99) network previously adopted in the simulation literature. We show that our chemical network gives similar results to the PDR code in the equilibrium abundances of all species over a wide range of densities, temperature, and metallicities, whereas the NL99 network shows significant disagreement. We also compare with observations of diffuse and translucent clouds. We find that the CO, CHx and OHx abundances are consistent with equilibrium predictions for densities n = 100 - 1000 cm-3, but the predicted equilibrium CI abundance is higher than observations, signaling the potential importance of non-equilibrium/dynamical effects. In Chapter 3, we apply our new chemistry network to a study of the XCO conversion factor, which is used to convert the CO luminosity to the total H2 mass. We use numerical simulations to investigate how XCO depends on numerical resolution, non-equilibrium chemistry, physical environment, and observational beam size. Our study employs 3D magnetohydrodynamics (MHD) simulations of galactic disks with solar neighborhood conditions, where star formation and the three-phase interstellar medium (ISM) is self-consistently generated by the interaction between gravity and stellar feedback. Synthetic CO maps are obtained by post-processing the MHD simulations with chemistry

Investigation of graphene-based nanoscale radiation sensitive materials

NASA Astrophysics Data System (ADS)

Robinson, Joshua A.; Wetherington, Maxwell; Hughes, Zachary; LaBella, Michael, III; Bresnehan, Michael

2012-06-01

Current state-of-the-art nanotechnology offers multiple benefits for radiation sensing applications. These include the ability to incorporate nano-sized radiation indicators into widely used materials such as paint, corrosion-resistant coatings, and ceramics to create nano-composite materials that can be widely used in everyday life. Additionally, nanotechnology may lead to the development of ultra-low power, flexible detection systems that can be embedded in clothing or other systems. Graphene, a single layer of graphite, exhibits exceptional electronic and structural properties, and is being investigated for high-frequency devices and sensors. Previous work indicates that graphene-oxide (GO) - a derivative of graphene - exhibits luminescent properties that can be tailored based on chemistry; however, exploration of graphene-oxide's ability to provide a sufficient change in luminescent properties when exposed to gamma or neutron radiation has not been carried out. We investigate the mechanisms of radiation-induced chemical modifications and radiation damage induced shifts in luminescence in graphene-oxide materials to provide a fundamental foundation for further development of radiation sensitive detection architectures. Additionally, we investigate the integration of hexagonal boron nitride (hBN) with graphene-based devices to evaluate radiation induced conductivity in nanoscale devices. Importantly, we demonstrate the sensitivity of graphene transport properties to the presence of alpha particles, and discuss the successful integration of hBN with large area graphene electrodes as a means to provide the foundation for large-area nanoscale radiation sensors.

PREFACE: International Congress on Energy Fluxes and Radiation Effects (EFRE-2014)

NASA Astrophysics Data System (ADS)

2014-11-01

The International Congress on Energy Fluxes and Radiation Effects 2014 (EFRE 2014) was held in Tomsk, Russia, on September 21-26, 2014. The organizers of the Congress were the Institute of High Current Electronics SB RAS and Tomsk Polytechnic University. EFRE 2014 combines three international conferences which are regularly held in Tomsk, Russia: the 18th International Symposium on High-Current Electronics (18th SHCE), the 12th International Conference on Modification of Materials with Particle Beams and Plasma Flows (12th CMM) and the 16th International Conference on Radiation Physics and Chemistry of Condensed Matter (16th RPC). The International Conference on Radiation Physics and Chemistry of Condensed Matter is a traditional representative forum devoted to the discussion of the fundamental problems of physical and chemical non-linear processes in condensed matter (mainly inorganic dielectrics) under the action of particle and photon beams of all types including pulsed power laser radiation. The International Symposium on High-Current Electronics is held biannually in Tomsk, Russia. The program of the conferences covers a wide range of scientific and technical areas including pulsed power technology, ion and electron beams, high-power microwaves, plasma and particle beam sources, modification of materials, and pulsed power applications in chemistry, biology and medicine. The 12th International Conference on Modification of Materials with Particle Beams and Plasma Flows is devoted to the discussion of the fundamental and applied issues in the field of modification of materials properties with particle beams and plasma flows. The six-day Congress brought together more than 250 specialists and scientists from different countries and organizations and provided an excellent opportunity to exchange knowledge, make oral contributions and poster presentations, and initiate discussion on the topics of interest. The proceedings were edited by Victor Lisitsyn, Vladimir

Converting STEM Doctoral Dissertations into Patent Applications: A Study of Chemistry, Physics, Mathematics, and Chemical Engineering Dissertations from CIC Institutions

ERIC Educational Resources Information Center

Butkovich, Nancy J.

2015-01-01

Doctoral candidates may request short-term embargoes on the release of their dissertations in order to apply for patents. This study examines how often inventions described in dissertations in chemical engineering, chemistry, physics, and mathematics are converted into U.S. patent applications, as well as the relationship between dissertation…

Integrating Chemistry: Crossing the Millennium Divide.

PubMed

Housecroft, Catherine E

2018-02-01

A personal account of the development of two University level chemistry books is presented. The account focuses on ways to integrate the traditional branches of chemistry into a textbook that captures the imagination of students and relates chemical principles and fundamental topics to environmental, medicinal, biological and industrial applications. The ways in which teaching methods have changed over two decades and how web-based resources can be used to improve the communication of chemical (in particular structural) concepts are highlighted.

Mathematics in chemistry: indeterminate forms and their meaning

NASA Astrophysics Data System (ADS)

Segurado, Manuel A. P.; Silva, Margarida F. B.; Castro, Rita

2011-07-01

The mathematical language and its tools are complementary to the formalism in chemistry, in particular at an advanced level. It is thus crucial, for its understanding, that students acquire a solid knowledge in Calculus and that they know how to apply it. The frequent occurrence of indeterminate forms in multiple areas, particularly in Physical Chemistry, justifies the need to properly understand the limiting process in such cases. This article emphasizes the importance of the L'Hôpital's rule as a practical tool, although often neglected, to obtain the more common indeterminate limits, through the use of some specific examples as the radioactive decay, spectrophotometric error, Planck's radiation law, second-order kinetics, or consecutive reactions.

Quantification of air plasma chemistry for surface disinfection

NASA Astrophysics Data System (ADS)

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

2014-12-01

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.

The Application of Chemistry to Conserve Cultural Heritage

ERIC Educational Resources Information Center

MacLeod, Ian D.

2015-01-01

During the past 50 years the amount of chemistry applied to the preservation of all sorts of materials, from wood, to ceramics, glass and metallic objects has increased dramatically as materials conservation laboratories became established around the world. In Australia, the finding of a series of historic shipwrecks of ships from the Dutch…

Applications of synchrotron radiation to materials science: Diffraction imaging (topography) and microradiography

NASA Technical Reports Server (NTRS)

Kuriyama, Masao

1988-01-01

Synchrotron radiation sources are now available throughout the world. The use of hard X-ray radiation from these sources for materials science is described with emphasis on diffraction imaging for material characterization. With the availability of synchrotron radiation, real-time in situ measurements of dynamic microstructural phenomena have been started. This is a new area where traditional application of X-rays has been superseded. Examples are chosen from limited areas and are by no means exhaustive. The new emerging information will, no doubt, have great impact on materials science and engineering.

Hybrid method for numerical modelling of LWR coolant chemistry

NASA Astrophysics Data System (ADS)

Swiatla-Wojcik, Dorota

2016-10-01

A comprehensive approach is proposed to model radiation chemistry of the cooling water under exposure to neutron and gamma radiation at 300 °C. It covers diffusion-kinetic processes in radiation tracks and secondary reactions in the bulk coolant. Steady-state concentrations of the radiolytic products have been assessed based on the simulated time dependent concentration profiles. The principal reactions contributing to the formation of H2, O2 and H2O2 were indicated. Simulation was carried out depending on the amount of extra hydrogen dissolved in the coolant to reduce concentration of corrosive agents. High sensitivity to the rate of reaction H+H2O=OH+H2 is shown and discussed.

Effect of Turbulent Fluctuations on Infrared Radiation from a Tactical Missile Plume

DTIC Science & Technology

1982-02-01

Reacting Flows ...... 21 Reacting Flow Calculations ..................................... 21 Turbulence- Chemistry Interaction...a two-equation, turbulence kinetic energy model. The code is capable of handling multi-species, multi-step chemistry . However, it does not calculate...that are expected to be important in turbulence- chemistry and turbulence-radiation interactions. The program calculates only two turbulence guantities

Design and implementation of a prototype data system for earth radiation budget, cloud, aerosol, and chemistry data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baum, B.A.; Barkstrom, B.R.

1993-04-01

The Earth Observing System (EOS) will collect data from a large number of satellite-borne instruments, beginning later in this decade, to make data accessible to the scientific community, NASA will build an EOS Data and Information System (EOSDIS). As an initial effort to accelerate the development of EOSDIS and to gain experience with such an information system, NASA and other agencies are working on a prototype system called Version O (VO). This effort will provide improved access to pre-EOS earth science data throughout the early EOSDIS period. Based on recommendations from the EOSDIS Science Advisory Panel, EOSDIS will have severalmore » distributed active archive centers (DAACs). Each DAAC will specialize in particular data sets. This paper describes work at the NASA Langley Research Center's (LaRC) DAAC. The Version 0 Langley DAAC began archiving and distributing existing data sets pertaining to the earth's radiation budget, clouds, aerosols, and tropospheric chemistry in late 1992. The primary goals of the LaRC VO effort are the following: (1) Enhance scientific use of existing data; (2) Develop institutional expertise in maintaining and distributing data; (3) Use institutional capability for processing data from previous missions such as the Earth Radiation Budget Experiment and the Stratospheric Aerosol and Gas Experiment to prepare for processing future EOS satellite data; (4) Encourage cooperative interagency and international involvement with data sets and research; and (5) Incorporate technological hardware and software advances quickly.« less

Application of whole-body personal TL dosemeters in mixed field beta-gamma radiation.

PubMed

Ciupek, K; Aksamit, D; Wołoszczuk, K

2014-11-01

Application of whole-body personal TL dosemeters based on a high-sensitivity LiF:Mg,Cu,P (MCP-N) in mixed field beta-gamma radiation has been characterised. The measurements were carried out with (90)Sr/(90)Y, (85)Kr and (137)Cs point sources to calculate the energy response and linearity of the TLD response in a dose range of 0.1-30 mSv. From the result, calibration curves were obtained, enabling the readout of individual dose equivalent Hp(10) from gamma radiation and Hp(0.07) from beta radiation in mixed field beta-gamma. Limitation of the methodology and its application are presented and discussed. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

CompTox Chemistry Dashboard webinar

EPA Pesticide Factsheets

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

Green Chemistry with Microwave Energy

EPA Science Inventory

Green chemistry utilizes a set of 12 principles that reduces or eliminates the use or generation of hazardous substances in the design, manufacture, and applications of chemical products (1). This newer chemical approach protects the environment by inventing safer and eco-friendl...

Implementation of Radiation, Ablation, and Free Energy Minimization Modules for Coupled Simulations of Hypersonic Flow

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.; Johnston, Christopher O.; Thompson, Richard A.

2009-01-01

A description of models and boundary conditions required for coupling radiation and ablation physics to a hypersonic flow simulation is provided. Chemical equilibrium routines for varying elemental mass fraction are required in the flow solver to integrate with the equilibrium chemistry assumption employed in the ablation models. The capability also enables an equilibrium catalytic wall boundary condition in the non-ablating case. The paper focuses on numerical implementation issues using FIRE II, Mars return, and Apollo 4 applications to provide context for discussion. Variable relaxation factors applied to the Jacobian elements of partial equilibrium relations required for convergence are defined. Challenges of strong radiation coupling in a shock capturing algorithm are addressed. Results are presented to show how the current suite of models responds to a wide variety of conditions involving coupled radiation and ablation.

Radiation Tests of Single Photon Avalanche Diode for Space Applications

NASA Technical Reports Server (NTRS)

Moscatelli, Francesco; Marisaldi, Martino; MacCagnani, Piera; Labanti, Claudio; Fuschino, Fabio; Prest, Michela; Berra, Alessandro; Bolognini, Davide; Ghioni, Massimo; Rech, Ivan;

Integrated Chemistry and Biology for First-Year College Students

ERIC Educational Resources Information Center

Abdella, Beth R. J.; Walczak, Mary M.; Kandl, Kim A.; Schwinefus, Jeffrey J.

2011-01-01

A three-course sequence for first-year students that integrates beginning concepts in biology and chemistry has been designed. The first two courses that emphasize chemistry and its capacity to inform biological applications are described here. The content of the first course moves from small to large particles with an emphasis on membrane…

Balancing Chemical Reactions With Matrix Methods and Computer Assistance. Applications of Linear Algebra to Chemistry. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Unit 339.

ERIC Educational Resources Information Center

Grimaldi, Ralph P.

This material was developed to provide an application of matrix mathematics in chemistry, and to show the concepts of linear independence and dependence in vector spaces of dimensions greater than three in a concrete setting. The techniques presented are not intended to be considered as replacements for such chemical methods as oxidation-reduction…

Application of Chemistry in Materials Research at NASA GRC

NASA Technical Reports Server (NTRS)

Kavandi, Janet L.

2016-01-01

Overview of NASA GRC Materials Development. New materials enabled by new chemistries offering unique properties and chemical processing techniques. Durability of materials in harsh environments requires understanding and modeling of chemical interaction of materials with the environment.

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

PubMed

Harel, Elad; Schröder, Leif; Xu, Shoujun

2008-01-01

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

Click chemistry in the Development of Contrast Agents for Magnetic Resonance Imaging

PubMed Central

Hapuarachchige, Sudath; Artemov, Dmitri

2016-01-01

Click chemistry provides fast, convenient, versatile and reliable chemical reactions that take place between pairs of functional groups of small molecules that can be purified without chromatographic methods. Due to the fast kinetics and low or no elimination of byproducts, click chemistry is a promising approach that is rapidly gaining acceptance in drug discovery, radiochemistry, bioconjugation, and nanoscience applications. Increasing use of click chemistry in synthetic procedures or as a bioconjugation technique in diagnostic imaging is occurring because click reactions are fast, provide a quantitative yield, and produce minimal amount of nontoxic byproducts. This review summarizes the recent application of click chemistry in magnetic resonance imaging and discusses the directions for applying novel click reactions and strategies for further improving MRI performance. PMID:27748712

ACER Chemistry Test Item Collection. ACER Chemtic Year 12.

ERIC Educational Resources Information Center

Australian Council for Educational Research, Hawthorn.

The chemistry test item banks contains 225 multiple-choice questions suitable for diagnostic and achievement testing; a three-page teacher's guide; answer key with item facilities; an answer sheet; and a 45-item sample achievement test. Although written for the new grade 12 chemistry course in Victoria, Australia, the items are widely applicable.…

Applications of Cherenkov Light Emission for Dosimetry in Radiation Therapy

NASA Astrophysics Data System (ADS)

Glaser, Adam Kenneth

Since its discovery in the 1930's, the Cherenkov effect has been paramount in the development of high-energy physics research. It results in light emission from charged particles traveling faster than the local speed of light in a dielectric medium. The ability of this emitted light to describe a charged particle's trajectory, energy, velocity, and mass has allowed scientists to study subatomic particles, detect neutrinos, and explore the properties of interstellar matter. However, only recently has the phenomenon been considered in the practical context of medical physics and radiation therapy dosimetry, where Cherenkov light is induced by clinical x-ray photon, electron, and proton beams. To investigate the relationship between this phenomenon and dose deposition, a Monte Carlo plug-in was developed within the Geant4 architecture for medically-oriented simulations (GAMOS) to simulate radiation-induced optical emission in biological media. Using this simulation framework, it was determined that Cherenkov light emission may be well suited for radiation dosimetry of clinically used x-ray photon beams. To advance this application, several novel techniques were implemented to realize the maximum potential of the signal, such as time-gating for maximizing the signal to noise ratio (SNR) and Cherenkov-excited fluorescence for generating isotropic light release in water. Proof of concept experiments were conducted in water tanks to demonstrate the feasibility of the proposed method for two-dimensional (2D) projection imaging, three-dimensional (3D) parallel beam tomography, large field of view 3D cone beam tomography, and video-rate dynamic imaging of treatment plans for a number of common radiotherapy applications. The proposed dosimetry method was found to have a number of unique advantages, including but not limited to its non-invasive nature, water-equivalence, speed, high-resolution, ability to provide full 3D data, and potential to yield data in-vivo. Based on

A Chemistry Course for High Ability 8th, 9th, and 10th Graders.

ERIC Educational Resources Information Center

Kilker, Richard, Jr.

1985-01-01

Describes a chemistry course designed, in cooperation with local public school districts, to intellectually challenge a group of 8th, 9th, and 10th grade students. Organic chemistry and biochemistry are integrated into the course (titled Chemistry and Everyday Life) to emphasize practical applications of chemistry. The course syllabus is included.…

A transported probability density function/photon Monte Carlo method for high-temperature oxy-natural gas combustion with spectral gas and wall radiation

NASA Astrophysics Data System (ADS)

Zhao, X. Y.; Haworth, D. C.; Ren, T.; Modest, M. F.

2013-04-01

A computational fluid dynamics model for high-temperature oxy-natural gas combustion is developed and exercised. The model features detailed gas-phase chemistry and radiation treatments (a photon Monte Carlo method with line-by-line spectral resolution for gas and wall radiation - PMC/LBL) and a transported probability density function (PDF) method to account for turbulent fluctuations in composition and temperature. The model is first validated for a 0.8 MW oxy-natural gas furnace, and the level of agreement between model and experiment is found to be at least as good as any that has been published earlier. Next, simulations are performed with systematic model variations to provide insight into the roles of individual physical processes and their interplay in high-temperature oxy-fuel combustion. This includes variations in the chemical mechanism and the radiation model, and comparisons of results obtained with versus without the PDF method to isolate and quantify the effects of turbulence-chemistry interactions and turbulence-radiation interactions. In this combustion environment, it is found to be important to account for the interconversion of CO and CO2, and radiation plays a dominant role. The PMC/LBL model allows the effects of molecular gas radiation and wall radiation to be clearly separated and quantified. Radiation and chemistry are tightly coupled through the temperature, and correct temperature prediction is required for correct prediction of the CO/CO2 ratio. Turbulence-chemistry interactions influence the computed flame structure and mean CO levels. Strong local effects of turbulence-radiation interactions are found in the flame, but the net influence of TRI on computed mean temperature and species profiles is small. The ultimate goal of this research is to simulate high-temperature oxy-coal combustion, where accurate treatments of chemistry, radiation and turbulence-chemistry-particle-radiation interactions will be even more important.

The Chemistry of Perfume: A Laboratory Course for Nonscience Majors

ERIC Educational Resources Information Center

Logan, Jennifer L.; Rumbaugh, Craig E.

2012-01-01

"The Chemistry of Perfume" is a lab-only course for nonscience majors. Students learn fundamental concepts of chemistry through the context of fragrance, a pervasive aspect of daily life. The course consists of laboratories pertaining to five units: introduction, extraction, synthesis, characterization, and application. The introduction unit…

Application of spectroscopic techniques in the radiation dosimetry of glasses: An update

NASA Astrophysics Data System (ADS)

Natarajan, V.

2009-07-01

The colorimetry and thermoluminescence properties of gamma irradiated glass were reported in as early as 1920. The utility of radio-photoluminescence (RPL) of silver activated metaphosphate glass for monitoring high doses of accidental and routine gamma radiation was reported in the 1960s. Since then considerable amount of research work has been carried out to study the thermoluminescence (TL), optical absorption (OA), electron paramagnetic resonance (EPR) and optically stimulated luminescence (OSL) of different commercially available glasses for high as well as low dose applications. A brief review of the progress made in the spectroscopic studies of glasses during the past few decades and the application of glasses for radiation dosimetry has been given in this paper.

The ChemViz Project: Using a Supercomputer To Illustrate Abstract Concepts in Chemistry.

ERIC Educational Resources Information Center

Beckwith, E. Kenneth; Nelson, Christopher

1998-01-01

Describes the Chemistry Visualization (ChemViz) Project, a Web venture maintained by the University of Illinois National Center for Supercomputing Applications (NCSA) that enables high school students to use computational chemistry as a technique for understanding abstract concepts. Discusses the evolution of computational chemistry and provides a…

Effect of wood ash application on soil solution chemistry of tropical acid soils: incubation study.

PubMed

Nkana, J C Voundi; Demeyer, A; Verloo, M G

2002-12-01

The objective of this study was to determine the effect of wood ash application on soil solution composition of three tropical acid soils. Calcium carbonate was used as a reference amendment. Amended soils and control were incubated for 60 days. To assess soluble nutrients, saturation extracts were analysed at 15 days intervals. Wood ash application affects the soil solution chemistry in two ways, as a liming agent and as a supplier of nutrients. As a liming agent, wood ash application induced increases in soil solution pH, Ca, Mg, inorganic C, SO4 and DOC. As a supplier of elements, the increase in the soil solution pH was partly due to ligand exchange between wood ash SO4 and OH- ions. Large increases in concentrations of inorganic C, SO4, Ca and Mg with wood ash relative to lime and especially increases in K reflected the supply of these elements by wood ash. Wood ash application could represent increased availability of nutrients for the plant. However, large concentrations of basic cations, SO4 and NO3 obtained with higher application rates could be a concern because of potential solute transport to surface waters and groundwater. Wood ash must be applied at reasonable rates to avoid any risk for the environment.

Ultrafast electron microscopy in materials science, biology, and chemistry

NASA Astrophysics Data System (ADS)

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

2005-06-01

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

Airborne chemistry: acoustic levitation in chemical analysis.

PubMed

Santesson, Sabina; Nilsson, Staffan

2004-04-01

This review with 60 references describes a unique path to miniaturisation, that is, the use of acoustic levitation in analytical and bioanalytical chemistry applications. Levitation of small volumes of sample by means of a levitation technique can be used as a way to avoid solid walls around the sample, thus circumventing the main problem of miniaturisation, the unfavourable surface-to-volume ratio. Different techniques for sample levitation have been developed and improved. Of the levitation techniques described, acoustic or ultrasonic levitation fulfils all requirements for analytical chemistry applications. This technique has previously been used to study properties of molten materials and the equilibrium shape()and stability of liquid drops. Temperature and mass transfer in levitated drops have also been described, as have crystallisation and microgravity applications. The airborne analytical system described here is equipped with different and exchangeable remote detection systems. The levitated drops are normally in the 100 nL-2 microL volume range and additions to the levitated drop can be made in the pL-volume range. The use of levitated drops in analytical and bioanalytical chemistry offers several benefits. Several remote detection systems are compatible with acoustic levitation, including fluorescence imaging detection, right angle light scattering, Raman spectroscopy, and X-ray diffraction. Applications include liquid/liquid extractions, solvent exchange, analyte enrichment, single-cell analysis, cell-cell communication studies, precipitation screening of proteins to establish nucleation conditions, and crystallisation of proteins and pharmaceuticals.

Pulsed electron accelerator for radiation technologies in the enviromental applications

NASA Astrophysics Data System (ADS)

Korenev, Sergey

1997-05-01

The project of pulsed electron accelerator for radiation technologies in the environmental applications is considered. An accelerator consists of high voltage generator with vacuum insulation and vacuum diode with plasma cathode on the basis discharge on the surface of dielectric of large dimensions. The main parameters of electron accelerators are following: kinetic energy 0.2 - 2.0 MeV, electron beam current 1 - 30 kA and pulse duration 1- 5 microseconds. The main applications of accelerator for decomposition of wastewaters are considered.

Chemistry and Crime: From Sherlock Holmes to Today's Courtroom.

ERIC Educational Resources Information Center

Gerber, Samuel M., Ed.

The application of the principles of chemistry both for committing crimes and for tracking down criminals interests audiences of all ages and walks of life. This interest is the reason for the long-standing popularity of fictional works that describe crimes made possible by the criminal's knowledge of chemistry and crimes solved by the sleuth's…

Radiation grafted adsorbents for newly emerging environmental applications

NASA Astrophysics Data System (ADS)

Mahmoud Nasef, Mohamed; Ting, T. M.; Abbasi, Ali; Layeghi-moghaddam, Alireza; Sara Alinezhad, S.; Hashim, Kamaruddin

2016-01-01

Radiation induced grafting (RIG) is acquired to prepare a number of adsorbents for newly emerging environmental applications using a single route involving RIG of glycidymethacrylate (GMA) onto polyethylene-polypropylene (PE-PP) non-woven fabric. The grafted fabric was subjected to one of three functionalization reactions to impart desired ionic characters. This included treatment with (1) N-dimethyl-D-glucamine, (2) triethylamine and (3) triethylamine and alkalisation with KOH. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscope (SEM) were used to study the changes in chemical and physical structures of the obtained fibrous adsorbents. The potential applications of the three adsorbents for removal of boron from solutions, capturing CO2 from CO2/N2 mixtures and catalysing transesterification of triacetin/methanol to methyl acetate (biodiesel) were explored. The obtained fibrous adsorbents provide potential alternatives to granular resins for the investigated applications and require further development.

Elementary and brief introduction of hadronic chemistry

NASA Astrophysics Data System (ADS)

Tangde, Vijay M.

2013-10-01

The discipline, today known as Quantum Chemistry for atomic and subatomic level interactions has no doubt made a significant historical contributions to the society. Despite of its significant achievements, quantum chemistry is also known for its widespread denial of insufficiencies it inherits. An Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures without any quantitative scientific contents. Professor R M Santilli first formulated the iso-, geno- and hyper-mathematics [1-4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli's mathematics[3-5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6-8]. In the present discussion, we have briefly reviewed the conceptual foundations of Hadronic Chemistry that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary and its application in development of a new chemical species called Magnecules.

Halogen Chemistry at North American Coastal Sites

NASA Astrophysics Data System (ADS)

Stutz, J.; Pikelnaya, O.; Laskin, A.; Sumner, A.; Jobson, B. T.; Finley, B.; Lawler, M.; Saltzman, E. S.; Pszenny, A. A.; Deegan, B.

2007-12-01

In recent years observational evidence has emerged that reactive halogen species (RHS), such as chlorine atoms, and bromine and iodine oxides, are present in coastal areas. Their chemistry can be significant as they catalytically destroy O3; oxidize hydrocarbons, dimethylsulfide, and S(IV); and modify NOx and HOx cycling. Despite their potential importance our observational database on RHS is still very limited. Most observations of RHS thus far have been made in clean areas and very few observations along the North American coast have been made. Here we will review our current understanding of RHS chemistry in both clean and polluted environments. Recent observations at coastal areas around the world will be discussed. We will also give an overview of an experiment performed by our group in Malibu, CA in October 2006 and present initial results. A suite of trace gases and environmental parameters, including halogen molecules, halogen oxides, Cl + VOC reaction products, aerosol composition, O3, NOx, CO, VOCs, meteorology, and radiation, were measured during a three week period. In addition, Cl + VOC reaction products were measured at two locations in urban Los Angeles. Clear evidence for the presence of various halogen species on the California coast was found. Observations during periods with relatively clean marine air and during times where our site was in the outflow of Los Angeles show the impact of pollution on coastal atmospheric chemistry. Our observations will be compared to earlier studies of halogen chemistry at coastal areas to further advance our understanding of halogen chemistry.

Knot theory in modern chemistry.

PubMed

Horner, Kate E; Miller, Mark A; Steed, Jonathan W; Sutcliffe, Paul M

2016-11-21

Knot theory is a branch of pure mathematics, but it is increasingly being applied in a variety of sciences. Knots appear in chemistry, not only in synthetic molecular design, but also in an array of materials and media, including some not traditionally associated with knots. Mathematics and chemistry can now be used synergistically to identify, characterise and create knots, as well as to understand and predict their physical properties. This tutorial review provides a brief introduction to the mathematics of knots and related topological concepts in the context of the chemical sciences. We then survey the broad range of applications of the theory to contemporary research in the field.

Application of Stochastic and Deterministic Approaches to Modeling Interstellar Chemistry

NASA Astrophysics Data System (ADS)

Pei, Yezhe

This work is about simulations of interstellar chemistry using the deterministic rate equation (RE) method and the stochastic moment equation (ME) method. Primordial metal-poor interstellar medium (ISM) is of our interest and the socalled “Population-II” stars could have been formed in this environment during the “Epoch of Reionization” in the baby universe. We build a gas phase model using the RE scheme to describe the ionization-powered interstellar chemistry. We demonstrate that OH replaces CO as the most abundant metal-bearing molecule in such interstellar clouds of the early universe. Grain surface reactions play an important role in the studies of astrochemistry. But the lack of an accurate yet effective simulation method still presents a challenge, especially for large, practical gas-grain system. We develop a hybrid scheme of moment equations and rate equations (HMR) for large gas-grain network to model astrochemical reactions in the interstellar clouds. Specifically, we have used a large chemical gas-grain model, with stochastic moment equations to treat the surface chemistry and deterministic rate equations to treat the gas phase chemistry, to simulate astrochemical systems as of the ISM in the Milky Way, the Large Magellanic Cloud (LMC) and Small Magellanic Cloud (SMC). We compare the results to those of pure rate equations and modified rate equations and present a discussion about how moment equations improve our theoretical modeling and how the abundances of the assorted species are changed by varied metallicity. We also model the observed composition of H2O, CO and CO2 ices toward Young Stellar Objects in the LMC and show that the HMR method gives a better match to the observation than the pure RE method.

Materials Chemistry of Nanoultrasonic Biomedicine.

PubMed

Tang, Hailin; Zheng, Yuanyi; Chen, Yu

2017-03-01

As a special cross-disciplinary research frontier, nanoultrasonic biomedicine refers to the design and synthesis of nanomaterials to solve some critical issues of ultrasound (US)-based biomedicine. The concept of nanoultrasonic biomedicine can also overcome the drawbacks of traditional microbubbles and promote the generation of novel US-based contrast agents or synergistic agents for US theranostics. Here, we discuss the recent developments of material chemistry in advancing the nanoultrasonic biomedicine for diverse US-based bio-applications. We initially introduce the design principles of novel nanoplatforms for serving the nanoultrasonic biomedicine, from the viewpoint of synthetic material chemistry. Based on these principles and diverse US-based bio-application backgrounds, the representative proof-of-concept paradigms on this topic are clarified in detail, including nanodroplet vaporization for intelligent/responsive US imaging, multifunctional nano-contrast agents for US-based multi-modality imaging, activatable synergistic agents for US-based therapy, US-triggered on-demand drug releasing, US-enhanced gene transfection, US-based synergistic therapy on combating the cancer and potential toxicity issue of screening various nanosystems suitable for nanoultrasonic biomedicine. It is highly expected that this novel nanoultrasonic biomedicine and corresponding high performance in US imaging and therapy can significantly promote the generation of new sub-discipline of US-based biomedicine by rationally integrating material chemistry and theranostic nanomedicine with clinical US-based biomedicine. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Organic Carbamates in Drug Design and Medicinal Chemistry

PubMed Central

2016-01-01

The carbamate group is a key structural motif in many approved drugs and prodrugs. There is an increasing use of carbamates in medicinal chemistry and many derivatives are specifically designed to make drug–target interactions through their carbamate moiety. In this Perspective, we present properties and stabilities of carbamates, reagents and chemical methodologies for the synthesis of carbamates, and recent applications of carbamates in drug design and medicinal chemistry. PMID:25565044

Organic carbamates in drug design and medicinal chemistry.

PubMed

Ghosh, Arun K; Brindisi, Margherita

2015-04-09

The carbamate group is a key structural motif in many approved drugs and prodrugs. There is an increasing use of carbamates in medicinal chemistry and many derivatives are specifically designed to make drug-target interactions through their carbamate moiety. In this Perspective, we present properties and stabilities of carbamates, reagents and chemical methodologies for the synthesis of carbamates, and recent applications of carbamates in drug design and medicinal chemistry.

On determining important aspects of mathematical models: Application to problems in physics and chemistry

NASA Technical Reports Server (NTRS)

Rabitz, Herschel

1987-01-01

The use of parametric and functional gradient sensitivity analysis techniques is considered for models described by partial differential equations. By interchanging appropriate dependent and independent variables, questions of inverse sensitivity may be addressed to gain insight into the inversion of observational data for parameter and function identification in mathematical models. It may be argued that the presence of a subset of dominantly strong coupled dependent variables will result in the overall system sensitivity behavior collapsing into a simple set of scaling and self similarity relations amongst elements of the entire matrix of sensitivity coefficients. These general tools are generic in nature, but herein their application to problems arising in selected areas of physics and chemistry is presented.

Chemistry Rocks: Redox Chemistry as a Geologic Tool.

ERIC Educational Resources Information Center

Burns, Mary Sue

2001-01-01

Applies chemistry to earth science, uses rocks in chemistry laboratories, and teaches about transition metal chemistry, oxidation states, and oxidation-reduction reactions from firsthand experiences. (YDS)

The effect of radiation on a variety of pharmaceuticals and materials containing polymers.

PubMed

Silindir, Mine; Ozer, Yekta

2012-01-01

different kinds of packaging materials have brought additional value to radiosterilization. However, radiation sterilization is more expensive than the other sterilization methods that require large facilities. Although this method is safe in application, the effects of radiation on drugs and polymers must be evaluated by various analytical methods. In the nuclear chemistry and radiochemistry field, more effective and novel methods are being developed to decrease the harmful effects of radiation on materials.

[Advancements of computer chemistry in separation of Chinese medicine].

PubMed

Li, Lingjuan; Hong, Hong; Xu, Xuesong; Guo, Liwei

2011-12-01

Separating technique of Chinese medicine is not only a key technique in the field of Chinese medicine' s research and development, but also a significant step in the modernization of Chinese medicinal preparation. Computer chemistry can build model and look for the regulations from Chinese medicine system which is full of complicated data. This paper analyzed the applicability, key technology, basic mode and common algorithm of computer chemistry applied in the separation of Chinese medicine, introduced the mathematic mode and the setting methods of Extraction kinetics, investigated several problems which based on traditional Chinese medicine membrane procession, and forecasted the application prospect.

High School Teachers' Understanding of Blackbody Radiation

ERIC Educational Resources Information Center

Balta, Nuri

2018-01-01

This study is a detailed look at the level of understanding of fundamental ideas about blackbody radiation (BBR) among physics teachers. The aim is to explore associations and ideas that teachers have regarding blackbody radiation: a concept used routinely in physics and chemistry, which is necessary to understand fundamentals of quantum physics.…

Asymmetric translation between multiple representations in chemistry

NASA Astrophysics Data System (ADS)

Lin, Yulan I.; Son, Ji Y.; Rudd, James A., II

2016-03-01

Experts are more proficient in manipulating and translating between multiple representations (MRs) of a given concept than novices. Studies have shown that instruction using MR can increase student understanding of MR, and one model for MR instruction in chemistry is the chemistry triplet proposed by Johnstone. Concreteness fading theory suggests that presenting concrete representations before abstract representations can increase the effectiveness of MR instruction; however, little work has been conducted on varying the order of different representations during instruction and the role of concreteness in assessment. In this study, we investigated the application of concreteness fading to MR instruction and assessment in teaching chemistry. In two experiments, undergraduate students in either introductory psychology courses or general chemistry courses were given MR instruction on phase changes using different orders of presentation and MR assessment questions based on the representations in the chemistry triplet. Our findings indicate that the order of presentation based on levels of concreteness in MR chemistry instruction is less important than implementation of comprehensive MR assessments. Even after MR instruction, students display an asymmetric understanding of the chemical phenomenon on the MR assessments. Greater emphasis on MR assessments may be an important component in MR instruction that effectively moves novices toward more expert MR understanding.

Carbon nanotubes buckypaper radiation studies for medical physics applications.

PubMed

Alanazi, Abdulaziz; Alkhorayef, Mohammed; Alzimami, Khalid; Jurewicz, Izabela; Abuhadi, Nouf; Dalton, Alan; Bradley, D A

2016-11-01

Graphite ion chambers and semiconductor diode detectors have been used to make measurements in phantoms but these active devices represent a clear disadvantage when considered for in vivo dosimetry. In such circumstance, dosimeters with atomic number similar to human tissue are needed. Carbon nanotubes have properties that potentially meet the demand, requiring low voltage in active devices and an atomic number similar to adipose tissue. In this study, single-wall carbon nanotubes (SWCNTs) buckypaper has been used to measure the beta particle dose deposited from a strontium-90 source, the medium displaying thermoluminescence at potentially useful sensitivity. As an example, the samples show a clear response for a dose of 2Gy. This finding suggests that carbon nanotubes can be used as a passive dosimeter specifically for the high levels of radiation exposures used in radiation therapy. Furthermore, the finding points towards further potential applications such as for space radiation measurements, not least because the medium satisfies a demand for light but strong materials of minimal capacitance. Copyright © 2016 Elsevier Ltd. All rights reserved.

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

PubMed

Karayannis, Miltiades I; Efstathiou, Constantinos E

2012-12-15

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

Investigation of Radiation Resistant Polymer Photodetectors for Space Applications

DTIC Science & Technology

2002-09-11

54 A. XPD Data 54 B. Bibliography 56 iv FIGURES Figure Page 1. Electron transfer in a self-assembled dye-sensitized heterojunction device...electrooptic technology for space applications. By employing molecular engineering to achieve selective orientation of π- electrons within the polymer...temperature, vacuum and radiation induced degradation. Many of these adverse effects are well known for a wide variety of inorganic electronic materials

Development and Application of a Two-Tier Multiple Choice Diagnostic Instrument To Assess High School Students' Understanding of Inorganic Chemistry Qualitative Analysis.

ERIC Educational Resources Information Center

Tan, Kim Chwee Daniel; Goh, Ngoh Khang; Chia, Lian Sai; Treagust, David F.

2002-01-01

Describes the development and application of a two-tier multiple choice diagnostic instrument to assess high school students' understanding of inorganic chemistry qualitative analysis. Shows that the Grade 10 students had difficulty understanding the reactions involved in the identification of cations and anions, for example, double decomposition…

Methodology in diagnostic laboratory test research in clinical chemistry and clinical chemistry and laboratory medicine.

PubMed

Lumbreras-Lacarra, Blanca; Ramos-Rincón, José Manuel; Hernández-Aguado, Ildefonso

2004-03-01

The application of epidemiologic principles to clinical diagnosis has been less developed than in other clinical areas. Knowledge of the main flaws affecting diagnostic laboratory test research is the first step for improving its quality. We assessed the methodologic aspects of articles on laboratory tests. We included articles that estimated indexes of diagnostic accuracy (sensitivity and specificity) and were published in Clinical Chemistry or Clinical Chemistry and Laboratory Medicine in 1996, 2001, and 2002. Clinical Chemistry has paid special attention to this field of research since 1996 by publishing recommendations, checklists, and reviews. Articles were identified through electronic searches in Medline. The strategy combined the Mesh term "sensitivity and specificity" (exploded) with the text words "specificity", "false negative", and "accuracy". We examined adherence to seven methodologic criteria used in the study by Reid et al. (JAMA1995;274:645-51) of papers published in general medical journals. Three observers evaluated each article independently. Seventy-nine articles fulfilled the inclusion criteria. The percentage of studies that satisfied each criterion improved from 1996 to 2002. Substantial improvement was observed in reporting of the statistical uncertainty of indices of diagnostic accuracy, in criteria based on clinical information from the study population (spectrum composition), and in avoidance of workup bias. Analytical reproducibility was reported frequently (68%), whereas information about indeterminate results was rarely provided. The mean number of methodologic criteria satisfied showed a statistically significant increase over the 3 years in Clinical Chemistry but not in Clinical Chemistry and Laboratory Medicine. The methodologic quality of the articles on diagnostic test research published in Clinical Chemistry and Clinical Chemistry and Laboratory Medicine is comparable to the quality observed in the best general medical journals

On the chemistry of Jupiter's upper atmosphere

USGS Publications Warehouse

Saslaw, W.C.; Wildey, R.L.

1967-01-01

We conduct a first investigation into the ion-molecule chemistry of the upper Jovian atmosphere. Experimental results show that intense ultraviolet radiation reacts with the constituents of the Jovian atmosphere to produce C2H4, C2H6, C3H8, and higher polymers. The general procedure for calculating both equilibrium and nonequilibrium abundances of these products is formulated and applied to the case of the surface passage of a satellite shadow. A specific example is made of ethylene, for which an analytical approximation gives 1010 molecules in an atmospheric column of 1 cm2 cross section after a very rapid rise to equilibrium. Such a concentration of ethylene does not substantially affect the infrared radiation in the shadow. ?? 1967.

Production of metals and compounds by radiation chemistry

NASA Technical Reports Server (NTRS)

Marsik, S. J.; Philipp, W. H.

1969-01-01

Preparation of metals and compounds by radiation induced chemical reactions involves irradiation of metal salt solutions with high energy electrons. This technique offers a method for the preparation of high purity metals with minimum contamination from the container material or the cover gas.

The chemistry of planet-forming regions is not interstellar.

PubMed

Pontoppidan, Klaus M; Blevins, Sandra M

2014-01-01

Advances in infrared and submillimeter technology have allowed for detailed observations of the molecular content of the planet-forming regions of protoplanetary disks. In particular, disks around solar-type stars now have growing molecular inventories that can be directly compared with both prestellar chemistry and that inferred for the early solar nebula. The data directly address the old question of whether the chemistry of planet-forming matter is similar or different and unique relative to the chemistry of dense clouds and protostellar envelopes. The answer to this question may have profound consequences for the structure and composition of planetary systems. The practical challenge is that observations of emission lines from disks do not easily translate into chemical concentrations. Here, we present a two-dimensional radiative transfer model of RNO 90, a classical protoplanetary disk around a solar-mass star, and retrieve the concentrations of dominant molecular carriers of carbon, oxygen and nitrogen in the terrestrial region around 1 AU. We compare our results to the chemical inventory of dense clouds and protostellar envelopes, and argue that inner disk chemistry is, as expected, fundamentally different from prestellar chemistry. We find that the clearest discriminant may be the concentration of CO2, which is extremely low in disks, but one of the most abundant constituents of dense clouds and protostellar envelopes.

DNA-encoded chemistry: enabling the deeper sampling of chemical space.

PubMed

Goodnow, Robert A; Dumelin, Christoph E; Keefe, Anthony D

2017-02-01

DNA-encoded chemical library technologies are increasingly being adopted in drug discovery for hit and lead generation. DNA-encoded chemistry enables the exploration of chemical spaces four to five orders of magnitude more deeply than is achievable by traditional high-throughput screening methods. Operation of this technology requires developing a range of capabilities including aqueous synthetic chemistry, building block acquisition, oligonucleotide conjugation, large-scale molecular biological transformations, selection methodologies, PCR, sequencing, sequence data analysis and the analysis of large chemistry spaces. This Review provides an overview of the development and applications of DNA-encoded chemistry, highlighting the challenges and future directions for the use of this technology.

The flow synthesis of heterocycles for natural product and medicinal chemistry applications.

PubMed

Baumann, Marcus; Baxendale, Ian R; Ley, Steven V

2011-08-01

This article represents an overview of recent research from the Innovative Technology Centre in the field of flow chemistry which was presented at the FROST2 meeting in Budapest in October 2009. After a short introduction of this rapidly expanding field, we discuss some of our results with a main focus on the synthesis of heterocyclic compounds which we use in various natural product and medicinal chemistry programmes.

AerChemMIP: Quantifying the effects of chemistry and aerosols in CMIP6

DOE PAGES

Collins, William J.; Lamarque, Jean -François; Schulz, Michael; ...

2017-02-09

The Aerosol Chemistry Model Intercomparison Project (AerChemMIP) is endorsed by the Coupled-Model Intercomparison Project 6 (CMIP6) and is designed to quantify the climate and air quality impacts of aerosols and chemically reactive gases. These are specifically near-term climate forcers (NTCFs: methane, tropospheric ozone and aerosols, and their precursors), nitrous oxide and ozone-depleting halocarbons. The aim of AerChemMIP is to answer four scientific questions. 1. How have anthropogenic emissions contributed to global radiative forcing and affected regional climate over the historical period? 2. How might future policies (on climate, air quality and land use) affect the abundances of NTCFs and theirmore » climate impacts? 3.How do uncertainties in historical NTCF emissions affect radiative forcing estimates? 4. How important are climate feedbacks to natural NTCF emissions, atmospheric composition, and radiative effects? These questions will be addressed through targeted simulations with CMIP6 climate models that include an interactive representation of tropospheric aerosols and atmospheric chemistry. These simulations build on the CMIP6 Diagnostic, Evaluation and Characterization of Klima (DECK) experiments, the CMIP6 historical simulations, and future projections performed elsewhere in CMIP6, allowing the contributions from aerosols and/or chemistry to be quantified. As a result, specific diagnostics are requested as part of the CMIP6 data request to highlight the chemical composition of the atmosphere, to evaluate the performance of the models, and to understand differences in behaviour between them.« less

AerChemMIP: Quantifying the effects of chemistry and aerosols in CMIP6

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collins, William J.; Lamarque, Jean -François; Schulz, Michael

The Aerosol Chemistry Model Intercomparison Project (AerChemMIP) is endorsed by the Coupled-Model Intercomparison Project 6 (CMIP6) and is designed to quantify the climate and air quality impacts of aerosols and chemically reactive gases. These are specifically near-term climate forcers (NTCFs: methane, tropospheric ozone and aerosols, and their precursors), nitrous oxide and ozone-depleting halocarbons. The aim of AerChemMIP is to answer four scientific questions. 1. How have anthropogenic emissions contributed to global radiative forcing and affected regional climate over the historical period? 2. How might future policies (on climate, air quality and land use) affect the abundances of NTCFs and theirmore » climate impacts? 3.How do uncertainties in historical NTCF emissions affect radiative forcing estimates? 4. How important are climate feedbacks to natural NTCF emissions, atmospheric composition, and radiative effects? These questions will be addressed through targeted simulations with CMIP6 climate models that include an interactive representation of tropospheric aerosols and atmospheric chemistry. These simulations build on the CMIP6 Diagnostic, Evaluation and Characterization of Klima (DECK) experiments, the CMIP6 historical simulations, and future projections performed elsewhere in CMIP6, allowing the contributions from aerosols and/or chemistry to be quantified. As a result, specific diagnostics are requested as part of the CMIP6 data request to highlight the chemical composition of the atmosphere, to evaluate the performance of the models, and to understand differences in behaviour between them.« less

Impact of resolution on aerosol radiative feedbacks with in online-coupled chemistry/climate simulations (WRF-Chem) for EURO-CORDEX compliant domains

NASA Astrophysics Data System (ADS)

López-Romero, Jose Maria; Baró, Rocío; Palacios-Peña, Laura; Jerez, Sonia; Jiménez-Guerrero, Pedro; Montávez, Juan Pedro

2016-04-01

Several studies have shown that a high spatial resolution in atmospheric model runs improves the simulation of some meteorological variables, such as precipitation, particularly extreme events and in regions with complex orography [1]. However, increasing model spatial resolution makes the computational time rise exponentially. Hence, very high resolution experiments on large domains can hamper the execution of climatic runs. This problem shoots up when using online-coupled chemistry climate models, making a careful evaluation of improvements versus costs mandatory. Under this umbrella, the objective of this work is to investigate the sensitivity of aerosol radiative feedbacks from online-coupled chemistry regional model simulations to the spatial resolution. For that, the WRF-Chem [2] model is used for a case study to simulate the episode occurring between July 25th and August 15th of 2010. It is characterized by a high loading of atmospheric aerosol particles coming mainly from wildfires over large European regions (Russia, Iberian Peninsula). Three spatial resolutions are used defined for Euro-Cordex compliant domains [3]: 0.44°, 0.22° and 0.11°. Anthropogenic emissions come from TNO databases [4]. The analysis focuses on air quality variables (mainly PM10, PM2.5), meteorological variables (temperature, radiation) and other aerosol optical properties (aerosol optical depth). The CPU time ratio for the different domains is 1 (0.44°), 4(0.22°) and 28(0.11°) (normalized times). Comparison among simulations and observations are analyzed. Preliminary results show the difficulty to justify the much larger computational cost of high-resolution experiments when comparing with observations from a meteorological point of view, despite the finer spatio-temporal detail of the obtained pollutant fields. [1] Prein, A. F. (2014, December). Precipitation in the EURO-CORDEX 0.11° and 0.44° simulations: high resolution, high benefits?. In AGU Fall Meeting Abstracts (Vol

Computational Modeling of Radiation Phenomenon in SiC for Nuclear Applications

NASA Astrophysics Data System (ADS)

Ko, Hyunseok

Silicon carbide (SiC) material has been investigated for promising nuclear materials owing to its superior thermo-mechanical properties, and low neutron cross-section. While the interest in SiC has been increasing, the lack of fundamental understanding in many radiation phenomena is an important issue. More specifically, these phenomena in SiC include the fission gas transport, radiation induced defects and its evolution, radiation effects on the mechanical stability, matrix brittleness of SiC composites, and low thermal conductivities of SiC composites. To better design SiC and SiC composite materials for various nuclear applications, understanding each phenomenon and its significance under specific reactor conditions is important. In this thesis, we used various modeling approaches to understand the fundamental radiation phenomena in SiC for nuclear applications in three aspects: (a) fission product diffusion through SiC, (b) optimization of thermodynamic stable self-interstitial atom clusters, (c) interface effect in SiC composite and their change upon radiation. In (a) fission product transport work, we proposed that Ag/Cs diffusion in high energy grain boundaries may be the upper boundary in unirradiated SiC at relevant temperature, and radiation enhanced diffusion is responsible for fast diffusion measured in post-irradiated fuel particles. For (b) the self-interstitial cluster work, thermodynamically stable clusters are identified as a function of cluster size, shape, and compositions using a genetic algorithm. We found that there are compositional and configurational transitions for stable clusters as the cluster size increases. For (c) the interface effect in SiC composite, we investigated recently proposed interface, which is CNT reinforced SiC composite. The analytical model suggests that CNT/SiC composites have attractive mechanical and thermal properties, and these fortify the argument that SiC composites are good candidate materials for the cladding

A new hybrid transfinite element computational methodology for applicability to conduction/convection/radiation heat transfer

NASA Technical Reports Server (NTRS)

Tamma, Kumar K.; Railkar, Sudhir B.

1988-01-01

This paper describes new and recent advances in the development of a hybrid transfinite element computational methodology for applicability to conduction/convection/radiation heat transfer problems. The transfinite element methodology, while retaining the modeling versatility of contemporary finite element formulations, is based on application of transform techniques in conjunction with classical Galerkin schemes and is a hybrid approach. The purpose of this paper is to provide a viable hybrid computational methodology for applicability to general transient thermal analysis. Highlights and features of the methodology are described and developed via generalized formulations and applications to several test problems. The proposed transfinite element methodology successfully provides a viable computational approach and numerical test problems validate the proposed developments for conduction/convection/radiation thermal analysis.

Computer Series, 101: Accurate Equations of State in Computational Chemistry Projects.

ERIC Educational Resources Information Center

Albee, David; Jones, Edward

1989-01-01

Discusses the use of computers in chemistry courses at the United States Military Academy. Provides two examples of computer projects: (1) equations of state, and (2) solving for molar volume. Presents BASIC and PASCAL listings for the second project. Lists 10 applications for physical chemistry. (MVL)

Refinement, Application, and Evaluation of Cognitive and Affective Chemistry Measures for College Students

ERIC Educational Resources Information Center

Heredia, Keily

2013-01-01

This work describes three case studies conducted to address two major problems in the area of chemistry education research, the lack of reported psychometrics regarding instrument scores, and the need for well-characterized assessments to evaluate college chemistry curricula. The first case study describes a psychometric evaluation of the Colorado…

Radiation Tolerant Interfaces: Influence of Local Stoichiometry at the Misfit Dislocation on Radiation Damage Resistance of Metal/Oxide Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shutthanandan, Vaithiyalingam; Choudhury, Samrat; Manandhar, Sandeep

The interaction of radiation with materials controls the performance, reliability, and safety of many structures in nuclear power systems. Revolutionary improvements in radiation damage resistance may be attainable if methods can be found to manipulate interface properties to give optimal interface stability and point defect recombination capability. To understand how variations in interface properties such as misfit dislocation density and local chemistry affect radiation-induced defect absorption and recombination, a model system of metallic Cr xV 1-x (0 ≤ x ≤ 1) epitaxial films deposited on MgO(001) single crystal substrates has been explored in this paper. By controlling film composition, themore » lattice mismatch between the film and MgO is adjusted to vary the misfit dislocation density at the metal/oxide interface. The stability of these interfaces under various irradiation conditions is studied experimentally and theoretically. The results indicate that, unlike at metal/metal interfaces, the misfit dislocation density does not dominate radiation damage tolerance at metal/oxide interfaces. Rather, the stoichiometry and the location of the misfit dislocation extra half-plane (in the metal or the oxide) drive radiation-induced defect behavior. Finally, together, these results demonstrate the sensitivity of defect recombination to interfacial chemistry and provide new avenues for engineering radiation-tolerant nanomaterials for next-generation nuclear power plants.« less

Radiation Tolerant Interfaces: Influence of Local Stoichiometry at the Misfit Dislocation on Radiation Damage Resistance of Metal/Oxide Interfaces

DOE PAGES

Shutthanandan, Vaithiyalingam; Choudhury, Samrat; Manandhar, Sandeep; ...

2017-04-24

The interaction of radiation with materials controls the performance, reliability, and safety of many structures in nuclear power systems. Revolutionary improvements in radiation damage resistance may be attainable if methods can be found to manipulate interface properties to give optimal interface stability and point defect recombination capability. To understand how variations in interface properties such as misfit dislocation density and local chemistry affect radiation-induced defect absorption and recombination, a model system of metallic Cr xV 1-x (0 ≤ x ≤ 1) epitaxial films deposited on MgO(001) single crystal substrates has been explored in this paper. By controlling film composition, themore » lattice mismatch between the film and MgO is adjusted to vary the misfit dislocation density at the metal/oxide interface. The stability of these interfaces under various irradiation conditions is studied experimentally and theoretically. The results indicate that, unlike at metal/metal interfaces, the misfit dislocation density does not dominate radiation damage tolerance at metal/oxide interfaces. Rather, the stoichiometry and the location of the misfit dislocation extra half-plane (in the metal or the oxide) drive radiation-induced defect behavior. Finally, together, these results demonstrate the sensitivity of defect recombination to interfacial chemistry and provide new avenues for engineering radiation-tolerant nanomaterials for next-generation nuclear power plants.« less

Current status and future perspectives of electron interactions with molecules, clusters, surfaces, and interfaces [Workshop on Fundamental challenges in electron-driven chemistry; Workshop on Electron-driven processes: Scientific challenges and technological opportunities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Becker, Kurt H.; McCurdy, C. William; Orlando, Thomas M.

2000-09-01

This report is based largely on presentations and discussions at two workshops and contributions from workshop participants. The workshop on Fundamental Challenges in Electron-Driven Chemistry was held in Berkeley, October 9-10, 1998, and addressed questions regarding theory, computation, and simulation. The workshop on Electron-Driven Processes: Scientific Challenges and Technological Opportunities was held at Stevens Institute of Technology, March 16-17, 2000, and focused largely on experiments. Electron-molecule and electron-atom collisions initiate and drive almost all the relevant chemical processes associated with radiation chemistry, environmental chemistry, stability of waste repositories, plasma-enhanced chemical vapor deposition, plasma processing of materials for microelectronic devices andmore » other applications, and novel light sources for research purposes (e.g. excimer lamps in the extreme ultraviolet) and in everyday lighting applications. The life sciences are a rapidly advancing field where the important role of electron-driven processes is only now beginning to be recognized. Many of the applications of electron-initiated chemical processes require results in the near term. A large-scale, multidisciplinary and collaborative effort should be mounted to solve these problems in a timely way so that their solution will have the needed impact on the urgent questions of understanding the physico-chemical processes initiated and driven by electron interactions.« less

Radiolabeling Silica-Based Nanoparticles via Coordination Chemistry: Basic Principles, Strategies, and Applications.

PubMed

Ni, Dalong; Jiang, Dawei; Ehlerding, Emily B; Huang, Peng; Cai, Weibo

2018-03-20

As one of the most biocompatible and well-tolerated inorganic nanomaterials, silica-based nanoparticles (SiNPs) have received extensive attention over the last several decades. Recently, positron emission tomography (PET) imaging of radiolabeled SiNPs has provided a highly sensitive, noninvasive, and quantitative readout of the organ/tissue distribution, pharmacokinetics, and tumor targeting efficiency in vivo, which can greatly expedite the clinical translation of these promising NPs. Encouraged by the successful PET imaging of patients with metastatic melanoma using 124 I-labeled ultrasmall SiNPs (known as Cornell dots or C dots) and their approval as an Investigational New Drug (IND) by the United States Food and Drug Administration, different radioisotopes ( 64 Cu, 89 Zr, 18 F, 68 Ga, 124 I, etc.) have been reported to radiolabel a wide variety of SiNPs-based nanostructures, including dense silica (dSiO 2 ), mesoporous silica (MSN), biodegradable mesoporous silica (bMSN), and hollow mesoporous silica nanoparticles (HMSN). With in-depth knowledge of coordination chemistry, abundant silanol groups (-Si-O-) on the silica surface or inside mesoporous channels not only can be directly used for chelator-free radiolabeling but also can be readily modified with the right chelators for chelator-based labeling. However, integrating these labeling strategies for constructing stably radiolabeled SiNPs with high efficiency has proven difficult because of the complexity of the involved key parameters, such as the choice of radioisotopes and chelators, nanostructures, and radiolabeling strategy. In this Account, we present an overview of recent progress in the development of radiolabeled SiNPs for cancer theranostics in the hope of speeding up their biomedical applications and potential translation into the clinic. We first introduce the basic principles and mechanisms for radiolabeling SiNPs via coordination chemistry, including general rules of selecting proper

The kINPen—a review on physics and chemistry of the atmospheric pressure plasma jet and its applications

NASA Astrophysics Data System (ADS)

Reuter, Stephan; von Woedtke, Thomas; Weltmann, Klaus-Dieter

2018-06-01

The kINPen® plasma jet was developed from laboratory prototype to commercially available non-equilibrium cold plasma jet for various applications in materials research, surface treatment and medicine. It has proven to be a valuable plasma source for industry as well as research and commercial use in plasma medicine, leading to very successful therapeutic results and its certification as a medical device. This topical review presents the different kINPen plasma sources available. Diagnostic techniques applied to the kINPen are introduced. The review summarizes the extensive studies of the physics and plasma chemistry of the kINPen performed by research groups across the world, and closes with a brief overview of the main application fields.

Mobilizing EPA's Comptox Chemistry Dashboard Data on Mobile Devices (ACS Spring Meeting)

EPA Science Inventory

The EPA’s National Center of Computational Toxicology (NCCT) Chemistry Dashboard provides access to chemistry data for about 720,000 chemical substances. The application is used to source, for example: physicochemical property data, bioassay screening data and functional use, and...

Chemical and radiation crosslinked polymer electrolyte membranes prepared from radiation-grafted ETFE films for DMFC applications

NASA Astrophysics Data System (ADS)

Chen, Jinhua; Asano, Masaharu; Yamaki, Tetsuya; Yoshida, Masaru

To develop a highly chemically stable polymer electrolyte membrane for application in a direct methanol fuel cell (DMFC), doubly crosslinked membranes were prepared by chemical crosslinking using bifunctional monomers, such as divinylbenzene (DVB) and bis(p, p-vinyl phenyl) ethane (BVPE), and by radiation crosslinking. The membranes were prepared by grafting of m, p-methylstyrene (MeSt) and p-tert-butylstyrene (tBuSt) into poly(ethylene- co-tetrafluoroethylene) (ETFE) films and subsequent sulfonation. The effects of the DVB and BVPE crosslinkers on the grafting kinetics and the properties of the prepared membranes, such as water uptake, proton conductivity and chemical stability were investigated. Radiation crosslinking was introduced by irradiation of the ETFE base film, the grafted film or the sulfonated membrane. The membrane crosslinked by DVB and BVPE crosslinkers and post-crosslinked by γ-ray irradiation of the corresponding grafted film possessed the highest chemical stability among the prepared membranes, a significantly lower methanol permeability compared to Nafion ® membranes, and a better DMFC performance for high methanol feed concentration. Therefore, this doubly crosslinked membrane was promising for application in a DMFC where relatively high methanol concentration could be fed.

Towards a Radiation Hardened Fluxgate Magnetometer for Space Physics Applications

NASA Astrophysics Data System (ADS)

Miles, David M.

Space-based measurements of the Earth's magnetic field are required to understand the plasma processes of the solar-terrestrial connection which energize the Van Allen radiation belts and cause space weather. This thesis describes a fluxgate magnetometer payload developed for the proposed Canadian Space Agencys Outer Radiation Belt Injection, Transport, Acceleration and Loss Satellite (ORBITALS) mission. The instrument can resolve 8 pT on a 65,000 nT field at 900 samples per second with a magnetic noise of less than 10 pT per square-root Hertz at 1 Hertz. The design can be manufactured from radiation tolerant (100 krad) space grade parts. A novel combination of analog temperature compensation and digital feedback simplifies and miniaturises the instrument while improving the measurement bandwidth and resolution. The prototype instrument was successfully validated at the Natural Resources Canada Geomagnetics Laboratory, and is being considered for future ground, satellite and sounding rocket applications.

An Environmental Chemistry Experiment: The Determination of Radon Levels in Water.

ERIC Educational Resources Information Center

Welch, Lawrence E.; Mossman, Daniel M.

1994-01-01

Describes a radiation experiment developed to complement a new environmental chemistry laboratory curriculum. A scintillation counter is used to measure radon in water. The procedure relies on the fact that toluene will preferentially extract radon from water. Sample preparation is complete in less than 90 minutes. Because the level of…

Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments

NASA Astrophysics Data System (ADS)

Sun, C.; Zheng, S.; Wei, C. C.; Wu, Y.; Shao, L.; Yang, Y.; Hartwig, K. T.; Maloy, S. A.; Zinkle, S. J.; Allen, T. R.; Wang, H.; Zhang, X.

2015-01-01

Nuclear energy provides more than 10% of electrical power internationally, and the increasing engagement of nuclear energy is essential to meet the rapid worldwide increase in energy demand. A paramount challenge in the development of advanced nuclear reactors is the discovery of advanced structural materials that can endure extreme environments, such as severe neutron irradiation damage at high temperatures. It has been known for decades that high dose radiation can introduce significant void swelling accompanied by precipitation in austenitic stainless steel (SS). Here we report, however, that through nanoengineering, ultra-fine grained (UFG) 304L SS with an average grain size of ~100 nm, can withstand Fe ion irradiation at 500°C to 80 displacements-per-atom (dpa) with moderate grain coarsening. Compared to coarse grained (CG) counterparts, swelling resistance of UFG SS is improved by nearly an order of magnitude and swelling rate is reduced by a factor of 5. M23C6 precipitates, abundant in irradiated CG SS, are largely absent in UFG SS. This study provides a nanoengineering approach to design and discover radiation tolerant metallic materials for applications in extreme radiation environments.

Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments

DOE PAGES

Sun, C.; Zheng, S.; Wei, C. C.; ...

2015-01-15

Nuclear energy provides more than 10% of electrical power internationally, and the increasing engagement of nuclear energy is essential to meet the rapid worldwide increase in energy demand. A paramount challenge in the development of advanced nuclear reactors is the discovery of advanced structural materials that can endure extreme environments, such as severe neutron irradiation damage at high temperatures. It has been known for decades that high dose radiation can introduce significant void swelling accompanied by precipitation in austenitic stainless steel (SS). Here we report, however, that through nanoengineering, ultra-fine grained (UFG) 304L SS with an average grain size ofmore » ~100 nm, can withstand Fe ion irradiation at 500°C to 80 displacements-per-atom (dpa) with moderate grain coarsening. Compared to coarse grained (CG) counterparts, swelling resistance of UFG SS is improved by nearly an order of magnitude and swelling rate is reduced by a factor of 5. M₂₃C₆ precipitates, abundant in irradiated CG SS, are largely absent in UFG SS. This study provides a nanoengineering approach to design and discover radiation tolerant metallic materials for applications in extreme radiation environments.« less

Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments.

PubMed

Sun, C; Zheng, S; Wei, C C; Wu, Y; Shao, L; Yang, Y; Hartwig, K T; Maloy, S A; Zinkle, S J; Allen, T R; Wang, H; Zhang, X

2015-01-15

Nuclear energy provides more than 10% of electrical power internationally, and the increasing engagement of nuclear energy is essential to meet the rapid worldwide increase in energy demand. A paramount challenge in the development of advanced nuclear reactors is the discovery of advanced structural materials that can endure extreme environments, such as severe neutron irradiation damage at high temperatures. It has been known for decades that high dose radiation can introduce significant void swelling accompanied by precipitation in austenitic stainless steel (SS). Here we report, however, that through nanoengineering, ultra-fine grained (UFG) 304 L SS with an average grain size of ~100 nm, can withstand Fe ion irradiation at 500 °C to 80 displacements-per-atom (dpa) with moderate grain coarsening. Compared to coarse grained (CG) counterparts, swelling resistance of UFG SS is improved by nearly an order of magnitude and swelling rate is reduced by a factor of 5. M(23)C(6) precipitates, abundant in irradiated CG SS, are largely absent in UFG SS. This study provides a nanoengineering approach to design and discover radiation tolerant metallic materials for applications in extreme radiation environments.

Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments

PubMed Central

Sun, C.; Zheng, S.; Wei, C. C.; Wu, Y.; Shao, L.; Yang, Y.; Hartwig, K. T.; Maloy, S. A.; Zinkle, S. J.; Allen, T. R.; Wang, H.; Zhang, X.

2015-01-01

Nuclear energy provides more than 10% of electrical power internationally, and the increasing engagement of nuclear energy is essential to meet the rapid worldwide increase in energy demand. A paramount challenge in the development of advanced nuclear reactors is the discovery of advanced structural materials that can endure extreme environments, such as severe neutron irradiation damage at high temperatures. It has been known for decades that high dose radiation can introduce significant void swelling accompanied by precipitation in austenitic stainless steel (SS). Here we report, however, that through nanoengineering, ultra-fine grained (UFG) 304L SS with an average grain size of ~100 nm, can withstand Fe ion irradiation at 500°C to 80 displacements-per-atom (dpa) with moderate grain coarsening. Compared to coarse grained (CG) counterparts, swelling resistance of UFG SS is improved by nearly an order of magnitude and swelling rate is reduced by a factor of 5. M23C6 precipitates, abundant in irradiated CG SS, are largely absent in UFG SS. This study provides a nanoengineering approach to design and discover radiation tolerant metallic materials for applications in extreme radiation environments. PMID:25588326

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

ERIC Educational Resources Information Center

Adami, Gianpiero

2006-01-01

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

X-ray absorption near-edge spectroscopy in bioinorganic chemistry: Application to M–O2 systems

PubMed Central

Sarangi, Ritimukta

2012-01-01

Metal K-edge X-ray absorption spectroscopy (XAS) has been extensively applied to bioinorganic chemistry to obtain geometric structure information on metalloprotein and biomimetic model complex active sites by analyzing the higher energy extended X-ray absorption fine structure (EXAFS) region of the spectrum. In recent years, focus has been on developing methodologies to interpret the lower energy K-pre-edge and rising-edge regions (XANES) and using it for electronic structure determination in complex bioinorganic systems. In this review, the evolution and progress of 3d-transition metal K-pre-edge and rising-edge methodology development is presented with particular focus on applications to bioinorganic systems. Applications to biomimetic transition metal–O2 intermediates (M = Fe, Co, Ni and Cu) are reviewed, which demonstrate the power of the method as an electronic structure determination technique and its impact in understanding the role of supporting ligands in tuning the electronic configuration of transition metal–O2 systems. PMID:23525635

Flow chemistry syntheses of natural products.

PubMed

Pastre, Julio C; Browne, Duncan L; Ley, Steven V

2013-12-07

The development and application of continuous flow chemistry methods for synthesis is a rapidly growing area of research. In particular, natural products provide demanding challenges to this developing technology. This review highlights successes in the area with an emphasis on new opportunities and technological advances.

Component-based integration of chemistry and optimization software.

PubMed

Kenny, Joseph P; Benson, Steven J; Alexeev, Yuri; Sarich, Jason; Janssen, Curtis L; McInnes, Lois Curfman; Krishnan, Manojkumar; Nieplocha, Jarek; Jurrus, Elizabeth; Fahlstrom, Carl; Windus, Theresa L

2004-11-15

Typical scientific software designs make rigid assumptions regarding programming language and data structures, frustrating software interoperability and scientific collaboration. Component-based software engineering is an emerging approach to managing the increasing complexity of scientific software. Component technology facilitates code interoperability and reuse. Through the adoption of methodology and tools developed by the Common Component Architecture Forum, we have developed a component architecture for molecular structure optimization. Using the NWChem and Massively Parallel Quantum Chemistry packages, we have produced chemistry components that provide capacity for energy and energy derivative evaluation. We have constructed geometry optimization applications by integrating the Toolkit for Advanced Optimization, Portable Extensible Toolkit for Scientific Computation, and Global Arrays packages, which provide optimization and linear algebra capabilities. We present a brief overview of the component development process and a description of abstract interfaces for chemical optimizations. The components conforming to these abstract interfaces allow the construction of applications using different chemistry and mathematics packages interchangeably. Initial numerical results for the component software demonstrate good performance, and highlight potential research enabled by this platform.

Light-emitting diodes for analytical chemistry.

PubMed

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

2014-01-01

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

Ontologies in medicinal chemistry: current status and future challenges.

PubMed

Gómez-Pérez, Asunción; Martínez-Romero, Marcos; Rodríguez-González, Alejandro; Vázquez, Guillermo; Vázquez-Naya, José M

2013-01-01

Recent years have seen a dramatic increase in the amount and availability of data in the diverse areas of medicinal chemistry, making it possible to achieve significant advances in fields such as the design, synthesis and biological evaluation of compounds. However, with this data explosion, the storage, management and analysis of available data to extract relevant information has become even a more complex task that offers challenging research issues to Artificial Intelligence (AI) scientists. Ontologies have emerged in AI as a key tool to formally represent and semantically organize aspects of the real world. Beyond glossaries or thesauri, ontologies facilitate communication between experts and allow the application of computational techniques to extract useful information from available data. In medicinal chemistry, multiple ontologies have been developed during the last years which contain knowledge about chemical compounds and processes of synthesis of pharmaceutical products. This article reviews the principal standards and ontologies in medicinal chemistry, analyzes their main applications and suggests future directions.

A radiation-hardened, computer for satellite applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaona, J.I. Jr.

1996-08-01

This paper describes high reliability radiation hardened computers built by Sandia for application aboard DOE satellite programs requiring 32 bit processing. The computers highlight a radiation hardened (10 kGy(Si)) R3000 executing up to 10 million reduced instruction set instructions (RISC) per second (MIPS), a dual purpose module control bus used for real-time default and power management which allows for extended mission operation on as little as 1.2 watts, and a local area network capable of 480 Mbits/s. The central processing unit (CPU) is the NASA Goddard R3000 nicknamed the ``Mongoose or Mongoose 1``. The Sandia Satellite Computer (SSC) uses Rational`smore » Ada compiler, debugger, operating system kernel, and enhanced floating point emulation library targeted at the Mongoose. The SSC gives Sandia the capability of processing complex types of spacecraft attitude determination and control algorithms and of modifying programmed control laws via ground command. And in general, SSC offers end users the ability to process data onboard the spacecraft that would normally have been sent to the ground which allows reconsideration of traditional space-grounded partitioning options.« less

Per-Olov Löwdin - father of quantum chemistry

NASA Astrophysics Data System (ADS)

Brändas, Erkki J.

2017-09-01

During 2016, we celebrate the 100th anniversary of the birth of Per-Olov Löwdin. He was appointed to the first Lehrstuhl in quantum chemistry at Uppsala University in 1960. Löwdin introduced quantum chemistry as a field in its own right by formulating its goals, establishing fundamental concepts, like the correlation energy, the method of configuration interaction, reduced density matrices, natural spin orbitals, charge and bond order matrices, symmetric orthogonalisation, and generalised self-consistent fields. His exposition of partitioning technique and perturbation theory, wave and reaction operators and associated non-linear summation techniques, introduced mathematical rigour and deductive order in the interpretative organisation of the new field. He brought the first computer to Uppsala University and pioneered the initiation of 'electronic brains' and anticipated their significance for quantum chemistry. Perhaps his single most influential contribution to the field was his education of two generations of future faculty in quantum chemistry through Summer Schools in the Scandinavian Mountains, Winter Institutes at Sanibel Island in the Gulf of Mexico. Per-Olov Löwdin founded the book series Advances in Quantum Chemistry and the International Journal of Quantum Chemistry. The evolution of quantum chemistry is appraised, starting from a collection of cross-disciplinary applications of quantum mechanics to the technologically advanced and predominant field of today, virtually used in all branches of chemistry. The scientific work of Per-Olov Löwdin has been crucial for the development of this new important province of science.

A Smart Superwetting Surface with Responsivity in Both Surface Chemistry and Microstructure.

PubMed

Zhang, Dongjie; Cheng, Zhongjun; Kang, Hongjun; Yu, Jianxin; Liu, Yuyan; Jiang, Lei

2018-03-26

Recently, smart surfaces with switchable wettability have aroused much attention. However, only single surface chemistry or the microstructure can be changed on these surfaces, which significantly limits their wetting performances, controllability, and applications. A new surface with both tunable surface microstructure and chemistry was prepared by grafting poly(N-isopropylacrylamide) onto the pillar-structured shape memory polymer on which multiple wetting states from superhydrophilicity to superhydrophobicity can be reversibly and precisely controlled by synergistically regulating the surface microstructure and chemistry. Meanwhile, based on the excellent controllability, we also showed the application of the surface as a rewritable platform, and various gradient wettings can be obtained. This work presents for the first time a surface with controllability in both surface chemistry and microstructure, which starts some new ideas for the design of novel superwetting materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Applications of the similarity relations in radiative transfer to remote sensing implementation and flux simulation

NASA Astrophysics Data System (ADS)

Yang, P.; Ding, J.; Tang, G.; King, M. D.; Platnick, S. E.; Meyer, K.; Mlawer, E. J.

2017-12-01

Van de Hulst (1974) showed several quasi-invariant quantities in radiative transfer concerning multiple scattering. Recently, we illustrated that the aforesaid quasi-invariant quantities are useful in remote sensing of ice cloud properties from spaceborne radiometric observations (Ding et al. 2017). Specifically, the overall performance of an ice cloud optical property model can be estimated without carrying out detailed retrieval implementation. In this presentation, we will review the radiative transfer similarity relations and some recent results including the study by Ding et al. (2017). Furthermore, we will illustrate an application of the similarity relations to improvement of broadband radiative flux computation. For example, the Rapid Radiative Transfer Model (RRTM, Mlawer et al, 1999) does not consider multiple scattering in the longwave spectral regime (RRTMG-LW) ("G" indicates a version suitable for GCM applications). We show that the similarity relations can be used to effectively improve the accuracy of RRTMG-LW without increasing computational effort.

WORK SAFETY CONDITIONS WITH CLOSED RADIATION SOURCES (in Polish)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brosziewicz, R.

1963-01-01

A discussion is presented of principles of radiological protection observed in the Radiation Chemistry Dept. of the Nuclear Research Inst., during operation of large sources of ionizing radiation. It has been revealed that a properly designed servicing system of these sources ensures full protection of personnel even with not fully protected sources. (auth)

Simultaneous assessment of phase chemistry, phase abundance and bulk chemistry with statistical electron probe micro-analyses: Application to cement clinkers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilson, William; Krakowiak, Konrad J.; Ulm, Franz-Josef, E-mail: ulm@mit.edu

2014-01-15

According to recent developments in cement clinker engineering, the optimization of chemical substitutions in the main clinker phases offers a promising approach to improve both reactivity and grindability of clinkers. Thus, monitoring the chemistry of the phases may become part of the quality control at the cement plants, along with the usual measurements of the abundance of the mineralogical phases (quantitative X-ray diffraction) and the bulk chemistry (X-ray fluorescence). This paper presents a new method to assess these three complementary quantities with a single experiment. The method is based on electron microprobe spot analyses, performed over a grid located onmore » a representative surface of the sample and interpreted with advanced statistical tools. This paper describes the method and the experimental program performed on industrial clinkers to establish the accuracy in comparison to conventional methods. -- Highlights: •A new method of clinker characterization •Combination of electron probe technique with cluster analysis •Simultaneous assessment of phase abundance, composition and bulk chemistry •Experimental validation performed on industrial clinkers.« less

Application of an Informatics-Based Decision-Making Framework and Process to the Assessment of Radiation Safety in Nanotechnology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoover, Mark D.; Myers, David S.; Cash, Leigh J.

The National Council on Radiation Protection and Measurements (NCRP) has established NCRP Scientific Committee 2-6 to develop a report on the current state of knowledge and guidance for radiation safety programs involved with nanotechnology. Nanotechnology is the understanding and control of matter at the nanoscale, at dimensions between approximately 1 and 100 nanometers, where unique phenomena enable novel applications. While the full report is in preparation, this article presents and applies an informatics-based decision-making framework and process through which the radiation protection community can anticipate that nano-enabled applications, processes, nanomaterials, and nanoparticles are likely to become present or are alreadymore » present in radiation-related activities; recognize specific situations where environmental and worker safety, health, well-being, and productivity may be affected by nano-related activities; evaluate how radiation protection practices may need to be altered to improve protection; control information, interpretations, assumptions, and conclusions to implement scientifically sound decisions and actions; and confirm that desired protection outcomes have been achieved. This generally applicable framework and supporting process can be continuously applied to achieve health and safety at the convergence of nanotechnology and radiation-related activities.« less

Application of an informatics-based decision-making framework and process to the assessment of radiation safety in nanotechnology.

PubMed

Hoover, Mark D; Myers, David S; Cash, Leigh J; Guilmette, Raymond A; Kreyling, Wolfgang G; Oberdörster, Günter; Smith, Rachel; Cassata, James R; Boecker, Bruce B; Grissom, Michael P

2015-02-01

The National Council on Radiation Protection and Measurements (NCRP) established NCRP Scientific Committee 2-6 to develop a report on the current state of knowledge and guidance for radiation safety programs involved with nanotechnology. Nanotechnology is the understanding and control of matter at the nanoscale, at dimensions between ∼1 and 100 nm, where unique phenomena enable novel applications. While the full report is in preparation, this paper presents and applies an informatics-based decision-making framework and process through which the radiation protection community can anticipate that nano-enabled applications, processes, nanomaterials, and nanoparticles are likely to become present or are already present in radiation-related activities; recognize specific situations where environmental and worker safety, health, well-being, and productivity may be affected by nano-related activities; evaluate how radiation protection practices may need to be altered to improve protection; control information, interpretations, assumptions, and conclusions to implement scientifically sound decisions and actions; and confirm that desired protection outcomes have been achieved. This generally applicable framework and supporting process can be continuously applied to achieve health and safety at the convergence of nanotechnology and radiation-related activities.

Application of an Informatics-Based Decision-Making Framework and Process to the Assessment of Radiation Safety in Nanotechnology

DOE PAGES

Hoover, Mark D.; Myers, David S.; Cash, Leigh J.; ...

2015-01-01

The National Council on Radiation Protection and Measurements (NCRP) has established NCRP Scientific Committee 2-6 to develop a report on the current state of knowledge and guidance for radiation safety programs involved with nanotechnology. Nanotechnology is the understanding and control of matter at the nanoscale, at dimensions between approximately 1 and 100 nanometers, where unique phenomena enable novel applications. While the full report is in preparation, this article presents and applies an informatics-based decision-making framework and process through which the radiation protection community can anticipate that nano-enabled applications, processes, nanomaterials, and nanoparticles are likely to become present or are alreadymore » present in radiation-related activities; recognize specific situations where environmental and worker safety, health, well-being, and productivity may be affected by nano-related activities; evaluate how radiation protection practices may need to be altered to improve protection; control information, interpretations, assumptions, and conclusions to implement scientifically sound decisions and actions; and confirm that desired protection outcomes have been achieved. This generally applicable framework and supporting process can be continuously applied to achieve health and safety at the convergence of nanotechnology and radiation-related activities.« less

Femtosecond Beam Sources and Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Uesaka, Mitsuru

2004-12-07

Short particle beam science has been promoted by electron linac and radiation chemistry up to picoseconds. Recently, table-top TW laser enables several kinds of short particle beams and pump-and-probe analyses. 4th generation SR sources aim to generation and application of about 100 fs X-ray. Thus, femtosecond beam science has become one of the important field in advanced accelerator concepts. By using electron linac with photoinjector, about 200 fs single bunch and 3 fs multi-bunches are available. Tens femtoseconds monoenergetic electron bunch is expected by laser plasma cathode. Concerning the electron bunch diagnosis, we have seen remarkable progress in streak camera,more » coherent radiation spectroscopy, fluctuation method and E/O crystal method. Picosecond time-resolved pump-and-probe analysis by synchronizing electron linac and laser is now possible, but the timing jitter and drift due to several fluctuations in electronic devices and environment are still in picoseconds. On the other hand, the synchronization between laser and secondary beam is done passively by an optical beam-splitter in the system based on one TW laser. Therefore, the timing jitter and drift do not intrinsically exist there. The author believes that the femtosecond time-resolved pump-and-probe analysis must be initiated by the laser plasma beam sources. As to the applications, picosecond time-resolved system by electron photoinjector/linac and femtosecond laser are operating in more than 5 facilities for radiation chemistry in the world. Ti:Sapphire-laser-based repetitive pump-and-probe analysis started by time-resolved X-ray diffraction to visualize the atomic motion. Nd:Glass-laser-based single-shot analysis was performed to visualize the laser ablation via the single-shot ion imaging. The author expects that protein dynamics and ultrafast nuclear physics would be the next interesting targets. Monograph titled 'Femtosecond Beam Science' is published by Imperial College Press

MIANN models in medicinal, physical and organic chemistry.

PubMed

González-Díaz, Humberto; Arrasate, Sonia; Sotomayor, Nuria; Lete, Esther; Munteanu, Cristian R; Pazos, Alejandro; Besada-Porto, Lina; Ruso, Juan M

2013-01-01

Reducing costs in terms of time, animal sacrifice, and material resources with computational methods has become a promising goal in Medicinal, Biological, Physical and Organic Chemistry. There are many computational techniques that can be used in this sense. In any case, almost all these methods focus on few fundamental aspects including: type (1) methods to quantify the molecular structure, type (2) methods to link the structure with the biological activity, and others. In particular, MARCH-INSIDE (MI), acronym for Markov Chain Invariants for Networks Simulation and Design, is a well-known method for QSAR analysis useful in step (1). In addition, the bio-inspired Artificial-Intelligence (AI) algorithms called Artificial Neural Networks (ANNs) are among the most powerful type (2) methods. We can combine MI with ANNs in order to seek QSAR models, a strategy which is called herein MIANN (MI & ANN models). One of the first applications of the MIANN strategy was in the development of new QSAR models for drug discovery. MIANN strategy has been expanded to the QSAR study of proteins, protein-drug interactions, and protein-protein interaction networks. In this paper, we review for the first time many interesting aspects of the MIANN strategy including theoretical basis, implementation in web servers, and examples of applications in Medicinal and Biological chemistry. We also report new applications of the MIANN strategy in Medicinal chemistry and the first examples in Physical and Organic Chemistry, as well. In so doing, we developed new MIANN models for several self-assembly physicochemical properties of surfactants and large reaction networks in organic synthesis. In some of the new examples we also present experimental results which were not published up to date.

Radiation transport calculations for cosmic radiation.

PubMed

Endo, A; Sato, T

2012-01-01

The radiation environment inside and near spacecraft consists of various components of primary radiation in space and secondary radiation produced by the interaction of the primary radiation with the walls and equipment of the spacecraft. Radiation fields inside astronauts are different from those outside them, because of the body's self-shielding as well as the nuclear fragmentation reactions occurring in the human body. Several computer codes have been developed to simulate the physical processes of the coupled transport of protons, high-charge and high-energy nuclei, and the secondary radiation produced in atomic and nuclear collision processes in matter. These computer codes have been used in various space radiation protection applications: shielding design for spacecraft and planetary habitats, simulation of instrument and detector responses, analysis of absorbed doses and quality factors in organs and tissues, and study of biological effects. This paper focuses on the methods and computer codes used for radiation transport calculations on cosmic radiation, and their application to the analysis of radiation fields inside spacecraft, evaluation of organ doses in the human body, and calculation of dose conversion coefficients using the reference phantoms defined in ICRP Publication 110. Copyright © 2012. Published by Elsevier Ltd.

Forensic Chemistry

NASA Astrophysics Data System (ADS)

Bell, Suzanne

2009-07-01

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

Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree-Fock.

PubMed

Tamayo-Mendoza, Teresa; Kreisbeck, Christoph; Lindh, Roland; Aspuru-Guzik, Alán

2018-05-23

Automatic differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, without the need to explicitly add any additional functions. Thus, AD has great potential in quantum chemistry, where gradients are omnipresent but also difficult to obtain, and researchers typically spend a considerable amount of time finding suitable analytical forms when implementing derivatives. Here, we demonstrate that AD can be used to compute gradients with respect to any parameter throughout a complete quantum chemistry method. We present DiffiQult , a Hartree-Fock implementation, entirely differentiated with the use of AD tools. DiffiQult is a software package written in plain Python with minimal deviation from standard code which illustrates the capability of AD to save human effort and time in implementations of exact gradients in quantum chemistry. We leverage the obtained gradients to optimize the parameters of one-particle basis sets in the context of the floating Gaussian framework.

Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree–Fock

PubMed Central

2018-01-01

Automatic differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, without the need to explicitly add any additional functions. Thus, AD has great potential in quantum chemistry, where gradients are omnipresent but also difficult to obtain, and researchers typically spend a considerable amount of time finding suitable analytical forms when implementing derivatives. Here, we demonstrate that AD can be used to compute gradients with respect to any parameter throughout a complete quantum chemistry method. We present DiffiQult, a Hartree–Fock implementation, entirely differentiated with the use of AD tools. DiffiQult is a software package written in plain Python with minimal deviation from standard code which illustrates the capability of AD to save human effort and time in implementations of exact gradients in quantum chemistry. We leverage the obtained gradients to optimize the parameters of one-particle basis sets in the context of the floating Gaussian framework.

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

ERIC Educational Resources Information Center

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

2010-01-01

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

Medical Applications of Synchrotron Radiation

NASA Astrophysics Data System (ADS)

Prezado, Yolanda; Martínez-Rovira, Immaculada

This chapter describes the state-of-art of synchrotron radiation therapies in the treatment of radioresistant tumors. The tolerance of the surrounding healthy tissue severely limits the achievement of a curative treatment for some brain tumors, like gliomas. This restriction is especially important in children, due to the high risk of complications in the development of the central nervous system. In addition, the treatment of tumors close to an organ at risk, like the spinal cord, is also restrained. One possible solution is the development of new radiotherapy techniques would exploit radically different irradiation modes, as it is the case of synchrotron radiotherapies. Their distinct features allow to modify the biological equivalent doses. In this chapter the three new approaches under development at the European Synchrotron Radiation Facility (ESRF), in Grenoble (France), will be described, namely: stereotactic synchrotron radiation therapy, microbeam radiation therapy and minibeam radiation therapy. The promising results obtained in the treatment of high grade brain tumors in preclinical studies have paved the way to the forthcoming clinical trials, currently in preparation.

Green chemistry: development trajectory

NASA Astrophysics Data System (ADS)

Moiseev, I. I.

2013-07-01

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.

Surface chemistry: Key to control and advance myriad technologies

PubMed Central

Yates, John T.; Campbell, Charles T.

2011-01-01

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

EFFECT OF BIOSOLIDS APPLICATION ON SOIL METAL CHEMISTRY AND PHYTOAVAILABILITY

EPA Science Inventory

Addition of biosolids to soils increases the environmental loading of toxic metals (Cd, Zn, Cu, Ni, Pb, etc.) and alters the chemistry and phytoavailability of these metals. This alteration in phytoavailability associated with biosolids amended soil was recognized and utilized ...

[The application of low-intensity electromagnetic radiation under immobilization stress conditions (an experimental study)].

PubMed

Korolev, Iu N; Bobrovnitskiĭ, I P; Nikoulina, L A; Mikhaĭlik, L V; Geniatulina, M S; Bobkova, A S

2014-01-01

The experiments carried out on outbred male white rats with the use of optical, electron-microscopic, biochemical, and radioimmunological methods have demonstrated that the application of low-intensity electromagnetic radiation (LI-EMR) with a flow density of 1 mcW/cm2 and a frequency of around 1,000 MHz both in the primary prophylaxis regime and as the therapeuticpreventive modality arrested the development of post-stress disorders in the rat testicles, liver, and thymus; moreover, it promoted activation of the adaptive, preventive, and compensatory processes. The data obtained provide a rationale for the application of low-intensity electromagnetic radiation to protect the organism from negative effects of stressful factors.

Ionizing radiation-induced acoustics for radiotherapy and diagnostic radiology applications.

PubMed

Hickling, Susannah; Xiang, Liangzhong; Jones, Kevin C; Parodi, Katia; Assmann, Walter; Avery, Stephen; Hobson, Maritza; El Naqa, Issam

2018-04-21

Acoustic waves are induced via the thermoacoustic effect in objects exposed to a pulsed beam of ionizing radiation. This phenomenon has interesting potential applications in both radiotherapy dosimetry and treatment guidance as well as low dose radiological imaging. After initial work in the field in the 1980s and early 1990s, little research was done until 2013 when interest was rejuvenated, spurred on by technological advances in ultrasound transducers and the increasing complexity of radiotherapy delivery systems. Since then, many studies have been conducted and published applying ionizing radiation-induced acoustic principles into three primary research areas: Linear accelerator photon beam dosimetry, proton therapy range verification, and radiological imaging. This review article introduces the theoretical background behind ionizing radiation-induced acoustic waves, summarizes recent advances in the field, and provides an outlook on how the detection of ionizing radiation-induced acoustic waves can be used for relative and in vivo dosimetry in photon therapy, localization of the Bragg peak in proton therapy, and as a low-dose medical imaging modality. Future prospects and challenges for clinical implementation of these techniques are discussed. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Fiber-optic thermometer application of thermal radiation from rare-earth end-doped SiO{sub 2} fiber

DOE Office of Scientific and Technical Information (OSTI.GOV)

Katsumata, Toru, E-mail: katsumat@toyo.jp; Morita, Kentaro; Komuro, Shuji

2014-08-15

Visible light thermal radiation from SiO{sub 2} glass doped with Y, La, Ce, Pr, Nd, Eu, Tb, Dy, Ho, Er, Tm, Yb, and Lu were studied for the fiber-optic thermometer application based on the temperature dependence of thermal radiation. Thermal radiations according to Planck's law of radiation are observed from the SiO{sub 2} fibers doped with Y, La, Ce, Pr, Eu, Tb, and Lu at the temperature above 1100 K. Thermal radiations due to f-f transitions of rare-earth ions are observed from the SiO{sub 2} fibers doped with Nd, Dy, Ho, Er, Tm, and Yb at the temperature above 900more » K. Peak intensities of thermal radiations from rare-earth doped SiO{sub 2} fibers increase sensitively with temperature. Thermal activation energies of thermal radiations by f-f transitions seen in Nd, Dy, Ho, Er, Tm, and Yb doped SiO{sub 2} fibers are smaller than those from SiO{sub 2} fibers doped with Y, La, Ce, Pr, Eu, Tb, and Lu. Thermal radiation due to highly efficient f-f transitions in Nd, Dy, Ho, Er, Tm, and Yb ions emits more easily than usual thermal radiation process. Thermal radiations from rare-earth doped SiO{sub 2} are potentially applicable for the fiber-optic thermometry above 900 K.« less

Physical Processes and Applications of the Monte Carlo Radiative Energy Deposition (MRED) Code

NASA Astrophysics Data System (ADS)

Reed, Robert A.; Weller, Robert A.; Mendenhall, Marcus H.; Fleetwood, Daniel M.; Warren, Kevin M.; Sierawski, Brian D.; King, Michael P.; Schrimpf, Ronald D.; Auden, Elizabeth C.

2015-08-01

MRED is a Python-language scriptable computer application that simulates radiation transport. It is the computational engine for the on-line tool CRÈME-MC. MRED is based on c++ code from Geant4 with additional Fortran components to simulate electron transport and nuclear reactions with high precision. We provide a detailed description of the structure of MRED and the implementation of the simulation of physical processes used to simulate radiation effects in electronic devices and circuits. Extensive discussion and references are provided that illustrate the validation of models used to implement specific simulations of relevant physical processes. Several applications of MRED are summarized that demonstrate its ability to predict and describe basic physical phenomena associated with irradiation of electronic circuits and devices. These include effects from single particle radiation (including both direct ionization and indirect ionization effects), dose enhancement effects, and displacement damage effects. MRED simulations have also helped to identify new single event upset mechanisms not previously observed by experiment, but since confirmed, including upsets due to muons and energetic electrons.

CURRENT STATUS OF APPLICATIONS IN THE PASTEURIZATION OF STERILIZATION OF FOODS BY IONIZING RADIATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kraybill, H.F.

1960-04-01

A comprehensive research and development program on radiation preservation of foods has revealed some products having potential for early commercialization. Radiation sterilization of some meats, especially beef, has been somewhat disappointing. Other items such as chicken, fish, and pork products show promise as completely sterile products. Surveys of the food industry have been made on these items but lack of a competitive position. radiation processing costs higher than thermal processing, and lack of Food & Drug clearance at this time have held up an immediate commercial advance in this area. Radiopasteurization currently, however, offers raore promise since effect on qualitymore » (flavor, texture. and color) is not encountered and processing cost now approaches that of conventional processing methods. Extension of shelf life, by radiopasteurization of fish, chicken, pork, and beef, is ready for industry- wide exploitation when Food & Drug clearance is provided. Elimination of parasites in meat by very-low dose treatment such as trichina in perk and tapeworm in beef has current interest in industry and may be the first industrial application. The wholesomeness clearance studies are progressing successfully with no evidence that would indicate any toxicity prevailing from eating irradiated foods in tests on animals and man. The ultimate development of " ionizing radiation centers" will advance radiation applications in the food industry since appraisal of performance and costs can be more satisfactorily made than in laboratory projects. Reduction in costs of gamma radiation sources should also hold much promise for a preferential competitive position for low- dose radiation treatment of meats, fruits, and vegetables. The unique opportunities afforded by radiation processing of foods in underdeveloped countries for reduction in food spoilage and waste and elimination of food poisoning are of current and immediate importance. (auth)« less

Teaching Green Chemistry with Epoxidized Soybean Oil

ERIC Educational Resources Information Center

Barcena, Homar; Tuachi, Abraham; Zhang, Yuanzhuo

2017-01-01

The synthesis of epoxidized soybean oil (ESO) provides students a vantage point on the application of green chemistry principles in a series of experiments. Qualitative tests review the reactions of alkenes, whereas spectroscopic analyses provide insight in monitoring functional group transformations.

Starch: chemistry, microstructure, processing and enzymatic degradation

USDA-ARS?s Scientific Manuscript database

Starch is recognized as one of the most abundant and important commodities containing value added attributes for a vast number of industrial applications. Its chemistry, structure, property and susceptibility to various chemical, physical and enzymatic modifications offer a high technological value ...

Applications for Near-Real Time Satellite Cloud and Radiation Products

NASA Technical Reports Server (NTRS)

Minnis, Patrick; Palikonda, Rabindra; Chee, Thad L.; Bedka, Kristopher M.; Smith, W.; Ayers, Jeffrey K.; Benjamin, Stanley; Chang, F.-L.; Nguyen, Louis; Norris, Peter;

Chemistry Notes.

ERIC Educational Resources Information Center

School Science Review, 1982

1982-01-01

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

Clinical chemistry through Clinical Chemistry: a journal timeline.

PubMed

Rej, Robert

2004-12-01

The establishment of the modern discipline of clinical chemistry was concurrent with the foundation of the journal Clinical Chemistry and that of the American Association for Clinical Chemistry in the late 1940s and early 1950s. To mark the 50th volume of this Journal, I chronicle and highlight scientific milestones, and those within the discipline, as documented in the pages of Clinical Chemistry. Amazing progress has been made in the field of laboratory diagnostics over these five decades, in many cases paralleling-as well as being bolstered by-the rapid pace in the development of computer technologies. Specific areas of laboratory medicine particularly well represented in Clinical Chemistry include lipids, endocrinology, protein markers, quality of laboratory measurements, molecular diagnostics, and general advances in methodology and instrumentation.

Radiation Tolerant Interfaces: Influence of Local Stoichiometry at the Misfit Dislocation on Radiation Damage Resistance of Metal/Oxide Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shutthanandan, Vaithiyalingam; Choudhury, Samrat; Manandhar, Sandeep

To understand how variations in interface properties such as misfit-dislocation density and local chemistry affect radiation-induced defect absorption and recombination, we have explored a model system of CrxV1-x alloy epitaxial films deposited on MgO single crystals. By controlling film composition, the lattice mismatch with MgO was adjusted so that the misfit-dislocation density varies at the interface. These interfaces were exposed to irradiation and in situ results show that the film with a semi-coherent interface (Cr) withstands irradiation while V film, which has similar semi-coherent interface like Cr, showed the largest damage. Theoretical calculations indicate that, unlike at metal/metal interfaces, themore » misfit dislocation density does not dominate radiation damage tolerance at metal/oxide interfaces. Rather, the stoichiometry, and the precise location of the misfit-dislocation density relative to the interface, drives defect behavior. Together, these results demonstrate the sensitivity of defect recombination to interfacial chemistry and provide new avenues for engineering radiation-tolerant nanomaterials.« less

Solvents and sustainable chemistry

PubMed Central

Welton, Tom

2015-01-01

Solvents are widely recognized to be of great environmental concern. The reduction of their use is one of the most important aims of green chemistry. In addition to this, the appropriate selection of solvent for a process can greatly improve the sustainability of a chemical production process. There has also been extensive research into the application of so-called green solvents, such as ionic liquids and supercritical fluids. However, most examples of solvent technologies that give improved sustainability come from the application of well-established solvents. It is also apparent that the successful implementation of environmentally sustainable processes must be accompanied by improvements in commercial performance. PMID:26730217

DanceChemistry: Helping Students Visualize Chemistry Concepts through Dance Videos

ERIC Educational Resources Information Center

Tay, Gidget C.; Edwards, Kimberly D.

2015-01-01

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…

Comparison of multiple atmospheric chemistry schemes in C-IFS

NASA Astrophysics Data System (ADS)

Flemming, Johannes; Huijnen, Vincent; Arteta, Joaquim; Stein, Olaf; Inness, Antje; Josse, Beatrice; Schultz, Martin; Peuch, Vincent-Henri

2013-04-01

As part of the MACCII -project (EU-FP7) ECMWF's integrated forecast system (IFS) is being extended by modules for chemistry, deposition and emission of reactive gases. This integration of the chemistry complements the integration of aerosol processes in IFS (Composition-IFS). C-IFS provides global forecasts and analysis of atmospheric composition. Its main motivation is to utilize the IFS for the assimilation of satellite observation of atmospheric composition. Furthermore, the integration of chemistry packages directly into IFS will achieve better consistency in terms of the treatment of physical processes and has the potential for simulating interactions between atmospheric composition and meteorology. Atmospheric chemistry in C-IFS can be represented by the modified CB05 scheme as implemented in the TM5 model and the RACMOBUS scheme as implemented in the MOCAGE model. An implementation of the scheme of the MOZART 3.5 model is ongoing. We will present the latest progress in the development and application of C-IFS. We will focus on the comparison of the different chemistry schemes in an otherwise identical C-IFS model setup (emissions, meteorology) as well as in their original Chemistry and Transport Model setup.

[Applications of electromagnetic radiation in medicine].

PubMed

Miłowska, Katarzyna; Grabowska, Katarzyna; Gabryelak, Teresa

2014-05-08

Recent decades have been devoted to the intense search for the response to questions related to the impact of radiation on the human body. Due to the growing fashion for a healthy lifestyle, increasing numbers of works about the alleged dangers of electromagnetic waves and diseases that they cause appeared. However, the discoveries of 20th century, and knowledge of the properties of electromagnetic radiation have allowed to broaden the horizons of the use of artificial sources of radiation in many fields of science and especially in medicine. The aim of this paper is to show that although excessive radiation or high doses are dangerous to the human body, its careful and controlled use, does not pose a threat, and it is often necessary in therapy. The possibility of using ionizing radiation in radiotherapy, isotope diagnostics or medical imaging, and non-ionizing radiation in the treatment for dermatological disorders and cancers will be presented. The unique properties of synchrotron radiation result in using it on a large scale in the diagnosis of pathological states by imaging methods.

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

NASA Astrophysics Data System (ADS)

Turi, László

2016-04-01

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turi, László, E-mail: turi@chem.elte.hu

2016-04-21

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions withmore » n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.« less

The Application of Computational Chemistry to Problems in Mass Spectrometry

EPA Science Inventory

Quantum chemistry is capable of calculating a wide range of electronic and thermodynamic properties of interest to a chemist or physicist. Calculations can be used both to predict the results of future experiments and to aid in the interpretation of existing results. This paper w...

Plasma chemistry and organic synthesis

NASA Technical Reports Server (NTRS)

Tezuka, M.

1980-01-01

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.

Rapid response radiation sensors for homeland security applications

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Sanjoy; Maurer, Richard; Guss, Paul

2014-09-01

The National Security Technologies, LLC, Remote Sensing Laboratory is developing a rapid response radiation detection system for homeland security field applications. The intelligence-driven system is deployed only when non-radiological information about the target is verifiable. The survey area is often limited, so the detection range is small; in most cases covering a distance of 10 meters or less suffices. Definitive response is required in no more than 3 seconds and should minimize false negative alarms, but can err on the side of positive false alarms. The detection system is rapidly reconfigurable in terms of size, shape, and outer appearance; it is a plug-and-play system. Multiple radiation detection components (viz., two or more sodium iodide scintillators) are used to independently "over-determine" the existence of the threat object. Rapid response electronic dose rate meters are also included in the equipment suite. Carefully studied threat signatures are the basis of the decision making. The use of Rad-Detect predictive modeling provides information on the nature of the threat object. Rad-Detect provides accurate dose rate from heavily shielded large sources; for example those lost in Mexico were Category 1 radiation sources (~3,000 Ci of 60Co), the most dangerous of five categories defined by the International Atomic Energy Agency. Taken out of their shielding containers, Category 1 sources can kill anyone who is exposed to them at close range for a few minutes to an hour. Whenever possible sub-second data acquisition will be attempted, and, when deployed, the system will be characterized for false alarm rates. Although the radiation detection materials selected are fast (viz., faster scintillators), their speed is secondary to sensitivity, which is of primary importance. Results from these efforts will be discussed and demonstrated.

Tailoring Meridional and Seasonal Radiative Forcing by Sulfate Aerosol Solar Geoengineering

NASA Astrophysics Data System (ADS)

Dai, Z.; Weisenstein, D. K.; Keith, D. W.

2018-01-01

We study the possibility of designing solar radiation management schemes to achieve a desired meridional radiative forcing (RF) profile using a two-dimensional chemistry-transport-aerosol model. Varying SO2 or H2SO4 injection latitude, altitude, and season, we compute RF response functions for a broad range of possible injection schemes, finding that linear combinations of these injection cases can roughly achieve RF profiles that have been proposed to accomplish various climate objectives. Globally averaged RF normalized by the sulfur injection rate (the radiative efficacy) is largest for injections at high altitudes, near the equator, and using emission of H2SO4 vapor into an aircraft wake to produce accumulation-mode particles. There is a trade-off between radiative efficacy and control as temporal and spatial control is best achieved with injections at lower altitudes and higher latitudes. These results may inform studies using more realistic models that couple aerosol microphysics, chemistry, and stratospheric dynamics.

Chemistry in microstructured reactors.

PubMed

Jähnisch, Klaus; Hessel, Volker; Löwe, Holger; Baerns, Manfred

2004-01-16

The application of microstructured reactors in the chemical process industry has gained significant importance in recent years. Companies that offer not only microstructured reactors, but also entire chemical process plants and services relating to them, are already in existence. In addition, many institutes and universities are active within this field, and process-engineering-oriented reviews and a specialized book are available. Microstructured systems can be applied with particular success in the investigation of highly exothermic and fast reactions. Often the presence of temperature-induced side reactions can be significantly reduced through isothermal operations. Although microstructured reaction techniques have been shown to optimize many synthetic procedures, they have not yet received the attention they deserve in organic chemistry. For this reason, this Review aims to address this by providing an overview of the chemistry in microstructured reactors, grouped into liquid-phase, gas-phase, and gas-liquid reactions.

Magnetic ionic liquids in analytical chemistry: A review.

PubMed

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

2016-08-31

Magnetic ionic liquids (MILs) have recently generated a cascade of innovative applications in numerous areas of analytical chemistry. By incorporating a paramagnetic component within the cation or anion, MILs exhibit a strong response toward external magnetic fields. Careful design of the MIL structure has yielded magnetoactive compounds with unique physicochemical properties including high magnetic moments, enhanced hydrophobicity, and the ability to solvate a broad range of molecules. The structural tunability and paramagnetic properties of MILs have enabled magnet-based technologies that can easily be added to the analytical method workflow, complement needed extraction requirements, or target specific analytes. This review highlights the application of MILs in analytical chemistry and examines the important structural features of MILs that largely influence their physicochemical and magnetic properties. Copyright © 2016 Elsevier B.V. All rights reserved.

Integrity of the National Resident Matching Program for Radiation Oncology: National Survey of Applicant Experiences

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holliday, Emma B.; Thomas, Charles R., E-mail: thomasch@ohsu.edu; Kusano, Aaron S.

Purpose: The aim of this study was to examine the experiences of radiation oncology applicants and to evaluate the prevalence of behaviors that may be in conflict with established ethical standards. Methods and Materials: An anonymous survey was sent to all 2013 applicants to a single domestic radiation oncology residency program through the National Resident Matching Program (NRMP). Questions included demographics, survey of observed behaviors, and opinions regarding the interview and matching process. Descriptive statistics were presented. Characteristics and experiences of respondents who matched were compared with those who did not match. Results: Questionnaires were returned by 87 of 171more » applicants for a 51% response rate. Eighty-two questionnaires were complete and included for analysis. Seventy-eight respondents (95.1%) reported being asked at least 1 question in conflict with the NRMP code of conduct. When asked where else they were interviewing, 64% stated that this query made them uncomfortable. Forty-five respondents (54.9%) reported unsolicited post-interview contact by programs, and 31 (37.8%) felt pressured to give assurances. Fifteen respondents (18.3%) reported being told their rank position or that they were “ranked to match” prior to Match day, with 27% of those individuals indicating this information influenced how they ranked programs. Half of respondents felt applicants often made dishonest or misleading assurances, one-third reported that they believed their desired match outcome could be improved by deliberately misleading programs, and more than two-thirds felt their rank position could be improved by having faculty from their home institutions directly contact programs on their behalf. Conclusions: Radiation oncology applicants report a high prevalence of behaviors in conflict with written NRMP policies. Post-interview communication should be discouraged in order to enhance fairness and support the professional development of

Presidential Green Chemistry Challenge: 2007 Designing Greener Chemicals Award

EPA Pesticide Factsheets

Presidential Green Chemistry Challenge 2007 award winner, Cargill, developed biobased polyols for polyurethane applications, including flexible foams. Cargill makes BiOH polyols from vegetable oils, not petroleum products.

Ionic Liquid-Like Pharmaceutical Ingredients and Applications of Ionic Liquids in Medicinal Chemistry: Development, Status and Prospects.

PubMed

Tang, Jie; Song, Hang; Feng, Xueting; Yohannes, Alula; Yao, Shun

2018-06-05

As a new kind of green media and bioactive compounds with special structure, ionic liquids (ILs) are attracting much attention and applied widely in many fields. However, their roles and potential have not been fully recognized by many researchers of medicinal chemistry. Because of obvious differences from other traditional drugs and reagents, their uses and performance together with advantages and disadvantages need to be explored and reviewed in detail. For systematic and explicit description of the relationship between ILs and medicinal chemistry, all of the contents were elucidated and summarized in a series of independent parts. In each part, it started from the research background or a conceptual framework and then specific examples were introduced to illustrate the theme. Finally, the important conclusions were drawn and its future was outlooked after the discussion about related key problems appearing in each mentioned research. Meanwhile, methodologies such as empirical analysis, comparison and induction were applied in different sections to exposit our subject. The whole review was composed of five parts, and 148 papers were cited in total. Related basic information of ionic liquids was provided on the basis of representative references, including their concepts and important characters. Then 82 papers outlined ionic liquid-like active pharmaceutical ingredients, which unfolded with their major biological activities (antimicrobial activity, antibiofilm activity, antitumor activity, anticholinesterase activity and so on). Applications of ionic liquids in synthesis of drugs and pharmaceutical intermediates were elaborated in 92 papers to illustrate the important roles of ILs and their extraordinary properties in this field. Moreover, new technologies (such as immobilization of IL, microwave reaction, solvent-free synthesis, microreactor, etc) were introduced for further innovation. Finally, 26 papers were included to expound the status about the IL

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields, volume 1

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1991-01-01

The following subject areas are covered: the development of detailed nonequilibrium radiation models for molecules along with appropriate models for atoms; the inclusion of nongray radiation gasdynamic coupling in the VSL (Viscous Shock Layer) code; the development and evaluation of various electron-electronic energy models; and an examination of the effects of shock slip.

Development and validation of chemistry agnostic flow battery cost performance model and application to nonaqueous electrolyte systems: Chemistry agnostic flow battery cost performance model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crawford, Alasdair; Thomsen, Edwin; Reed, David

2016-04-20

A chemistry agnostic cost performance model is described for a nonaqueous flow battery. The model predicts flow battery performance by estimating the active reaction zone thickness at each electrode as a function of current density, state of charge, and flow rate using measured data for electrode kinetics, electrolyte conductivity, and electrode-specific surface area. Validation of the model is conducted using a 4kW stack data at various current densities and flow rates. This model is used to estimate the performance of a nonaqueous flow battery with electrode and electrolyte properties used from the literature. The optimized cost for this system ismore » estimated for various power and energy levels using component costs provided by vendors. The model allows optimization of design parameters such as electrode thickness, area, flow path design, and operating parameters such as power density, flow rate, and operating SOC range for various application duty cycles. A parametric analysis is done to identify components and electrode/electrolyte properties with the highest impact on system cost for various application durations. A pathway to 100$kWh -1 for the storage system is identified.« less

Near-infrared laboratory spectroscopy of mineral chemistry: A review

NASA Astrophysics Data System (ADS)

Meer, Freek van der

2018-03-01

Spectroscopy is the science concerned with the investigation and measurement of spectra produced when materials interacts with or emits electromagnetic radiation. Commercial infrared spectrometer were designed from the 1950's onward and found their way into the pharmaceutical and chemical industries. In the 1970's and 1980's also natural sciences notably mineralogy and vegetation science started systematically to measure optical properties of leaves and minerals/rocks with spectrometers. In the last decade spectroscopy has made the step from qualitative observations of mineral classes, soil type and vegetation biomass to quantitative estimates of mineral, soil and vegetation chemistry. This resulted in geothermometers used to characterize metamorphic and hydrothermal systems and to the advent of foliar biochemistry. More research is still needed to bridge the gap between laboratory spectroscopy and field spectroscopy. Empirical studies of minerals either as soil or rock constituents (and vegetation parameters) derived from regression analysis of spectra against chemistry is important in understanding the physics of the interaction of electromagnetic radiation and matter which in turn is important in the design of future satellite missions. Physics based models and retrievals are needed to operationalize these relationships and implement them in future earth observation missions as these are more robust and easy to transfer to other areas and data sets.

Prediction of Log "P": ALOGPS Application in Medicinal Chemistry Education

ERIC Educational Resources Information Center

Kujawski, Jacek; Bernard, Marek K.; Janusz, Anna; Kuzma, Weronika

2012-01-01

Molecular hydrophobicity (lipophilicity), usually quantified as log "P" where "P" is the partition coefficient, is an important molecular characteristic in medicinal chemistry and drug design. The log "P" coefficient is one of the principal parameters for the estimation of lipophilicity of chemical compounds and pharmacokinetic properties. The…

Sulfidic Anion Concentrations on Early Earth for Surficial Origins-of-Life Chemistry.

PubMed

Ranjan, Sukrit; Todd, Zoe R; Sutherland, John D; Sasselov, Dimitar D

2018-04-08

A key challenge in origin-of-life studies is understanding the environmental conditions on early Earth under which abiogenesis occurred. While some constraints do exist (e.g., zircon evidence for surface liquid water), relatively few constraints exist on the abundances of trace chemical species, which are relevant to assessing the plausibility and guiding the development of postulated prebiotic chemical pathways which depend on these species. In this work, we combine literature photochemistry models with simple equilibrium chemistry calculations to place constraints on the plausible range of concentrations of sulfidic anions (HS - , HSO 3 - , SO 3 2- ) available in surficial aquatic reservoirs on early Earth due to outgassing of SO 2 and H 2 S and their dissolution into small shallow surface water reservoirs like lakes. We find that this mechanism could have supplied prebiotically relevant levels of SO 2 -derived anions, but not H 2 S-derived anions. Radiative transfer modeling suggests UV light would have remained abundant on the planet surface for all but the largest volcanic explosions. We apply our results to the case study of the proposed prebiotic reaction network of Patel et al. ( 2015 ) and discuss the implications for improving its prebiotic plausibility. In general, epochs of moderately high volcanism could have been especially conducive to cyanosulfidic prebiotic chemistry. Our work can be similarly applied to assess and improve the prebiotic plausibility of other postulated surficial prebiotic chemistries that are sensitive to sulfidic anions, and our methods adapted to study other atmospherically derived trace species. Key Words: Early Earth-Origin of life-Prebiotic chemistry-Volcanism-UV radiation-Planetary environments. Astrobiology 18, xxx-xxx.

Applicant Interview Experiences and Postinterview Communication of the 2016 Radiation Oncology Match Cycle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berriochoa, Camille; Ward, Matthew C.; Weller, Michael A.

Purpose: To characterize applicant interview experiences at radiation oncology residency programs during the 2016 match cycle and to assess applicant opinions regarding postinterview communication (PIC) after recent attention to gamesmanship noted in prior match cycles. Methods and Materials: An anonymous, institutional review board–approved, 29-question survey was deployed following the rank order list deadline to all 2016 radiation oncology residency applicants applying to a single institution. Results: Complete surveys were returned by 118 of 210 applicants, for a 56% response rate. Regarding possible match violation questions, 84% of respondents were asked at least once about where else they were interviewing (occurredmore » at a median of 20% of program interviews); 51% were asked about marital status (6% of interviews); and 22% were asked about plans to have children (1% of interviews). Eighty-three percent of applicants wrote thank-you notes, with 55% reporting fear of being viewed unfavorably if such notes were not communicated. Sixty percent of applicants informed a program that they had ranked a program highly; 53% felt this PIC strategy would improve their standing on the rank order list, yet 46% reported feeling distressed by this obligation. A majority of applicants stated that they would feel relieved if programs explicitly discouraged PIC (89%) and that it would be preferable if programs prohibited applicants from notifying the program of their rank position (66%). Conclusions: Potential match violations occur at a high rate but are experienced at a minority of interviews. Postinterview communication occurs frequently, with applicants reporting resultant distress. Respondents stated that active discouragement of both thank-you notes/e-mails and applicants' notification to programs of their ranking would be preferred.« less

Engineering Protein Hydrogels Using SpyCatcher-SpyTag Chemistry.

PubMed

Gao, Xiaoye; Fang, Jie; Xue, Bin; Fu, Linglan; Li, Hongbin

2016-09-12

Constructing hydrogels from engineered proteins has attracted significant attention within the material sciences, owing to their myriad potential applications in biomedical engineering. Developing efficient methods to cross-link tailored protein building blocks into hydrogels with desirable mechanical, physical, and functional properties is of paramount importance. By making use of the recently developed SpyCatcher-SpyTag chemistry, we successfully engineered protein hydrogels on the basis of engineered tandem modular elastomeric proteins. Our resultant protein hydrogels are soft but stable, and show excellent biocompatibility. As the first step, we tested the use of these hydrogels as a drug carrier, as well as in encapsulating human lung fibroblast cells. Our results demonstrate the robustness of the SpyCatcher-SpyTag chemistry, even when the SpyTag (or SpyCatcher) is flanked by folded globular domains. These results demonstrate that SpyCatcher-SpyTag chemistry can be used to engineer protein hydrogels from tandem modular elastomeric proteins that can find applications in tissue engineering, in fundamental mechano-biological studies, and as a controlled drug release vehicle.

Hydrogel-Tissue Chemistry: Principles and Applications.

PubMed

Gradinaru, Viviana; Treweek, Jennifer; Overton, Kristin; Deisseroth, Karl

2018-05-20

Over the past five years, a rapidly developing experimental approach has enabled high-resolution and high-content information retrieval from intact multicellular animal (metazoan) systems. New chemical and physical forms are created in the hydrogel-tissue chemistry process, and the retention and retrieval of crucial phenotypic information regarding constituent cells and molecules (and their joint interrelationships) are thereby enabled. For example, rich data sets defining both single-cell-resolution gene expression and single-cell-resolution activity during behavior can now be collected while still preserving information on three-dimensional positioning and/or brain-wide wiring of those very same neurons-even within vertebrate brains. This new approach and its variants, as applied to neuroscience, are beginning to illuminate the fundamental cellular and chemical representations of sensation, cognition, and action. More generally, reimagining metazoans as metareactants-or positionally defined three-dimensional graphs of constituent chemicals made available for ongoing functionalization, transformation, and readout-is stimulating innovation across biology and medicine.

The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem.

PubMed

Phadungsukanan, Weerapong; Kraft, Markus; Townsend, Joe A; Murray-Rust, Peter

2012-08-07

: This paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) by adding computational chemistry semantics on top of the CML Schema. The format allows a wide range of ab initio quantum chemistry calculations of individual molecules to be stored. These calculations include, for example, single point energy calculation, molecular geometry optimization, and vibrational frequency analysis. The paper also describes the supporting infrastructure, such as processing software, dictionaries, validation tools and database repositories. In addition, some of the challenges and difficulties in developing common computational chemistry dictionaries are discussed. The uses of CompChem are illustrated by two practical applications.

The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem

PubMed Central

2012-01-01

This paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) by adding computational chemistry semantics on top of the CML Schema. The format allows a wide range of ab initio quantum chemistry calculations of individual molecules to be stored. These calculations include, for example, single point energy calculation, molecular geometry optimization, and vibrational frequency analysis. The paper also describes the supporting infrastructure, such as processing software, dictionaries, validation tools and database repositories. In addition, some of the challenges and difficulties in developing common computational chemistry dictionaries are discussed. The uses of CompChem are illustrated by two practical applications. PMID:22870956

Synthesis and evaluation of functional alginate hydrogels based on click chemistry for drug delivery applications.

PubMed

García-Astrain, Clara; Avérous, Luc

2018-06-15

Environment-sensitive alginate-based hydrogels for drug delivery applications are receiving increasing attention. However, most work in this field involves traditional cross-linking strategies which led to hydrogels with poor long-term stability. Herein, a series of chemically cross-linked alginate hydrogels was synthesized via click chemistry using Diels-Alder reaction by reacting furan-modified alginate and bifunctional cross-linkers. Alginate was successfully functionalized with furfurylamine. Then, 3D architectures were synthesized with water-soluble bismaleimides. Different substitution degrees were achieved in order to study the effect of alginate modification and the cross-linking extent over the behaviour of the hydrogels. The ensuing hydrogels were analysed in terms of microstructure, swelling, structure modification and rheological behaviour. The materials response to external stimuli such as pH was also investigated, revealing a pulsatile behaviour in a large pH range (1-13) and a clear pH-dependent swelling. Finally, vanillin release studies were conducted to demonstrate the potential of these biobased materials for drug delivery applications. Copyright © 2018 Elsevier Ltd. All rights reserved.

The Chemistry Teaching Program for Developing the Senior High School Students' Entrepreneurial Attitudes

ERIC Educational Resources Information Center

Susianna, Nancy

2011-01-01

The objectives of this research were to identify the characteristics and effectiveness of chemistry teaching programs that increase students' entrepreneurial attitudes, chemistry concepts understanding and creativity. The research design application refers to the R & D (Research and Development) Design. Seventy-three senior high school students…

An Asymptotic Approach to the Development of a Green Organic Chemistry Laboratory

ERIC Educational Resources Information Center

Goodwin, Thomas E.

2004-01-01

Green chemistry is the utilization of a set of principles that reduces or eliminates the use or generation of hazardous substances in the design, manufacture and application of chemical products. Some of the philosophical questions and practical decisions that have guided the greening of the organic chemistry laboratory at Hendrix College in…

Spectroscopy, colorimetry, and biological chemistry in the nineteenth century.

PubMed Central

Rinsler, M G

1981-01-01

The development of colorimetry and spectroscopy in the nineteenth century is described. An account is given of the application of their techniques to biological chemistry during that period. PMID:7014652

Chemistry for whom? Gender awareness in teaching and learning chemistry

NASA Astrophysics Data System (ADS)

Andersson, Kristina

2017-06-01

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.

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields, volume 3

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1991-01-01

The computer programs developed to calculate the shock wave precursor and the method of using them are described. This method calculated the precursor flow field in a nitrogen gas including the effects of emission and absorption of radiation on the energy and composition of gas. The radiative transfer is calculated including the effects of absorption and emission through the line as well as the continuum process in the shock layer and through the continuum processes only in the precursor. The effects of local thermodynamic nonequilibrium in the shock layer and precursor regions are also included in the radiative transfer calculations. Three computer programs utilized by this computational scheme to calculate the precursor flow field solution for a given shock layer flow field are discussed.

Pacifichem 2000 Symposium on Plasma Chemistry and Technology for Green Manufacturing, Pollution Control and Processing Applications

DTIC Science & Technology

2001-03-19

Plasma chemistry and technology represents a significant advance and improvement for green manufacturing, pollution control, and various processing...December 14-19, 2000 in Honolulu, HI. This Congress consists of over 120 symposia. amongst them the Symposium on Plasma Chemistry and Technology for...in the plasma chemistry many field beyond the more traditional and mature fields of semiconductor and materials processing. This symposium was focus on

Case Study Applications in Chemistry Lesson: Gases, Liquids, and Solids

ERIC Educational Resources Information Center

Ayyildiz, Yildizay; Tarhan, Leman

2013-01-01

This study aims at investigating the effects of case studies developed by the researchers on Science Teaching students' understanding of "gases, liquids and solids," and their attitudes towards chemistry lessons. The study was conducted on 52 freshmen from the Department of Science Teaching at a university in Turkey. Pre-test and…

Presidential Green Chemistry Challenge: 2000 Designing Greener Chemicals Award

EPA Pesticide Factsheets

Presidential Green Chemistry Challenge 2000 award winner, Dow AgroSciences, developed Sentricon to eliminate termites with bait applied only where termites are active; it replaces widespread applications of pesticide to soil.

Chemistry at the dirac point of graphene

NASA Astrophysics Data System (ADS)

Sarkar, Santanu

Graphene holds great potential as an electronic material because of its excellent transport properties, which derive from its unique Fermi surface and ballistic conductance. It exhibits extremely high mobility [~250,000 cm*2/(V*s)]. Despite its extraordinary properties, the absence of a band-gap in graphene makes it unsuitable for its use as an active element in conventional field effect transistors (FETs). Another problem with pristine graphene is its lack of solution processability, which inhibits it applications in numerous fields such as printed electronics, transparent conductors, nano-biodevices, and thin film technologies involving fuel cells, capacitors and solar cells. My thesis is focused on addressing theses issue by application of covalent chemistry on graphene. We have applied the Kolbe electro-oxidation strategy to achieve an efficient quasi-reversible electrochemical grafting of the naphthylmethyl radicals to graphene. The method facilitates reversible bandgap engineering in graphene and preparation of electrochemically erasable organic dielectric films. We have discovered that the zero-band-gap electronic structure of graphene enables it to function as either the diene or the dienophile in the Diels-Alder (DA) reaction, and this versatile synthetic method offers a powerful strategy for the reversible modification of the electronic properties of graphene under very mild conditions. We show that the application of the Diels-Alder (DA) chemistry to graphene, which is capable of simultaneous formation of a pair of sp3-carbon centers (balanced divacancies) in graphene, can selectively produce DA-modified graphene FET devices with mobility between 1,000-6,000 cm2V-1s-1 (with a variable range hopping transport mechanism). Most of the covalent chemistry applied on graphene leads to the change in hybridization of graphene sp2 carbon to sp3 (destructive hybridization) and the FET devices based on such covalently modified graphene shows a drastic reduction of

Chem I Supplement: Chemistry of Steel Making.

ERIC Educational Resources Information Center

Sellers, Neal

1980-01-01

Provides information about the chemistry of steel making applicable to teaching secondary school science. Generalized chemical reactions describe the manufacture of steel from iron ore. Also discussed are raw materials, processing choices, and how various furnaces (blast, direct reduction, open hearth, basic oxygen, electric) work. (CS)

Essential chemistry for biochemists

PubMed Central

Jonsson, Amanda L.; Roberts, Mark A.J.; Kiappes, J.L.; Scott, Kathryn A.

2017-01-01

Within every living organism, countless reactions occur every second. These reactions typically occur more rapidly and with greater efficiency than would be possible under the same conditions in the chemical laboratory, and while using only the subset of elements that are readily available in nature. Despite these apparent differences between life and the laboratory, biological reactions are governed by the same rules as any other chemical reaction. Thus, a firm understanding of the fundamentals of chemistry is invaluable in biochemistry. There are entire textbooks devoted to the application of chemical principles in biological systems and so it is not possible to cover all of the relevant topics in depth in this short article. The aim is instead to provide a brief overview of those areas in chemistry that are most relevant to biochemistry. We summarize the basic principles, give examples of how these principles are applied in biological systems and suggest further reading on individual topics. PMID:28951470

Annual Conference on Nuclear and Space Radiation Effects, 14th, College of William and Mary, Williamsburg, Va., July 12-15, 1977, Proceedings

NASA Technical Reports Server (NTRS)

Stahl, R. H.

1977-01-01

Topics related to processing and hardness assurance are considered, taking into account the radiation hardening of CMOS technologies, technological advances in the manufacture of radiation-hardened CMOS integrated circuits, CMOS hardness assurance through process controls and optimized design procedures, the application of operational amplifiers to hardened systems, a hard off-the-shelf SG1524 pulse width modulator, and the gamma-induced voltage breakdown anomaly in a Schottky diode. Basic mechanisms are examined, giving attention to chemical and structural aspects of the irradiation behavior of SiO2 films on silicon, experimental observations of the chemistry of the SiO2/Si interface, leakage current phenomena in irradiated SOS devices, the avalanche injection of holes into SiO2, the low-temperature radiation response of Al2O3 gate insulators, and neutron damage mechanisms in silicon at 10 K. Other subjects discussed are related to radiation effects in devices and circuits, space radiation effects, and aspects of simulation, energy deposition, and dosimetry.

Metabolomic applications in radiation biodosimetry: exploring radiation effects through small molecules.

PubMed

Pannkuk, Evan L; Fornace, Albert J; Laiakis, Evagelia C

2017-10-01

Exposure of the general population to ionizing radiation has increased in the past decades, primarily due to long distance travel and medical procedures. On the other hand, accidental exposures, nuclear accidents, and elevated threats of terrorism with the potential detonation of a radiological dispersal device or improvised nuclear device in a major city, all have led to increased needs for rapid biodosimetry and assessment of exposure to different radiation qualities and scenarios. Metabolomics, the qualitative and quantitative assessment of small molecules in a given biological specimen, has emerged as a promising technology to allow for rapid determination of an individual's exposure level and metabolic phenotype. Advancements in mass spectrometry techniques have led to untargeted (discovery phase, global assessment) and targeted (quantitative phase) methods not only to identify biomarkers of radiation exposure, but also to assess general perturbations of metabolism with potential long-term consequences, such as cancer, cardiovascular, and pulmonary disease. Metabolomics of radiation exposure has provided a highly informative snapshot of metabolic dysregulation. Biomarkers in easily accessible biofluids and biospecimens (urine, blood, saliva, sebum, fecal material) from mouse, rat, and minipig models, to non-human primates and humans have provided the basis for determination of a radiation signature to assess the need for medical intervention. Here we provide a comprehensive description of the current status of radiation metabolomic studies for the purpose of rapid high-throughput radiation biodosimetry in easily accessible biofluids and discuss future directions of radiation metabolomics research.

Click Chemistry in Complex Mixtures: Bioorthogonal Bioconjugation

PubMed Central

McKay, Craig S.; Finn, M.G.

2014-01-01

The selective chemical modification of biological molecules drives a good portion of modern drug development and fundamental biological research. While a few early examples of reactions that engage amine and thiol groups on proteins helped establish the value of such processes, the development of reactions that avoid most biological molecules so as to achieve selectivity in desired bond-forming events has revolutionized the field. We provide an update on recent developments in bioorthogonal chemistry that highlights key advances in reaction rates, biocompatibility, and applications. While not exhaustive, we hope this summary allows the reader to appreciate the rich continuing development of good chemistry that operates in the biological setting. PMID:25237856

The Future of Ethenolysis in Biobased Chemistry.

PubMed

Spekreijse, Jurjen; Sanders, Johan P M; Bitter, Johannes H; Scott, Elinor L

2017-02-08

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 extensively examined using methyl oleate as a model compound for fatty acids. Allied to this, the ethenolysis of fatty acid, polymers and more challenging substrates are reviewed. To determine the limiting factors for the application of ethenolysis on biomass, the influence of reaction parameters were investigated and the bottlenecks for reaching high turnover numbers identified. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Deep learning for computational chemistry.

PubMed

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

2017-06-15

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.

Exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology.

PubMed

Ojima, Iwao

2013-07-05

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.

Modeling Trends in Aerosol Direct Radiative Effects over the Northern Hemisphere using a Coupled Meteorology-Chemistry Model

NASA Astrophysics Data System (ADS)

Mathur, R.; Pleim, J.; Wong, D.; Hogrefe, C.; Xing, J.; Wei, C.; Gan, M.

2013-12-01

population trends, economic conditions, and technology changes in motor vehicles and electric power generation. Analysis of measurements of aerosol composition, radiation, and associated variables, over the past two decades will be presented which indicate significant reductions in the tropospheric aerosol burden as well as an increase in down-welling shortwave radiation at numerous sites across the U.S. Initial applications of the coupled WRF-CMAQ model for time-periods pre and post the implementation of CAA Title IV will be discussed and comparisons with measurements to assess the model's ability to capture trends in aerosol burden, composition, and direct aerosol effects on surface shortwave radiation will be presented.

Chemistry: Experiments, Demonstrations and Other Activities Suggested for Chemistry.

ERIC Educational Resources Information Center

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…

Physics through the 1990s: Scientific interfaces and technological applications

NASA Technical Reports Server (NTRS)

1986-01-01

The volume examines the scientific interfaces and technological applications of physics. Twelve areas are dealt with: biological physics-biophysics, the brain, and theoretical biology; the physics-chemistry interface-instrumentation, surfaces, neutron and synchrotron radiation, polymers, organic electronic materials; materials science; geophysics-tectonics, the atmosphere and oceans, planets, drilling and seismic exploration, and remote sensing; computational physics-complex systems and applications in basic research; mathematics-field theory and chaos; microelectronics-integrated circuits, miniaturization, future trends; optical information technologies-fiber optics and photonics; instrumentation; physics applications to energy needs and the environment; national security-devices, weapons, and arms control; medical physics-radiology, ultrasonics, MNR, and photonics. An executive summary and many chapters contain recommendations regarding funding, education, industry participation, small-group university research and large facility programs, government agency programs, and computer database needs.

Combination of Cyclodextrin and Ionic Liquid in Analytical Chemistry: Current and Future Perspectives.

PubMed

Hui, Boon Yih; Raoov, Muggundha; Zain, Nur Nadhirah Mohamad; Mohamad, Sharifah; Osman, Hasnah

2017-09-03

The growth in driving force and popularity of cyclodextrin (CDs) and ionic liquids (ILs) as promising materials in the field of analytical chemistry has resulted in an exponentially increase of their exploitation and production in analytical chemistry field. CDs belong to the family of cyclic oligosaccharides composing of α-(1,4) linked glucopyranose subunits and possess a cage-like supramolecular structure. This structure enables chemical reactions to proceed between interacting ions, radical or molecules in the absence of covalent bonds. Conversely, ILs are an ionic fluids comprising of only cation and anion often with immeasurable vapor pressure making them as green or designer solvent. The cooperative effect between CD and IL due to their fascinating properties, have nowadays contributed their footprints for a better development in analytical chemistry nowadays. This comprehensive review serves to give an overview on some of the recent studies and provides an analytical trend for the application of CDs with the combination of ILs that possess beneficial and remarkable effects in analytical chemistry including their use in various sample preparation techniques such as solid phase extraction, magnetic solid phase extraction, cloud point extraction, microextraction, and separation techniques which includes gas chromatography, high-performance liquid chromatography, capillary electrophoresis as well as applications of electrochemical sensors as electrode modifiers with references to recent applications. This review will highlight the nature of interactions and synergic effects between CDs, ILs, and analytes. It is hoped that this review will stimulate further research in analytical chemistry.

Supramolecular chemistry at interfaces: host-guest interactions for fabricating multifunctional biointerfaces.

PubMed

Yang, Hui; Yuan, Bin; Zhang, Xi; Scherman, Oren A

2014-07-15

CONSPECTUS: Host-guest chemistry can greatly improve the selectivity of biomolecule-ligand binding on account of recognition-directed interactions. In addition, functional structures and the actuation of supramolecular assemblies in molecular systems can be controlled efficiently through various host-guest chemistry. Together, these highly selective, strong yet dynamic interactions can be exploited as an alternative methodology for applications in the field of programmable and controllable engineering of supramolecular soft materials through the reversible binding between complementary components. Many processes in living systems such as biotransformation, transportation of matter, and energy transduction begin with interfacial molecular recognition, which is greatly influenced by various external stimuli at biointerfaces. Detailed investigations about the molecular recognition at interfaces can result in a better understanding of life science, and further guide us in developing new biomaterials and medicines. In order to mimic complicated molecular-recognition systems observed in nature that adapt to changes in their environment, combining host-guest chemistry and surface science is critical for fabricating the next generation of multifunctional biointerfaces with efficient stimuli-responsiveness and good biocompatibility. In this Account, we will summarize some recent progress on multifunctional stimuli-responsive biointerfaces and biosurfaces fabricated by cyclodextrin- or cucurbituril-based host-guest chemistry and highlight their potential applications including drug delivery, bioelectrocatalysis, and reversible adsorption and resistance of peptides, proteins, and cells. In addition, these biointerfaces and biosurfaces demonstrate efficient response toward various external stimuli, such as UV light, pH, redox chemistry, and competitive guests. All of these external stimuli can aid in mimicking the biological stimuli evident in complex biological environments

Effect of Space Radiation Processing on Lunar Soil Surface Chemistry: X-Ray Photoelectron Spectroscopy Studies

NASA Technical Reports Server (NTRS)

Dukes, C.; Loeffler, M.J.; Baragiola, R.; Christoffersen, R.; Keller, J.

2009-01-01

Current understanding of the chemistry and microstructure of the surfaces of lunar soil grains is dominated by a reference frame derived mainly from electron microscopy observations [e.g. 1,2]. These studies have shown that the outermost 10-100 nm of grain surfaces in mature lunar soil finest fractions have been modified by the combined effects of solar wind exposure, surface deposition of vapors and accretion of impact melt products [1,2]. These processes produce surface-correlated nanophase Feo, host grain amorphization, formation of surface patinas and other complex changes [1,2]. What is less well understood is how these changes are reflected directly at the surface, defined as the outermost 1-5 atomic monolayers, a region not easily chemically characterized by TEM. We are currently employing X-ray Photoelectron Spectroscopy (XPS) to study the surface chemistry of lunar soil samples that have been previously studied by TEM. This work includes modification of the grain surfaces by in situ irradiation with ions at solar wind energies to better understand how irradiated surfaces in lunar grains change their chemistry once exposed to ambient conditions on earth.

Nonlinear aspects of acoustic radiation force in biomedical applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ostrovsky, Lev, E-mail: Lev.A.Ostrovsky@noaa.gov; Tsyuryupa, Sergey; Sarvazyan, Armen, E-mail: armen@artannlabs.com

In the past decade acoustic radiation force (ARF) became a powerful tool in numerous biomedical applications. ARF from a focused ultrasound beam acts as a virtual “finger” for remote probing of internal anatomical structures and obtaining diagnostic information. This presentation deals with generation of shear waves by nonlinear focused beams. Albeit the ARF has intrinsically nonlinear origin, in most cases the primary ultrasonic wave was considered in the linear approximation. In this presentation, we consider the effects of nonlinearly distorted beams on generation of shear waves by such beams.

Nonlinear aspects of acoustic radiation force in biomedical applications

NASA Astrophysics Data System (ADS)

Ostrovsky, Lev; Tsyuryupa, Sergey; Sarvazyan, Armen

2015-10-01

In the past decade acoustic radiation force (ARF) became a powerful tool in numerous biomedical applications. ARF from a focused ultrasound beam acts as a virtual "finger" for remote probing of internal anatomical structures and obtaining diagnostic information. This presentation deals with generation of shear waves by nonlinear focused beams. Albeit the ARF has intrinsically nonlinear origin, in most cases the primary ultrasonic wave was considered in the linear approximation. In this presentation, we consider the effects of nonlinearly distorted beams on generation of shear waves by such beams.

Thermally-Induced Chemistry and the Jovian Icy Satellites: A Laboratory Study of the Formation of Sulfur Oxyanions

NASA Technical Reports Server (NTRS)

Loeffler, Mark J.; Hudson, Reggie L.

2011-01-01

Laboratory experiments have demonstrated that magnetospheric radiation in the Jovian system drives reaction chemistry in ices at temperatures relevant to Europa and other icy satellites. Here we present new results on thermally-induced reactions at 50-100 K in solid H2O-SO2 mixtures, reactions that take place without the need for a high-radiation environment. We find that H2O and SO2 react to produce sulfur Oxyanions, such as bisulfite, that as much as 30% of the SO2 can be consumed through this reaction, and that the products remain in the ice when the temperature is lowered, indicating that these reactions are irreversible. Our results suggest that thermally-induced reactions can alter the chemistry at temperatures relevant to the icy satellites in the Jovian system.

Apoc Social: A Mobile Interactive and Social Learning Platform for Collaborative Solving of Advanced Problems in Organic Chemistry.

PubMed

Sievertsen, Niels; Carreira, Erick M

2018-02-01

Mobile devices such as smartphones are carried in the pockets of university students around the globe and are increasingly cheap to come by. These portable devices have evolved into powerful and interconnected handheld computers, which, among other applications, can be used as advanced learning tools and providers of targeted, curated content. Herein, we describe Apoc Social (Advanced Problems in Organic Chemistry Social), a mobile application that assists both learning and teaching college-level organic chemistry both in the classroom and on the go. With more than 750 chemistry exercises available, Apoc Social facilitates collaborative learning through discussion boards and fosters enthusiasm for complex organic chemistry.

Evaluating Contextual Processing in Diffusion MRI: Application to Optic Radiation Reconstruction for Epilepsy Surgery

PubMed Central

Tax, Chantal M. W.; Duits, Remco; Vilanova, Anna; ter Haar Romeny, Bart M.; Hofman, Paul; Wagner, Louis; Leemans, Alexander; Ossenblok, Pauly

2014-01-01

Diffusion MRI and tractography allow for investigation of the architectural configuration of white matter in vivo, offering new avenues for applications like presurgical planning. Despite the promising outlook, there are many pitfalls that complicate its use for (clinical) application. Amongst these are inaccuracies in the geometry of the diffusion profiles on which tractography is based, and poor alignment with neighboring profiles. Recently developed contextual processing techniques, including enhancement and well-posed geometric sharpening, have shown to result in sharper and better aligned diffusion profiles. However, the research that has been conducted up to now is mainly of theoretical nature, and so far these techniques have only been evaluated by visual inspection of the diffusion profiles. In this work, the method is evaluated in a clinically relevant application: the reconstruction of the optic radiation for epilepsy surgery. For this evaluation we have developed a framework in which we incorporate a novel scoring procedure for individual pathways. We demonstrate that, using enhancement and sharpening, the extraction of an anatomically plausible reconstruction of the optic radiation from a large amount of probabilistic pathways is greatly improved in three healthy controls, where currently used methods fail to do so. Furthermore, challenging reconstructions of the optic radiation in three epilepsy surgery candidates with extensive brain lesions demonstrate that it is beneficial to integrate these methods in surgical planning. PMID:25077946

Evaluating contextual processing in diffusion MRI: application to optic radiation reconstruction for epilepsy surgery.

PubMed

Tax, Chantal M W; Duits, Remco; Vilanova, Anna; ter Haar Romeny, Bart M; Hofman, Paul; Wagner, Louis; Leemans, Alexander; Ossenblok, Pauly

2014-01-01

Diffusion MRI and tractography allow for investigation of the architectural configuration of white matter in vivo, offering new avenues for applications like presurgical planning. Despite the promising outlook, there are many pitfalls that complicate its use for (clinical) application. Amongst these are inaccuracies in the geometry of the diffusion profiles on which tractography is based, and poor alignment with neighboring profiles. Recently developed contextual processing techniques, including enhancement and well-posed geometric sharpening, have shown to result in sharper and better aligned diffusion profiles. However, the research that has been conducted up to now is mainly of theoretical nature, and so far these techniques have only been evaluated by visual inspection of the diffusion profiles. In this work, the method is evaluated in a clinically relevant application: the reconstruction of the optic radiation for epilepsy surgery. For this evaluation we have developed a framework in which we incorporate a novel scoring procedure for individual pathways. We demonstrate that, using enhancement and sharpening, the extraction of an anatomically plausible reconstruction of the optic radiation from a large amount of probabilistic pathways is greatly improved in three healthy controls, where currently used methods fail to do so. Furthermore, challenging reconstructions of the optic radiation in three epilepsy surgery candidates with extensive brain lesions demonstrate that it is beneficial to integrate these methods in surgical planning.

Development and application of a 3-D geometry/mass model for LDEF satellite ionizing radiation assessments

NASA Technical Reports Server (NTRS)

Colborn, B. L.; Armstong, T. W.

1993-01-01

A three-dimensional geometry and mass model of the Long Duration Exposure Facility (LDEF) spacecraft and experiment trays was developed for use in predictions and data interpretation related to ionizing radiation measurements. The modeling approach, level of detail incorporated, example models for specific experiments and radiation dosimeters, and example applications of the model are described.

Bioorthogonal chemistry: strategies and recent development

PubMed Central

Ramil, Carlo P.; Lin, Qing

2013-01-01

The use of covalent chemistry to track biomolecules in their native environment—a focus of bioorthogonal chemistry—has received considerable interests recently among chemical biologists and organic chemists alike. To facilitate wider adoption of bioorthogonal chemistry in biomedical research, a central effort in the last few years has been focused on the optimization of a few known bioorthogonal reactions, particularly with respective to reaction kinetics improvement, novel genetic encoding systems, and fluorogenic reactions for bioimaging. During these optimizations, three strategies have emerged, including the use of ring strain for substrate activation in the cycloaddition reactions, the discovery of new ligands and privileged substrates for accelerated metal-catalysed reactions, and the design of substrates with pre-fluorophore structures for rapid “turn-on” fluorescence after selective bioorthogonal reactions. In addition, new bioorthogonal reactions based on either modified or completely unprecedented reactant pairs have been reported. Finally, increasing attention has been directed toward the development of mutually exclusive bioorthogonal reactions and their applications in multiple labeling of a biomolecule in cell culture. In this feature article, we wish to present the recent progress in bioorthogonal reactions through the selected examples that highlight the above-mentioned strategies. Considering increasing sophistication in bioorthogonal chemistry development, we strive to project several exciting opportunities where bioorthogonal chemistry can make a unique contribution to biology in near future. PMID:24145483

The effect of ionizing radiation on microbiological decontamination of medical herbs and biologically active compounds

NASA Astrophysics Data System (ADS)

Migdal, W.; Owczarczyk, B.; Kedzia, B.; Holderna-Kedzia, E.; Segiet-Kujawa, E.

1998-06-01

Several thousand tons of medical herbs are produced annually by pharmaceutical industry in Poland. This product should be of highest quality and microbial purity. Recently, chemical methods of decontamination are recognized as less safe, thus irradiation technique was chosen to replace them in use. In the Institute of Nuclear Chemistry and Technology the national program on the application of irradiation to the decontamination of medical herbs is in progress now. The purpose of the program is to elaborate, on the basis of research work, the facility standards and technological instructions indispensable for the practice of radiation technology.

Integrative Biological Chemistry Program Includes the Use of Informatics Tools, GIS and SAS Software Applications

ERIC Educational Resources Information Center

D'Souza, Malcolm J.; Kashmar, Richard J.; Hurst, Kent; Fiedler, Frank; Gross, Catherine E.; Deol, Jasbir K.; Wilson, Alora

2015-01-01

Wesley College is a private, primarily undergraduate minority-serving institution located in the historic district of Dover, Delaware (DE). The College recently revised its baccalaureate biological chemistry program requirements to include a one-semester Physical Chemistry for the Life Sciences course and project-based experiential learning…

Pheromone Chemistry of the Smaller European Elm Bark Beetle.

ERIC Educational Resources Information Center

Beck, Keith

1978-01-01

Discusses the aggregation pheromone of the smaller European elm bark beetle, Scolytus multistriatus (Marsham), with emphasis on information that could be used in the classroom as a practical application of organic chemistry. (Author/GA)

The radiative heating response to climate change

NASA Astrophysics Data System (ADS)

Maycock, Amanda

2016-04-01

The structure and magnitude of radiative heating rates in the atmosphere can change markedly in response to climate forcings; diagnosing the causes of these changes can aid in understanding parts of the large-scale circulation response to climate change. This study separates the relative drivers of projected changes in longwave and shortwave radiative heating rates over the 21st century into contributions from radiatively active gases, such as carbon dioxide, ozone and water vapour, and from changes in atmospheric and surface temperatures. Results are shown using novel radiative diagnostics applied to timeslice experiments from the UM-UKCA chemistry-climate model; these online estimates are compared to offline radiative transfer calculations. Line-by-line calculations showing spectrally-resolved changes in heating rates due to different gases will also be presented.

Convection and thermal radiation analytical models applicable to a nuclear waste repository room

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, B.W.

1979-01-17

Time-dependent temperature distributions in a deep geologic nuclear waste repository have a direct impact on the physical integrity of the emplaced canisters and on the design of retrievability options. This report (1) identifies the thermodynamic properties and physical parameters of three convection regimes - forced, natural, and mixed; (2) defines the convection correlations applicable to calculating heat flow in a ventilated (forced-air) and in a nonventilated nuclear waste repository room; and (3) delineates a computer code that (a) computes and compares the floor-to-ceiling heat flow by convection and radiation, and (b) determines the nonlinear equivalent conductivity table for a repositorymore » room. (The tables permit the use of the ADINAT code to model surface-to-surface radiation and the TRUMP code to employ two different emissivity properties when modeling radiation exchange between the surface of two different materials.) The analysis shows that thermal radiation dominates heat flow modes in a nuclear waste repository room.« less

Radiation hardening of optical fibers and fiber sensors for space applications: recent advances

NASA Astrophysics Data System (ADS)

Girard, S.; Ouerdane, Y.; Pinsard, E.; Laurent, A.; Ladaci, A.; Robin, T.; Cadier, B.; Mescia, L.; Boukenter, A.

2017-11-01

In these ICSO proceedings, we review recent advances from our group concerning the radiation hardening of optical fiber and fiber-based sensors for space applications and compare their benefits to state-of-the-art results. We focus on the various approaches we developed to enhance the radiation tolerance of two classes of optical fibers doped with rare-earths: the erbium (Er)-doped ones and the ytterbium/erbium (Er/Yb)-doped ones. As a first approach, we work at the component level, optimizing the fiber structure and composition to reduce their intrinsically high radiation sensitivities. For the Erbium-doped fibers, this has been achieved using a new structure for the fiber that is called Hole-Assisted Carbon Coated (HACC) optical fibers whereas for the Er/Ybdoped optical fibers, their hardening was successfully achieved adding to the fiber, the Cerium element, that prevents the formation of the radiation-induced point defects responsible for the radiation induced attenuation in the infrared part of the spectrum. These fibers are used as part of more complex systems like amplifiers (Erbium-doped Fiber Amplifier, EDFA or Yb-EDFA) or source (Erbium-doped Fiber Source, EDFS or Yb- EDFS), we discuss the impact of using radiation-hardened fibers on the system radiation vulnerability and demonstrate the resistance of these systems to radiation constraints associated with today and future space missions. Finally, we will discuss another radiation hardening approach build in our group and based on a hardening-by-system strategy in which the amplifier is optimized during its elaboration for its future mission considering the radiation effects and not in-lab.

Gas Heating, Chemistry and Photoevaporation in Protostellar Disks

NASA Technical Reports Server (NTRS)

Hollenbach, David

2004-01-01

We model the thermal balance, the chemistry, and the radiative transfer in dusty disks orbiting young, low mass stars. These models are motivated by observations of infrared and ultraviolet transitions of H2 from protoplanetary disks, as well as millimeter and submillimeter observations of other molecules such as CO, and infrared continuum observations of the dust. The dust grains are heated primarily by the stellar radiation and the infrared radiation field produced by the dust itself. The gas is heated by collisions with warmer dust grains, X-rays from the region close to the stellar surface, UV pumping of hydrogen molecules, and the grain photoelectric heating mechanism initiated by UV photons from the central star. We treat cases where the gas to dust ratio is high, because the dust has settled to the midplane and coagulated into relatively large objects. We discuss situations in which the infrared emission from H2 can be detected, and how the comparison of the observations with our models can deduce physical parameters such as the mass and the density and temperature distribution of the gas.

Radiation repair models for clinical application.

PubMed

Dale, Roger G

2018-02-28

A number of newly emerging clinical techniques involve non-conventional patterns of radiation delivery which require an appreciation of the role played by radiation repair phenomena. This review outlines the main models of radiation repair, focussing on those which are of greatest clinical usefulness and which may be incorporated into biologically effective dose assessments. The need to account for the apparent "slowing-down" of repair rates observed in some normal tissues is also examined, along with a comparison of the relative merits of the formulations which can be used to account for such phenomena. Jack Fowler brought valuable insight to the understanding of radiation repair processes and this article includes reference to his important contributions in this area.

Exploring the limitations of the Hantzsch method used for quantification of hydroxyl radicals in systems of relevance for interfacial radiation chemistry

NASA Astrophysics Data System (ADS)

Yang, Miao; Soroka, Inna; Jonsson, Mats

2017-01-01

In the presence of Tris or methanol, hydroxyl radicals in systems of relevance for interfacial radiation chemistry can be quantified indirectly via the Hantzsch method by determining the amount of the scavenging product formaldehyde formed. In this work, the influence of the presence of H2O2 on the Hantzsch method using acetoacetanilide (AAA) as derivatization reagent is studied. The experiments show that the measured CH2O concentration deviates from the actual concentration in the presence of H2O2 and the deviation increases with increasing [H2O2]0/[CH2O]0. The deviation is negative, i.e., the measured formaldehyde concentration is lower than the actual concentration. This leads to an underestimation of the hydroxyl radical production in systems containing significant amount of H2O2. The main reason for the deviation is found to be three coupled equilibria involving H2O2, CH2O and the derivative produced in the Hantzsch method.

Effects of different representations of transport in the new EMAC-SWIFT chemistry climate model

NASA Astrophysics Data System (ADS)

Scheffler, Janice; Langematz, Ulrike; Wohltmann, Ingo; Kreyling, Daniel; Rex, Markus

2017-04-01

It is well known that the representation of atmospheric ozone chemistry in weather and climate models is essential for a realistic simulation of the atmospheric state. Interactively coupled chemistry climate models (CCMs) provide a means to realistically simulate the interaction between atmospheric chemistry and dynamics. The calculation of chemistry in CCMs, however, is computationally expensive which renders the use of complex chemistry models not suitable for ensemble simulations or simulations with multiple climate change scenarios. In these simulations ozone is therefore usually prescribed as a climatological field or included by incorporating a fast linear ozone scheme into the model. While prescribed climatological ozone fields are often not aligned with the modelled dynamics, a linear ozone scheme may not be applicable for a wide range of climatological conditions. An alternative approach to represent atmospheric chemistry in climate models which can cope with non-linearities in ozone chemistry and is applicable to a wide range of climatic states is the Semi-empirical Weighted Iterative Fit Technique (SWIFT) that is driven by reanalysis data and has been validated against observational satellite data and runs of a full Chemistry and Transport Model. SWIFT has been implemented into the ECHAM/MESSy (EMAC) chemistry climate model that uses a modular approach to climate modelling where individual model components can be switched on and off. When using SWIFT in EMAC, there are several possibilities to represent the effect of transport inside the polar vortex: the semi-Lagrangian transport scheme of EMAC and a transport parameterisation that can be useful when using SWIFT in models not having transport of their own. Here, we present results of equivalent simulations with different handling of transport, compare with EMAC simulations with full interactive chemistry and evaluate the results with observations.

IN-PACKAGE CHEMISTRY ABSTRACTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

E. Thomas

2005-07-14

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 EQ3/6more » 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.« less

Current status and future prospects for enabling chemistry technology in the drug discovery process.

PubMed

Djuric, Stevan W; Hutchins, Charles W; Talaty, Nari N

2016-01-01

This review covers recent advances in the implementation of enabling chemistry technologies into the drug discovery process. Areas covered include parallel synthesis chemistry, high-throughput experimentation, automated synthesis and purification methods, flow chemistry methodology including photochemistry, electrochemistry, and the handling of "dangerous" reagents. Also featured are advances in the "computer-assisted drug design" area and the expanding application of novel mass spectrometry-based techniques to a wide range of drug discovery activities.

Q-switched Er:YAG radiation transmission through an oxide glass fiber for medical applications

NASA Astrophysics Data System (ADS)

Papadopoulos, Dimitris N.; Papagiakoumou, Eirini; Serafetinides, Alexander A.

2002-09-01

In the last few years, there has been an increasing interest for the 3 μm laser radiation in various medical applications, as this wavelength is strongly absorbed by the water and the other components of soft and hard tissue. An intensive development effort is going on throughout the world, in order to develop reliable lasers emitting in the 3 μm wavelength range. Our laser development effort with the Q-switched Er:YAG laser is briefly described in this article. Additionally for medical applications there is a great demand for good flexible delivery systems, in the mid-IR wavelength region. In this work the radiation transmission of a Q-switched Er:YAG laser, emitting at 2.94 μm, through high power (HP) oxide glass fibers of 450 μm core diameter was studied. Attenuation measurements were obtained as a function of the laser energy input and as a function of curvature, at 90 °, 180° and 360° bending angle. The output beam quality was studied using a beam profiler. Experiments with the same delivery system transmitting free-running Er:YAG laser radiation, were performed for comparison. The results are promising for the delivery of Q-switched Er:YAG laser radiation, as the fibers exhibited attenuation of 0.7 dB/m, and no damage of them was observed.

Flow chemistry: A light touch to a deadly problem

NASA Astrophysics Data System (ADS)

Booker-Milburn, Kevin

2012-06-01

Flow chemistry has grown in stature as a technique with the potential to deliver synthetic complexity with assembly-line-like efficiency. Application of flow technology to the front-line antimalarial drug artemisinin promises to revolutionalize treatment.

Impact of an external radiation field on handheld XRF measurements for nuclear forensics applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steeb, Jennifer L.; Mertz, Carol J.; Finck, Martha R.

X-ray fluorescence (XRF) is an attractive technique for nuclear forensics applications. We evaluated a handheld, portable XRF device by applying an external radiation field (10 mR/h to 17 R/h) using two types of radiography sources: a 60Co radiography camera to observe effects from high-energy gamma emissions and an 192Ir radiography camera to observe effects from several low-energy gamma (0.604, 0.468, and 0.317 MeV) and decay daughter x-ray emissions. External radiation tests proved that radiation, in general, has a significant effect on the dead time or background at dose rates over 1 R/hr for both the 192Ir and 60Co sources.

National Chemistry Week 2000: JCE Resources in Food Chemistry

NASA Astrophysics Data System (ADS)

Jacobsen, Erica K.

2000-10-01

November brings another National Chemistry Week, and this year's theme is food chemistry. I was asked to collect and evaluate JCE resources for use with this theme, a project that took me deep into past issues of JCE and yielded many treasures. Here we present the results of searches for food chemistry information and activities. While the selected articles are mainly at the high school and college levels, there are some excellent ones for the elementary school level and some that can be adapted for younger students. The focus of all articles is on the chemistry of food itself. Activities that only use food to demonstrate a principle other than food chemistry are not included. Articles that cover household products such as cleansers and pharmaceuticals are also not included. Each article has been characterized as a demonstration, experiment, calculation, activity, or informational item; several fit more than one classification. Also included are keywords and an evaluation as to which levels the article may serve.

X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

DOE PAGES

Nelson, A. J.; Voss, L. F.; Beck, P. R.; ...

2013-01-12

We subjected device-grade TlBr to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl 2, Br:MeOH and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

NASA Astrophysics Data System (ADS)

Nelson, A. J.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Lee, J.-S.; Kim, H.; Cirignano, L.; Shah, K.

2013-04-01

Device-grade TlBr was subjected to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl2, Br:MeOH, and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p, and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

A receptor-grounded approach to teaching nonsteroidal antiinflammatory drug chemistry and structure-activity relationships.

PubMed

Roche, Victoria F

2009-12-17

To describe a receptor-based approach to promote learning about nonsteroidal anti-inflammatory drug (NSAID) chemistry, structure-activity relationships, and therapeutic decision-making. Three lessons on cyclooxygenase (COX) and NSAID chemistry, and NSAID therapeutic utility, were developed using text-based resources and primary medicinal chemistry and pharmacy practice literature. Learning tools were developed to assist students in content mastery. Student learning was evaluated via performance on quizzes and examinations that measured understanding of COX and NSAID chemistry, and the application of that knowledge to therapeutic problem solving. Student performance on NSAID-focused quizzes and examinations documented the success of this approach.