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Sample records for advanced inorganic chemistry

  1. Adapting Advanced Inorganic Chemistry Lecture and Laboratory Instruction for a Legally Blind Student

    ERIC Educational Resources Information Center

    Miecznikowski, John R.; Guberman-Pfeffer, Matthew J.; Butrick, Elizabeth E.; Colangelo, Julie A.; Donaruma, Cristine E.

    2015-01-01

    In this article, the strategies and techniques used to successfully teach advanced inorganic chemistry, in the lecture and laboratory, to a legally blind student are described. At Fairfield University, these separate courses, which have a physical chemistry corequisite or a prerequisite, are taught for junior and senior chemistry and biochemistry…

  2. Science Update: Inorganic Chemistry.

    ERIC Educational Resources Information Center

    Rawls, Rebecca

    1981-01-01

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

  3. Science Update: Inorganic Chemistry

    ERIC Educational Resources Information Center

    Rawls, Rebecca

    1978-01-01

    This first in a series of articles describing the state of the art of various branches of chemistry reviews inorganic chemistry, including bioinorganic, photochemistry, organometallic, and solid state chemistries. (SL)

  4. Introduction to Homogenous Catalysis with Ruthenium-Catalyzed Oxidation of Alcohols: An Experiment for Undergraduate Advanced Inorganic Chemistry Students

    ERIC Educational Resources Information Center

    Miecznikowski, John R.; Caradonna, John P.; Foley, Kathleen M.; Kwiecien, Daniel J.; Lisi, George P.; Martinez, Anthony M.

    2011-01-01

    A three-week laboratory experiment, which introduces students in an advanced inorganic chemistry course to air-sensitive chemistry and catalysis, is described. During the first week, the students synthesize RuCl[subscript 2](PPh[subscript 3])[subscript 3]. During the second and third weeks, the students characterize the formed coordination…

  5. Ruthenium Vinylidene and Acetylide Complexes. An Advanced Undergraduate Multi-technique Inorganic/Organometallic Chemistry Experiment

    NASA Astrophysics Data System (ADS)

    McDonagh, Andrew M.; Deeble, Geoffrey J.; Hurst, Steph; Cifuentes, Marie P.; Humphrey, Mark G.

    2001-02-01

    This experiment describes the isolation and characterization of complexes containing examples of two important monohapto ligands, namely vinylidene (C=CHR) and alkynyl (C ? CR) ligands. The former is a tautomer of acetylene that has minimal (10-10 s) existence as an uncomplexed molecule, providing an interesting example of the stabilization of reactive organic species at transition metals--an important motif in organometallic chemistry. The latter ligand affords complexes that have attracted a great deal of interest recently for their potentially useful electronic or optical properties, illustrating a major focus of contemporary organometallic chemistry, the search for useful materials. The particular strength of this experiment is in demonstrating the utility of a range of spectroscopic and analytical techniques in inorganic complex identification. The students observe unusual chemical shifts in the 13C NMR (vinylidene metal-bound carbon), meet heteronuclear NMR (31P), assign intense metal-to-ligand charge transfer (MLCT) bands in the UV-visible spectra, observe the utility of mass spectra in characterizing complexes of poly-isotopic transition metals, and are introduced to redox potentials (cyclic voltammetry).

  6. Plasma chemistry for inorganic materials

    NASA Technical Reports Server (NTRS)

    Matsumoto, O.

    1980-01-01

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

  7. Applications of Inorganic Chemistry in Biology: An Interdisciplinary Graduate Course

    NASA Astrophysics Data System (ADS)

    Farrell, Nicholas; Ross, Paul; Roat, Rosette M.

    1998-06-01

    Inorganic chemistry faculty at Virginia Commonwealth University (VCU) are offering an advanced, interdisciplinary, graduate course entitled "Applications of Inorganic Chemistry in Biology". The course utilizes examples from bioinorganic chemistry to introduce advanced topics in synthesis, structural analysis, and analytical methods that are practiced by inorganic chemists. Emphasis is placed on the structure and function of trace and ultratrace transition metals in biological systems and on the use of metals for medicinal purposes. Instrumental techniques such as electron paramagnetic resonance, Mössbauer spectroscopy, and X-ray crystallography are explained in the detail necessary to familiarize students with their use for analysis of bioinorganic systems and their models. Students have take-home examinations during the term and write a term paper describing a metalloprotein whose X-ray structure data is listed in Brookhaven protein data base. The paper follows the same course pattern of classroom discussion of a bioinorganic system, concentrating on the coordination geometry and nearest neighbor contacts of the metal-binding site in the protein, substrate binding site, and relevance to the metalloprotein or enzyme function, mechanism of action of the enzyme or protein, spectroscopic studies on the metal-binding site, and model studies for the protein's metal-binding site. The instructors conclude that their basic goals for the course - introduction to advanced inorganic chemistry topics using bioinorganic examples with emphasis on primary literature sources and computer-assisted displays - are being accomplished.

  8. Synthesis and Characterization of Europium(III) and Terbium(III) Complexes: An Advanced Undergraduate Inorganic Chemistry Experiment

    ERIC Educational Resources Information Center

    Swavey, Shawn

    2010-01-01

    Undergraduate laboratories rarely involve lanthanide coordination chemistry. This is unfortunate in light of the ease with which many of these complexes are made and the interesting and instructive photophysical properties they entail. The forbidden nature of the 4f transitions associated with the lanthanides is overcome by incorporation of…

  9. Foundation Coursework in Undergraduate Inorganic Chemistry: Results from a National Survey of Inorganic Chemistry Faculty

    ERIC Educational Resources Information Center

    Raker, Jeffrey R.; Reisner, Barbara A.; Smith, Sheila R.; Stewart, Joanne L.; Crane, Johanna L.; Pesterfield, Les; Sobel, Sabrina G.

    2015-01-01

    A national survey of inorganic chemists explored the self-reported topics covered in foundation-level courses in inorganic chemistry at the postsecondary level; the American Chemical Society's Committee on Professional Training defines a foundation course as one at the conclusion of which, "a student should have mastered the vocabulary,…

  10. Inorganic Chemistry from the Perspective of an Industrial Chemist.

    ERIC Educational Resources Information Center

    Laudise, R. A.

    1980-01-01

    Presents a very brief description of solid state chemistry, its industrial applications, and rationale for its inclusion in the inorganic chemistry curriculum. The topic is intellectually challenging, economically useful and, in the view of the author, fun. (Author/JN)

  11. Inorganic Chemistry Solutions to Semiconductor Nanocrystal Problems

    SciTech Connect

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

    2014-03-15

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

  12. Advanced Chemistry Basins Model

    SciTech Connect

    William Goddard; Mario Blanco; Lawrence Cathles; Paul Manhardt; Peter Meulbroek; Yongchun Tang

    2002-11-10

    The DOE-funded Advanced Chemistry Basin model project is intended to develop a public domain, user-friendly basin modeling software under PC or low end workstation environment that predicts hydrocarbon generation, expulsion, migration and chemistry. The main features of the software are that it will: (1) afford users the most flexible way to choose or enter kinetic parameters for different maturity indicators; (2) afford users the most flexible way to choose or enter compositional kinetic parameters to predict hydrocarbon composition (e.g., gas/oil ratio (GOR), wax content, API gravity, etc.) at different kerogen maturities; (3) calculate the chemistry, fluxes and physical properties of all hydrocarbon phases (gas, liquid and solid) along the primary and secondary migration pathways of the basin and predict the location and intensity of phase fractionation, mixing, gas washing, etc.; and (4) predict the location and intensity of de-asphaltene processes. The project has be operative for 36 months, and is on schedule for a successful completion at the end of FY 2003.

  13. Tuberculosis: An Inorganic Medicinal Chemistry Perspective.

    PubMed

    Viganor, Livia; Skerry, Ciaran; McCann, Malachy; Devereux, Michael

    2015-01-01

    Tuberculosis (TB) which is caused by the resilient pathogen Mycobacterium tuberculosis (MTB) has re-emerged to become a leading public health problem in the world. The growing number of multi-drug resistant MTB strains and the more recently emerging problem with the extensively drug resistant strains of the pathogen are greatly undermining conventional anti-TB therapeutic strategies which are lengthy and expose patients to toxicity and other unwanted side effects. The search for new anti-TB drugs essentially involves either the repurposing of existing organic drugs which are now off patent and already FDA approved, the synthesis of modified analogues of existing organic drugs, with the aim of shortening and improving drug treatment for the disease, or the search for novel structures that offer the possibility of new mechanisms of action against the mycobacterium. Inorganic medicinal chemistry offers an alternative to organic drugs through opportunities for the design of therapeutics that target different biochemical pathways. The incorporation of metal ions into the molecular structure of a potential drug offers the medicinal chemist an opportunity to exploit structural diversity, have access to various oxidation states of the metal and also offer the possibility of enhancing the activity of an established organic drug through its coordination to the metal centre. In this review, we summarize what is currently known about the antitubercular capability of metal complexes, their mechanisms of action and speculate on their potential applications in the clinic.

  14. Tuberculosis: An Inorganic Medicinal Chemistry Perspective.

    PubMed

    Viganor, Livia; Skerry, Ciaran; McCann, Malachy; Devereux, Michael

    2015-01-01

    Tuberculosis (TB) which is caused by the resilient pathogen Mycobacterium tuberculosis (MTB) has re-emerged to become a leading public health problem in the world. The growing number of multi-drug resistant MTB strains and the more recently emerging problem with the extensively drug resistant strains of the pathogen are greatly undermining conventional anti-TB therapeutic strategies which are lengthy and expose patients to toxicity and other unwanted side effects. The search for new anti-TB drugs essentially involves either the repurposing of existing organic drugs which are now off patent and already FDA approved, the synthesis of modified analogues of existing organic drugs, with the aim of shortening and improving drug treatment for the disease, or the search for novel structures that offer the possibility of new mechanisms of action against the mycobacterium. Inorganic medicinal chemistry offers an alternative to organic drugs through opportunities for the design of therapeutics that target different biochemical pathways. The incorporation of metal ions into the molecular structure of a potential drug offers the medicinal chemist an opportunity to exploit structural diversity, have access to various oxidation states of the metal and also offer the possibility of enhancing the activity of an established organic drug through its coordination to the metal centre. In this review, we summarize what is currently known about the antitubercular capability of metal complexes, their mechanisms of action and speculate on their potential applications in the clinic. PMID:25850770

  15. Revised First-Year Curriculum with an Inorganic Chemistry Course

    NASA Astrophysics Data System (ADS)

    Long, Kenneth M.

    2003-10-01

    The chemistry faculty revised the first-year curriculum to deal with several perceived problems: (i) students who mistakenly thought they already understood general chemistry, (ii) students who were inadequately prepared for general chemistry, and (iii) the department's need to more adequately meet the inorganic guidelines of the ACS Committee on Professional Training. Three new courses were devised to address these problems: an introductory foundations course, a one-semester accelerated principles course, and a first-year inorganic course that includes a great deal of descriptive chemistry in the class and laboratory. Each course is described briefly.

  16. Advances in analytical chemistry

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

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

  17. In-Depth Coursework in Undergraduate Inorganic Chemistry: Results from a National Survey of Inorganic Chemistry Faculty

    ERIC Educational Resources Information Center

    Raker, Jeffrey R.; Reisner, Barbara A.; Smith, Sheila R.; Stewart, Joanne L.; Crane, Johanna L.; Pesterfield, Les; Sobel, Sabrina G.

    2015-01-01

    A national survey of inorganic chemists explored the self-reported topics covered in in-depth inorganic chemistry courses at the postsecondary level; an in-depth course is defined by the American Chemical Society's Committee on Professional Training as a course that integrates and covers topics that were introduced in introductory and foundation…

  18. Diversity and Periodicity: An Inorganic Chemistry Module. Teacher's Guide.

    ERIC Educational Resources Information Center

    Huheey, James; Sandoval, Amado

    This teacher's guide is designed to provide science teachers with the necessary guidance and suggestions for teaching inorganic chemistry. The material in this book can be integrated with the other modules in a sequence that helps students to see that chemistry is a unified science. Contents include: (1) "Periodicity: A Chemical Calendar"; (2)…

  19. Diversity and Periodicity: An Inorganic Chemistry Module.

    ERIC Educational Resources Information Center

    Huheey, James

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

  20. A Piaget Learning-Cycle Laboratory Approach to Teaching Descriptive Inorganic Chemistry.

    ERIC Educational Resources Information Center

    Wulfsberg, Gary

    1983-01-01

    Describes a series of laboratory experiments designed to provide concrete experiences with advanced inorganic chemistry lecture topics. Stresses student invention of chemical relationships and periodicity according to physical properties and reaction type. Includes comments on student performance and attitudes toward the experiments. (JM)

  1. Inorganic Chemistry: A Prestigious History and a Bright Future.

    PubMed

    Yam, Vivian Wing-Wah

    2015-07-13

    "…︁Inorganic chemistry has evolved from fundamental studies to the forefronts of interdisciplinary research. What was considered to be impossible or elusive has now become feasible. While we still keep our identity as inorganic chemists, the sharp demarcation between the divisions of different subject disciplines or subdisciplines is no longer relevant …︁" Read more in the Editorial by Vivian W.-W. Yam.

  2. Alfred Werner's role in the mid-20th century flourishing of American inorganic chemistry.

    PubMed

    Labinger, Jay A

    2014-01-01

    The development of organic and physical chemistry as specialist fields, during the middle and end of the 19th century respectively, left inorganic behind as a decidedly less highly regarded subfield of chemistry. Despite Alfred Werner's groundbreaking studies of coordination chemistry in the early 20th century, that inferior status remained in place - particularly in the US - until the 1950s, when the beginnings of a resurgence that eventually restored its parity with the other subfields can be clearly observed. This paper explores the extent to which Werner's heritage - both direct, in the form of academic descendants, and indirect - contributed to those advances. PMID:24983802

  3. Essential Trends in Inorganic Chemistry (by D. M. P. Mingos)

    NASA Astrophysics Data System (ADS)

    Phillips, Reviewed By David A.

    2000-05-01

    The author has chosen to present his material in a distinctly different fashion from that of most inorganic chemistry textbook writers. Most texts are a mix of theory chapters and descriptive chapters, with the latter focusing on specific groups of elements. However, after a chapter laying out the quantum mechanical basis of the periodic table, Mingos has elected to organize the remaining chapters around vertical, horizontal, and diagonal relationships, or on isoelectronic and isostoichiometric relationships. I think this approach has worked remarkably well. Chapters 2-5 contain a wealth of information accompanied by clear, coherent discussions of the underlying principles that account for the observed trends and anomalies. Every serious inorganic chemist should have a copy of this text on his or her bookshelf. Chapter 1 is the least effective part of the book. Some of the quantum number notation is incorrect (m rather than ml , s rather than ms), some of the language is imprecise, and there are a few clear-cut errors. There is a nice discussion comparing the rmax of 2s and 2p vs 3s and 3p orbitals. However, most readers would be better served by the treatments in advanced inorganic texts such as those by Shriver or Huheey. Chapter 2 addresses vertical trends in the main-group elements. After discussing the influence of atomic size on atomic properties, Mingos describes and explains the second-row anomalies and the reversals in trends resulting from the addition of 3d and 4f subshells. He goes on to account for a variety of trends in the physical and chemical properties of main-group elements and their compounds. The chapter ends with tables summarizing a wide variety of properties, providing a wealth of information I have not seen presented in such a compact format anywhere else. Chapter 3 addresses the horizontal trends and diagonal relationships of the main-group elements. Among the highlights are discussions of the role of exchange energies in determining

  4. Nobel Chemistry in the Laboratory: Synthesis of a Ruthenium Catalyst for Ring-Closing Olefin Metathesis--An Experiment for the Advanced Inorganic or Organic Laboratory

    ERIC Educational Resources Information Center

    Greco, George E.

    2007-01-01

    An experiment for the upper-level undergraduate laboratory is described in which students synthesize a ruthenium olefin metathesis catalyst, then use the catalyst to carry out the ring-closing metathesis of diethyl diallylmalonate. The olefin metathesis reaction was the subject of the 2005 Nobel Prize in chemistry. The catalyst chosen for this…

  5. Underscoring the influence of inorganic chemistry on nuclear imaging with radiometals.

    PubMed

    Zeglis, Brian M; Houghton, Jacob L; Evans, Michael J; Viola-Villegas, Nerissa; Lewis, Jason S

    2014-02-17

    Over the past several decades, radionuclides have matured from largely esoteric and experimental technologies to indispensible components of medical diagnostics. Driving this transition, in part, have been mutually necessary advances in biomedical engineering, nuclear medicine, and cancer biology. Somewhat unsung has been the seminal role of inorganic chemistry in fostering the development of new radiotracers. In this regard, the purpose of this Forum Article is to more visibly highlight the significant contributions of inorganic chemistry to nuclear imaging by detailing the development of five metal-based imaging agents: (64)Cu-ATSM, (68)Ga-DOTATOC, (89)Zr-transferrin, (99m)Tc-sestamibi, and (99m)Tc-colloids. In a concluding section, several unmet needs both in and out of the laboratory will be discussed to stimulate conversation between inorganic chemists and the imaging community.

  6. Underscoring the Influence of Inorganic Chemistry on Nuclear Imaging with Radiometals

    PubMed Central

    Zeglis, Brian M.; Houghton, Jacob L.; Evans, Michael J.; Viola-Villegas, Nerissa; Lewis, Jason S.

    2014-01-01

    Over the past several decades, radionuclides have matured from largely esoteric and experimental technologies to indispensible components of medical diagnostics. Driving this transition, in part, have been mutually necessary advances in biomedical engineering, nuclear medicine, and cancer biology. Somewhat unsung has been the seminal role of inorganic chemistry in fostering the development of new radiotracers. In this regard, the purpose of this Forum Article is to more visibly highlight the significant contributions of inorganic chemistry to nuclear imaging by detailing the development of five metal-based imaging agents: 64Cu-ATSM, 68Ga-DOTATOC, 89Zr-transferrin, 99mTc-sestamibi, and 99mTc-colloids. In a concluding section, several unmet needs both in and out of the laboratory will be discussed to stimulate conversation between inorganic chemists and the imaging community. PMID:24313747

  7. Advanced Chemistry Basins Model

    SciTech Connect

    Blanco, Mario; Cathles, Lawrence; Manhardt, Paul; Meulbroek, Peter; Tang, Yongchun

    2003-02-13

    The objective of this project is to: (1) Develop a database of additional and better maturity indicators for paleo-heat flow calibration; (2) Develop maturation models capable of predicting the chemical composition of hydrocarbons produced by a specific kerogen as a function of maturity, heating rate, etc.; assemble a compositional kinetic database of representative kerogens; (3) Develop a 4 phase equation of state-flash model that can define the physical properties (viscosity, density, etc.) of the products of kerogen maturation, and phase transitions that occur along secondary migration pathways; (4) Build a conventional basin model and incorporate new maturity indicators and data bases in a user-friendly way; (5) Develop an algorithm which combines the volume change and viscosities of the compositional maturation model to predict the chemistry of the hydrocarbons that will be expelled from the kerogen to the secondary migration pathways; (6) Develop an algorithm that predicts the flow of hydrocarbons along secondary migration pathways, accounts for mixing of miscible hydrocarbon components along the pathway, and calculates the phase fractionation that will occur as the hydrocarbons move upward down the geothermal and fluid pressure gradients in the basin; and (7) Integrate the above components into a functional model implemented on a PC or low cost workstation.

  8. Advanced fuel chemistry for advanced engines.

    SciTech Connect

    Taatjes, Craig A.; Jusinski, Leonard E.; Zador, Judit; Fernandes, Ravi X.; Miller, James A.

    2009-09-01

    Autoignition chemistry is central to predictive modeling of many advanced engine designs that combine high efficiency and low inherent pollutant emissions. This chemistry, and especially its pressure dependence, is poorly known for fuels derived from heavy petroleum and for biofuels, both of which are becoming increasingly prominent in the nation's fuel stream. We have investigated the pressure dependence of key ignition reactions for a series of molecules representative of non-traditional and alternative fuels. These investigations combined experimental characterization of hydroxyl radical production in well-controlled photolytically initiated oxidation and a hybrid modeling strategy that linked detailed quantum chemistry and computational kinetics of critical reactions with rate-equation models of the global chemical system. Comprehensive mechanisms for autoignition generally ignore the pressure dependence of branching fractions in the important alkyl + O{sub 2} reaction systems; however we have demonstrated that pressure-dependent 'formally direct' pathways persist at in-cylinder pressures.

  9. 2010 INORGANIC CHEMISTRY GORDON RESEARCH CONFERENCE JUNE 20 - 25, 2010

    SciTech Connect

    JOHN LOCKEMEYER

    2010-06-25

    The Inorganic Chemistry GRC is one of the longest-standing of the GRCs, originating in 1951. Over the years, this conference has played a role in spawning many other GRCs in specialized fields, due to the involvement of elements from most of the periodic table. These include coordination, organometallic, main group, f-element, and solid state chemistries; materials science, catalysis, computational chemistry, nanotechnology, bioinorganic, environmental, and biomedical sciences just to name a few. The 2010 Inorganic Chemistry GRC will continue this tradition, where scientists at all levels from academic, industrial, and national laboratories meet to define the important problems in the field and to highlight emerging opportunities through exchange of ideas and discussion of unpublished results. Invited speakers will present on a wide variety of topics, giving attendees a look at areas both inside and outside of their specialized areas of interest. In addition to invited speakers, the poster sessions at GRCs are a key feature of the conference. All conferees at the Inorganic Chemistry GRC are invited to present a poster on their work, and here the informal setting promotes the free exchange of ideas and fosters new relationships. As in previous years, we will offer poster presenters the opportunity to compete for one of several program spots in which they can give an oral presentation based on the subject matter of their poster. This is a great way to get your work noticed by the scientists attending the meeting, especially for those early in their career path such as junior faculty members, postdoctoral fellows, and those at comparable ranks. Anyone interested in participating in the poster competition should bring an electronic slide presentation and a small hard copy of their poster to submit to the committee.

  10. Recent Advances in Azaborine Chemistry

    PubMed Central

    Campbell, Patrick G.; Marwitz, Adam J. V.

    2013-01-01

    The chemistry of organoboron compounds has been primarily dominated by their use as powerful reagents in synthetic organic chemistry. Recently, the incorporation of boron as part of a functional target structure has emerged as a useful way to generate diversity in organic compounds. A commonly applied strategy is the replacement of a CC unit with its isoelectronic BN unit. In particular, the BN/CC isosterism of the ubiquitous arene motif has undergone a renaissance in the past decade. The parent molecule of the 1,2-dihydro-1,2-azaborine family has now been isolated. New mono- and polycyclic BN heterocycles have been synthesized for potential use in biomedical and materials science applications. This review is a tribute to Dewar's first synthesis of a monocyclic 1,2-dihydro-1,2-azaborine 50 years ago and discusses recent advances in the synthesis and characterization of carbon(C)-boron(B)-nitrogen(N)-containing heterocycles. PMID:22644658

  11. Inorganic Chemistry in Hydrogen Storage and Biomass Catalysis

    SciTech Connect

    Thorn, David

    2012-06-13

    Making or breaking C-H, B-H, C-C bonds has been at the core of catalysis for many years. Making or breaking these bonds to store or recover energy presents us with fresh challenges, including how to catalyze these transformations in molecular systems that are 'tuned' to minimize energy loss and in molecular and material systems present in biomass. This talk will discuss some challenging transformations in chemical hydrogen storage, and some aspects of the inorganic chemistry we are studying in the development of catalysts for biomass utilization.

  12. A refuge for inorganic chemistry: Bunsen's Heidelberg laboratory.

    PubMed

    Nawa, Christine

    2014-05-01

    Immediately after its opening in 1855, Bunsen's Heidelberg laboratory became iconic as the most modern and best equipped laboratory in Europe. Although comparatively modest in size, the laboratory's progressive equipment made it a role model for new construction projects in Germany and beyond. In retrospect, it represents an intermediate stage of development between early teaching facilities, such as Liebig's laboratory in Giessen, and the new 'chemistry palaces' that came into existence with Wöhler's Göttingen laboratory of 1860. As a 'transition laboratory,' Bunsen's Heidelberg edifice is of particular historical interest. This paper explores the allocation of spaces to specific procedures and audiences within the laboratory, and the hierarchies and professional rites of passage embedded within it. On this basis, it argues that the laboratory in Heidelberg was tailored to Bunsen's needs in inorganic and physical chemistry and never aimed at a broad-scale representation of chemistry as a whole. On the contrary, it is an example of early specialisation within a chemical laboratory preceding the process of differentiation into chemical sub-disciplines. Finally, it is shown that the relatively small size of this laboratory, and the fact that after ca. 1860 no significant changes were made within the building, are inseparably connected to Bunsen's views on chemistry teaching.

  13. THE ADVANCED CHEMISTRY BASINS PROJECT

    SciTech Connect

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

    2004-04-05

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

  14. Rotor-Shaped Cyclopentadienyltetraphenyl-Cyclobutadienecobalt: An Advanced Inorganic Experiment

    ERIC Educational Resources Information Center

    MacFarland, Darren K.; Gorodetzer, Rebecca

    2005-01-01

    Organometallic complex synthesis in advanced inorganic or organic courses usually begin with the synthesis of ferrocene. A synthetic experiment of an alternative compound that has a more interesting structure and the same air stability that makes ferrocene desirable is presented.

  15. Elucidation of the inorganic chemistry of hydrotreating catalysts

    SciTech Connect

    DeCanio, E.C.; Edwards, J.C.; Storm, D.A.; Bruno, J.W.

    1993-12-31

    New environmental regulations are making it necessary to developed improved hydrotreating catalysts for the removal of sulfur, nitrogen and aromatics from refinery streams. In order to develop better catalysts, the authors must gain a more detailed understanding of the inorganic chemistry of these catalysts. Commercial catalysts typically contain ca. 15 wt% molybdenum or tungsten oxides and ca. 4 wt% nickel or cobalt. Additives, such as phosphate and fluoride, are often added to improve the catalytic activity. However, the role of these additives is not fully understood. The authors have, therefore, carried out studies on alumina supported phosphate and flouride materials using FT-IR, powder x-ray diffraction, and solid-state NMR ({sup 31}P, {sup 27}Al, and {sup 1}H). The results of this work have enabled the authors to determine the structures of the various compounds formed on the alumina system when fluoride or phosphate is present.

  16. 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…

  17. The Role of Upperclass Chemistry Students in Developing a New Sophomore-Level Inorganic Course.

    ERIC Educational Resources Information Center

    Rodgers, Glen E.

    1984-01-01

    Chemistry students selected a main group of the periodic table, researched the group, and then presented a 70-minute lecture on the group; conducted two lecture demonstrations; and performed two laboratory experiments. This was done to determine what descriptive chemistry should be included in a new sophomore-level inorganic chemistry course. (JN)

  18. Chemistry of Mesoporous Organosilica in Nanotechnology: Molecularly Organic-Inorganic Hybridization into Frameworks.

    PubMed

    Chen, Yu; Shi, Jianlin

    2016-05-01

    Organic-inorganic hybrid materials aiming to combine the individual advantages of organic and inorganic components while overcoming their intrinsic drawbacks have shown great potential for future applications in broad fields. In particular, the integration of functional organic fragments into the framework of mesoporous silica to fabricate mesoporous organosilica materials has attracted great attention in the scientific community for decades. The development of such mesoporous organosilica materials has shifted from bulk materials to nanosized mesoporous organosilica nanoparticles (designated as MONs, in comparison with traditional mesoporous silica nanoparticles (MSNs)) and corresponding applications in nanoscience and nanotechnology. In this comprehensive review, the state-of-art progress of this important hybrid nanomaterial family is summarized, focusing on the structure/composition-performance relationship of MONs of well-defined morphology, nanostructure, and nanoparticulate dimension. The synthetic strategies and the corresponding mechanisms for the design and construction of MONs with varied morphologies, compositions, nanostructures, and functionalities are overviewed initially. Then, the following part specifically concentrates on their broad spectrum of applications in nanotechnology, mainly in nanomedicine, nanocatalysis, and nanofabrication. Finally, some critical issues, presenting challenges and the future development of MONs regarding the rational synthesis and applications in nanotechnology are summarized and discussed. It is highly expected that such a unique molecularly organic-inorganic nanohybrid family will find practical applications in nanotechnology, and promote the advances of this discipline regarding hybrid chemistry and materials.

  19. Modeling skills of pre-service chemistry teachers in predicting the structure and properties of inorganic chemistry compounds

    NASA Astrophysics Data System (ADS)

    Nursa'adah, Euis; Liliasari, Mudzakir, Ahmad

    2016-02-01

    The focus of chemistry is learning about the composition, properties, and transformations of matters. Modeling skills are required to comprehend structure and chemical composition in submicroscopic size. Modeling skills are abilities to produce chemical structure and to explain it into the macroscopic phenomenon and submicroscopic representations. Inorganic chemistry is a study of whole elements in the periodic table and their compounds, except carbon compounds and their derivatives. Knowledge about the structure and properties of chemical substances is a basic model for students in studying inorganic chemistry. Furthermore, students can design and produce to utilize materials needed in their life. This research aimed to describes modeling skills of pre-service chemistry teachers. In order, they are able to determine and synthesize useful materials. The results show that students' modeling skills were in a low level and unable connecting skill categories, even the models of inorganic compounds common. These phenomena indicated that students only describe each element when they learn inorganic chemistry. So that it will make modeling skills of students low. Later, another researches are necessary to develop learning design of inorganic chemistry based on good modeling skills of students.

  20. Infrared Spectra of Simple Inorganic Ion Pairs in Solid Solution: A Physical Inorganic Chemistry Experiment.

    ERIC Educational Resources Information Center

    Miller, Philip J.; Tong, William G.

    1980-01-01

    Presents a physical inorganic experiment in which large single crystals of the alkali halides doped with divalent ion impurities are prepared easily. Demonstrates the ion pairing of inorganic ions in solid solution. (CS)

  1. Computer Series, 106. KC? Discoverer. A Computer Program for Descriptive Inorganic Chemistry.

    ERIC Educational Resources Information Center

    Kotz, John C.

    1989-01-01

    Described is an interactive database of chemical information called "KC? Discoverer: Exploring the Periodic Table." An overview of the program and details of specific functions are given. The uses of this program in teaching undergraduate inorganic chemistry are stressed. (CW)

  2. Ionic Radius: Its Development and Use in the Teaching of Inorganic Chemistry.

    ERIC Educational Resources Information Center

    Lewis, J. I; Waddling, R. E. L.

    1986-01-01

    The topic of ionic radius is generally given scant treatment in modern textbooks. Therefore, this article reviews some historical work and illustrates some of the applications of ionic radii in the teaching of inorganic chemistry. (JN)

  3. Report of the Polymer Core Course Committee: Inclusion of Polymer Topics into Undergraduate Inorganic Chemistry Courses.

    ERIC Educational Resources Information Center

    Miller, Norman E.; And Others

    1984-01-01

    Suggests polymer topics for study in inorganic chemistry courses. Commercial materials (including list of inorganic compounds utilized in polymer industry), anchored metal catalysis, polymers modified or formed by coordination, polysiloxanes, phosphazene or phosphonitrilic halide polymers, and hetergeneous polymerization catalysts are considered.…

  4. Advanced Placement Chemistry: Project Advance and the Advanced Placement Program: A Comparison of Students' Performance on the AP Chemistry Examination.

    ERIC Educational Resources Information Center

    Mercurio, Joseph; And Others

    1984-01-01

    Compared performance of Syracuse University Project Advance (PA) chemistry students (N=35) with advanced placement (AP) candidates on the AP chemistry examination. PA students scored slightly above the national average on the examination, and students who performed well (B or better) in AP chemistry also did well on the examination. (JN)

  5. An Alternative Educational Approach for an Inorganic Chemistry Laboratory Course in Industrial and Chemical Engineering

    ERIC Educational Resources Information Center

    Garces, Andres; Sanchez-Barba, Luis Fernando

    2011-01-01

    We describe an alternative educational approach for an inorganic chemistry laboratory module named "Experimentation in Chemistry", which is included in Industrial Engineering and Chemical Engineering courses. The main aims of the new approach were to reduce the high levels of failure and dropout on the module and to make the content match the…

  6. Integrating Bio-Inorganic and Analytical Chemistry into an Undergraduate Biochemistry Laboratory

    ERIC Educational Resources Information Center

    Erasmus, Daniel J.; Brewer, Sharon E.; Cinel, Bruno

    2015-01-01

    Undergraduate laboratories expose students to a wide variety of topics and techniques in a limited amount of time. This can be a challenge and lead to less exposure to concepts and activities in bio-inorganic chemistry and analytical chemistry that are closely-related to biochemistry. To address this, we incorporated a new iron determination by…

  7. Six Impossible Mechanisms before Breakfast: Arrow Pushing as an Instructional Device in Inorganic Chemistry

    ERIC Educational Resources Information Center

    Berg, Steffen; Ghosh, Abhik

    2013-01-01

    In a recent article by the authors, the suggestion was made that arrow pushing, a widely used tool in organic chemistry, could also be profitably employed in the teaching of introductory inorganic chemistry. A number of relatively simple reactions were used to illustrate this thesis, raising the question whether the same approach might rationalize…

  8. Degradation of Environmental Contaminants with Water-Soluble Cobalt Catalysts: An Integrative Inorganic Chemistry Investigation

    ERIC Educational Resources Information Center

    Evans, Alexandra L.; Messersmith, Reid E.; Green, David B.; Fritsch, Joseph M.

    2011-01-01

    We present an integrative laboratory investigation incorporating skills from inorganic chemistry, analytical instrumentation, and physical chemistry applied to a laboratory-scale model of the environmental problem of chlorinated ethylenes in groundwater. Perchloroethylene (C[subscript 2]Cl[subscript 4], PCE) a common dry cleaning solvent,…

  9. Advancing manufacturing through computational chemistry

    SciTech Connect

    Noid, D.W.; Sumpter, B.G.; Tuzun, R.E.

    1995-12-31

    The capabilities of nanotechnology and computational chemistry are reaching a point of convergence. New computer hardware and novel computational methods have created opportunities to test proposed nanometer-scale devices, investigate molecular manufacturing and model and predict properties of new materials. Experimental methods are also beginning to provide new capabilities that make the possibility of manufacturing various devices with atomic precision tangible. In this paper, we will discuss some of the novel computational methods we have used in molecular dynamics simulations of polymer processes, neural network predictions of new materials, and simulations of proposed nano-bearings and fluid dynamics in nano- sized devices.

  10. Systematic Inorganic Reaction Chemistry: Inorganic Reaction Types, General Methods of Synthesis, and the Periodic Table.

    ERIC Educational Resources Information Center

    Basolo, Fred

    1980-01-01

    Describes two approaches for teaching inorganic reactions and syntheses without having students memorize specific reactions. Briefly indicates topics which should be covered in a junior-senior level course but not at the expense of eliminating teaching students how to make basic inorganic compounds. (Author/JN)

  11. Photoelectron Spectroscopy in Advanced Placement Chemistry

    ERIC Educational Resources Information Center

    Benigna, James

    2014-01-01

    Photoelectron spectroscopy (PES) is a new addition to the Advanced Placement (AP) Chemistry curriculum. This article explains the rationale for its inclusion, an overview of how the PES instrument records data, how the data can be analyzed, and how to include PES data in the course. Sample assessment items and analysis are included, as well as…

  12. Radiation Chemistry of Advanced TALSPEAK Flowsheet

    SciTech Connect

    Mincher, Bruce; Peterman, Dean; Mcdowell, Rocklan; Olson, Lonnie; Lumetta, Gregg J.

    2013-08-28

    This report summarizes the results of initial experiments designed to understand the radiation chemistry of an Advanced TALSPEAK process for separating trivalent lanthanides form the actinides. Biphasic aerated samples were irradiated and then analyzed for post-irradiation constituent concentrations and solvent extraction distribution ratios. The effects of irradiation on the TALSPEAK and Advanced TALSPEAK solvents were similar, with very little degradation of the organic phase extractant. Decomposition products were detected, with a major product in common for both solvents. This product may be responsible for the slight increase in distribution ratios for Eu and Am with absorbed dose, however; separation factors were not greatly affected.

  13. A Visually Attractive "Interconnected Network of Ideas" for Organizing the Teaching and Learning of Descriptive Inorganic Chemistry

    ERIC Educational Resources Information Center

    Rodgers, Glen E.

    2014-01-01

    A visually attractive interconnected network of ideas that helps general and second-year inorganic chemistry students make sense of the descriptive inorganic chemistry of the main-group elements is presented. The eight network components include the periodic law, the uniqueness principle, the diagonal effect, the inert-pair effect, the…

  14. Experimental and Theoretical Studies of Atmosphereic Inorganic Chlorine Chemistry

    NASA Technical Reports Server (NTRS)

    Sander, Stanley P.; Friedl, Randall R.

    1993-01-01

    Over the last five years substantial progress has been made in defining the realm of new chlorine chemistry in the polar stratosphere. Application of existing experimental techniques to potentially important chlorine-containing compounds has yielded quantitative kinetic and spectroscopic data as well as qualitative mechanistic insights into the relevant reactions.

  15. Arrow Pushing: A Rational, Participatory Approach to Teaching Descriptive Inorganic Chemistry

    ERIC Educational Resources Information Center

    Berg, Steffen; Ghosh, Abhik

    2011-01-01

    Inorganic chemistry at core consists of a vast array of molecules and chemical reactions. To master the subject, students must learn to think intelligently about this vast body of facts, a feat seldom accomplished in an introductory course. All too often, young undergraduate students perceive the field as an amorphous and illogical body of…

  16. A Wiki-Based Group Project in an Inorganic Chemistry Foundation Course

    ERIC Educational Resources Information Center

    Kristian, Kathleen E.

    2015-01-01

    A semester-long group project that utilizes wiki sites to enhance collaboration was developed for a foundation course in inorganic chemistry. Through structured assignments, student groups use metal-based or metal-combating therapeutic agents as a model for applying and understanding course concepts; they also gain proficiency with scientific- and…

  17. Improving Student Achievement and Satisfaction by Adopting a Blended Learning Approach to Inorganic Chemistry

    ERIC Educational Resources Information Center

    Williams, Neil A.; Bland, Will; Christie, Gillian

    2008-01-01

    A blended learning approach to the teaching of a level 2 inorganic chemistry module is presented. Lectures were replaced by study packs, which were supported by formative on-line assessment delivered via Blackboard and a programme of 20 workshops. Learning activities written using the Lockwood format were included in the study pack to facilitate…

  18. The Inorganic Illustrator: A 3-D Graphical Supplement for Inorganic and Bioinorganic Chemistry Courses Distributed on CD-ROM

    NASA Astrophysics Data System (ADS)

    Childs, Scott L.; Hagen, Karl S.

    1996-10-01

    The visualization of molecular and solid state chemical structures in three dimensions is a particularly difficult problem for students to overcome when the primary means of communication is the two-dimensional world of textbooks, blackboards, and overhead projector screens. Recent editions of popular textbooks in organic, inorganic, and biochemistry have included stereoviews of molecules to aid the student, and stereoviews of crystal structures have been used in inorganic chemistry publications for many years. These are powerful aids for visualizing complex molecules, but with the exception of the biochemistry text mentioned above, they are limited to single, static images generally in black and white. Molecular model kits are routinely used very effectively in organic chemistry but their utility in inorganic chemistry is limited to all but the most simple molecules encountered. Now that personal computers are generally accessible and multimedia tools are starting to make an appearance in chemistry lecture halls (1), we can make our inorganic and bioinorganic chemistry and crystallography lectures come alive with the aid of the computer-based resources, which are the essence of this project. As part of this project we are accumulating a database of representative crystal structures of main group molecules, coordination complexes, organometallic compounds, small metalloproteins, bioinorganic model complexes, clusters, and solid state materials in Chem3D Plus format to be viewed with Chem3D Viewer, which is free software from Cambridge Scientific Computing. We are also generating a library of high-quality graphic images of these same molecules and structures using Cerius2 package from Molecular Simulations. These include polyhedral representations of clusters and solid state structures (see Fig. 1). Figure 1. Representation of the user interface: the title page and an example of polyhedral and ball-and-stick representation of an octanuclear iron-oxo cluster. The

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

    PubMed Central

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

    2014-01-01

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

  20. Metalloporphyrins as Oxidation Catalysts: Moving toward "Greener" Chemistry in the Inorganic Chemistry Laboratory

    ERIC Educational Resources Information Center

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

    2012-01-01

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

  1. Synthesis and Metalation of a Ligand: An Interdisciplinary Laboratory Experiment for Second-Year Organic and Introductory Inorganic Chemistry Students

    ERIC Educational Resources Information Center

    Kasting, Benjamin J.; Bowser, Andrew K.; Anderson-Wile, Amelia M.; Wile, Bradley M.

    2015-01-01

    An interdisciplinary laboratory experiment involving second-year undergraduate organic chemistry and introductory inorganic chemistry undergraduate students is described. Organic chemistry students prepare a series of amine-bis(phenols) via a Mannich reaction, and characterize their products using melting point; FTIR; and [superscript 1]H,…

  2. Integrating Advanced High School Chemistry Research with Organic Chemistry and Instrumental Methods of Analysis

    ERIC Educational Resources Information Center

    Kennedy, Brian J.

    2008-01-01

    This paper describes and discusses the unique chemistry course opportunities beyond the advanced placement-level available at a science and technology magnet high school. Students may select entry-level courses such as honors and advanced placement chemistry; they may also take electives in organic chemistry with instrumental methods of analysis;…

  3. Integrating bio-inorganic and analytical chemistry into an undergraduate biochemistry laboratory.

    PubMed

    Erasmus, Daniel J; Brewer, Sharon E; Cinel, Bruno

    2015-01-01

    Undergraduate laboratories expose students to a wide variety of topics and techniques in a limited amount of time. This can be a challenge and lead to less exposure to concepts and activities in bio-inorganic chemistry and analytical chemistry that are closely-related to biochemistry. To address this, we incorporated a new iron determination by atomic absorption spectroscopy exercise as part of a five-week long laboratory-based project on the purification of myoglobin from beef. Students were required to prepare samples for chemical analysis, operate an atomic absorption spectrophotometer, critically evaluate their iron data, and integrate these data into a study of myoglobin.

  4. Synthesis and characterization of inorganic nanostructured materials for advanced energy storage

    NASA Astrophysics Data System (ADS)

    Xie, Jin

    to the challenges. The understanding of the synergistic effect between electrolyte decomposition and electrode decomposition, nevertheless, is conspicuously lacking. To better understand the reaction chemistries in lithium oxygen batteries, I designed, synthesized, and studied heteronanostructure-based carbon-free inorganic electrodes, as well as carbon electrodes whose surfaces protected by metal oxide thin films. The new types of electrodes prove to be highly effective in minimizing parasitic reactions, reducing operation overpotentials and boosting battery lifetimes. The improved stability and well-defined electrode morphology also enabled detailed studies on the formation and decomposition of Li2O 2. To summarize, this dissertation presented the synthesis and characterization of inorganic nanostructured materials for advanced energy storage. On a practical level, the new types of materials allow for the immediate advancement of the energy storage technology. On a fundamental level, it helped to better understand reaction chemistries and fading mechanisms of battery electrodes.

  5. Structure and Bonding in Group 14 Congeners of Ethene: DFT Calculations in the Inorganic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Streit, Bennett R.; Geiger, David K.

    2005-01-01

    A computational experiment is devised for advanced inorganic laboratory course that allows the students to explore the structure and bonding patterns of ethene and some heavier analogues. The HOMO-LUMO gaps, double bond dissociation energetics, and optimized geometries of ethene, disilene, and digermene are explored.

  6. Bringing inorganic chemistry to life with inspiration from R. J. P. Williams.

    PubMed

    Hill, H Allen O; Sadler, Peter J

    2016-03-01

    Our appreciation of the scholarly ideas and thinking of Bob Williams is illustrated here by a few of the areas in which he inspired us. His journey to bring inorganic chemistry to life began with an early interest in analytical chemistry, rationalising the relative stabilities of metal coordination complexes (The Irving-Williams Series), and elucidating the organometallic redox chemistry of vitamin B12. He (and Vallee) recognised that metal ions are in energised (entatic) states in proteins and enzymes, which themselves are dynamic structures of rods and springs. He played a key role in helping Rosenberg to pave the road toward the clinic for the anticancer drug cisplatin. He believed that evolution is not just dependent on DNA, but also on the metallome. Organisms and the environment are one system: does DNA code directly for all the essential elements of life? PMID:26841789

  7. Bringing inorganic chemistry to life with inspiration from R. J. P. Williams.

    PubMed

    Hill, H Allen O; Sadler, Peter J

    2016-03-01

    Our appreciation of the scholarly ideas and thinking of Bob Williams is illustrated here by a few of the areas in which he inspired us. His journey to bring inorganic chemistry to life began with an early interest in analytical chemistry, rationalising the relative stabilities of metal coordination complexes (The Irving-Williams Series), and elucidating the organometallic redox chemistry of vitamin B12. He (and Vallee) recognised that metal ions are in energised (entatic) states in proteins and enzymes, which themselves are dynamic structures of rods and springs. He played a key role in helping Rosenberg to pave the road toward the clinic for the anticancer drug cisplatin. He believed that evolution is not just dependent on DNA, but also on the metallome. Organisms and the environment are one system: does DNA code directly for all the essential elements of life?

  8. Advanced Branching Control and Characterization of Inorganic Semiconducting Nanocrystals

    SciTech Connect

    Hughes, Steven Michael

    2007-01-01

    The ability to finely tune the size and shape of inorganic semiconducting nanocrystals is an area of great interest, as the more control one has, the more applications will be possible for their use. The first two basic shapes develped in nanocrystals were the sphere and the anistropic nanorod. the II_VI materials being used such as Cadmium Selenide (CdSe) and Cadmium Telluride (CdTe), exhibit polytypism, which allows them to form in either the hexagonally packed wurtzite or cubically packed zinc blende crystalline phase. The nanorods are wurtzite with the length of the rod growing along the c-axis. As this grows, stacking faults may form, which are layers of zinc blende in the otherwise wurtzite crystal. Using this polytypism, though, the first generation of branched crystals were developed in the form of the CdTe tetrapod. This is a nanocrystal that nucleates in the zincblend form, creating a tetrahedral core, on which four wurtzite arms are grown. This structure opened up the possibility of even more complex shapes and applications. This disseration investigates the advancement of branching control and further understanding the materials polytypism in the form of the stacking faults in nanorods.

  9. Simulating Secondary Inorganic Aerosols using the chemistry transport model MOCAGE version R2.15.0

    NASA Astrophysics Data System (ADS)

    Guth, J.; Josse, B.; Marécal, V.; Joly, M.

    2015-04-01

    In this study we develop a Secondary Inorganic Aerosol (SIA) module for the chemistry transport model MOCAGE developed at CNRM. Based on the thermodynamic equilibrium module ISORROPIA II, the new version of the model is evaluated both at the global scale and at the regional scale. The results show high concentrations of secondary inorganic aerosols in the most polluted regions being Europe, Asia and the eastern part of North America. Asia shows higher sulfate concentrations than other regions thanks to emissions reduction in Europe and North America. Using two simulations, one with and the other without secondary inorganic aerosol formation, the model global outputs are compared to previous studies, to MODIS AOD retrievals, and also to in situ measurements from the HTAP database. The model shows a better agreement in all geographical regions with MODIS AOD retrievals when introducing SIA. It also provides a good statistical agreement with in situ measurements of secondary inorganic aerosol composition: sulfate, nitrate and ammonium. In addition, the simulation with SIA gives generally a better agreement for secondary inorganic aerosols precursors (nitric acid, sulfur dioxide, ammonia) in particular with a reduction of the Modified Normalised Mean Bias (MNMB). At the regional scale, over Europe, the model simulation with SIA are compared to the in situ measurements from the EMEP database and shows a good agreement with secondary inorganic aerosol composition. The results at the regional scale are consistent with those obtained with the global simulations. The AIRBASE database was used to compare the model to regulated air quality pollutants being particulate matter, ozone and nitrogen dioxide concentrations. The introduction of the SIA in MOCAGE provides a reduction of the PM2.5 MNMB of 0.44 on a yearly basis and even 0.52 on a three spring months period (March, April, May) when SIA are maximum.

  10. Improvement and further development in CESM/CAM5: gas-phase chemistry and inorganic aerosol treatments

    NASA Astrophysics Data System (ADS)

    He, J.; Zhang, Y.

    2013-10-01

    Gas-phase chemistry and subsequent gas-to-particle conversion processes such as new particle formation, condensation, and thermodynamic partitioning have large impacts on air quality, climate, and public health through influencing the amounts and distributions of gaseous precursors and secondary aerosols. Their roles in global air quality and climate are examined in this work using the Community Earth System Model version 1.0.5 (CESM1.0.5) with the Community Atmosphere Model version 5.1 (CAM5.1) (referred to as CESM1.0.5/CAM5.1). CAM5.1 includes a simple chemistry that is coupled with a 7-mode prognostic Modal Aerosol Model (MAM7). MAM7 includes classical homogenous nucleation (binary and ternary) and activation nucleation (empirical first-order power law) parameterizations, and a highly-simplified inorganic aerosol thermodynamics treatment that only simulates sulfate (SO42-) and ammonium (NH4+). In this work, a new gas-phase chemistry mechanism based on the 2005 Carbon Bond Mechanism for Global Extension (CB05_GE) and several advanced inorganic aerosol treatments for condensation of volatile species, ion-mediated nucleation (IMN), and explicit inorganic aerosol thermodynamics have been incorporated into CESM/CAM5.1-MAM7. Comparing to the simple gas-phase chemistry, CB05_GE can predict many more gaseous species, and improve model performance for PM2.5, PM10, PM2.5 components, and some PM gaseous precursors such as SO2 and NH3 in several regions, as well as aerosol optical depth (AOD) and cloud properties (e.g., cloud fraction (CF), cloud droplet number concentration (CDNC), and shortwave cloud forcing (SWCF)) on globe. The modified condensation and aqueous-phase chemistry further improves the predictions of additional variables such as HNO3, NO2, and O3 in some regions, and new particle formation rate (J) and AOD over globe. IMN can improve the predictions of secondary PM2.5 components, PM2.5, and PM10 over Europe, as well as AOD and CDNC over globe. The explicit

  11. Improvement and further development in CESM/CAM5: gas-phase chemistry and inorganic aerosol treatments

    NASA Astrophysics Data System (ADS)

    He, J.; Zhang, Y.

    2014-09-01

    Gas-phase chemistry and subsequent gas-to-particle conversion processes such as new particle formation, condensation, and thermodynamic partitioning have large impacts on air quality, climate, and public health through influencing the amounts and distributions of gaseous precursors and secondary aerosols. Their roles in global air quality and climate are examined in this work using the Community Earth System Model version 1.0.5 (CESM1.0.5) with the Community Atmosphere Model version 5.1 (CAM5.1) (referred to as CESM1.0.5/CAM5.1). CAM5.1 includes a simple chemistry that is coupled with a 7-mode prognostic Modal Aerosol Model (MAM7). MAM7 includes classical homogenous nucleation (binary and ternary) and activation nucleation (empirical first-order power law) parameterizations, and a highly simplified inorganic aerosol thermodynamics treatment that only simulates particulate-phase sulfate and ammonium. In this work, a new gas-phase chemistry mechanism based on the 2005 Carbon Bond Mechanism for Global Extension (CB05_GE) and several advanced inorganic aerosol treatments for condensation of volatile species, ion-mediated nucleation (IMN), and explicit inorganic aerosol thermodynamics for sulfate, ammonium, nitrate, sodium, and chloride have been incorporated into CESM/CAM5.1-MAM7. Compared to the simple gas-phase chemistry, CB05_GE can predict many more gaseous species, and thus could improve model performance for PM2.5, PM10, PM components, and some PM gaseous precursors such as SO2 and NH3 in several regions as well as aerosol optical depth (AOD) and cloud properties (e.g., cloud fraction (CF), cloud droplet number concentration (CDNC), and shortwave cloud forcing, SWCF) on the global scale. The modified condensation and aqueous-phase chemistry could further improve the prediction of additional variables such as HNO3, NO2, and O3 in some regions, and new particle formation rate (J) and AOD on the global scale. IMN can improve the prediction of secondary PM2

  12. Inorganic dendrimers: recent advances for catalysis, nanomaterials, and nanomedicine.

    PubMed

    Caminade, Anne-Marie

    2016-10-01

    Dendrimers are hyperbranched polymers having a perfectly defined structure because they are synthesized step-by-step in an iterative fashion, and not by polymerization reactions. Some dendrimers are considered as inorganic, as they possess inorganic atoms at each branching point. Among numerous examples, two families of inorganic dendrimers have emerged as particularly promising: silicon-containing dendrimers, particularly carbosilanes, and phosphorus-containing dendrimers, particularly phosphorhydrazones. This tutorial review will display the main properties of both families of dendrimers in the fields of catalysis, materials and biology/nanomedicine. Emphasis will be put on the most recent and promising examples.

  13. Inorganic chemistry in nuclear imaging and radiotherapy: current and future directions

    PubMed Central

    Carroll, Valerie; Demoin, Dustin W.; Hoffman, Timothy J; Jurisson, Silvia S

    2013-01-01

    Summary Radiometals play an important role in diagnostic and therapeutic radiopharmaceuticals. This field of radiochemistry is multidisciplinary, involving radiometal production, separation of the radiometal from its target, chelate design for complexing the radiometal in a biologically stable environment, specific targeting of the radiometal to its in vivo site, and nuclear imaging and/or radiotherapy applications of the resultant radiopharmaceutical. The critical importance of inorganic chemistry in the design and application of radiometal-containing imaging and therapy agents is described from a historical perspective to future directions. PMID:25382874

  14. [Recent advancement of photonic-crystal-based analytical chemistry].

    PubMed

    Chen, Yun; Guo, Zhenpeng; Wang, Jinyi; Chen, Yi

    2014-04-01

    Photonic crystals are a type of novel materials with ordered structure, nanopores/channels and optical band gap. They have hence important applications in physics, chemistry, biological science and engineering fields. This review summarizes the recent advancement of photonic crystals in analytical chemistry applications, with focus on sensing and separating fields happening in the nearest 5 years.

  15. Inorganic sulfur-nitrogen compounds: from gunpowder chemistry to the forefront of biological signaling.

    PubMed

    Cortese-Krott, Miriam M; Butler, Anthony R; Woollins, J Derek; Feelisch, Martin

    2016-04-14

    The reactions between inorganic sulfur and nitrogen-bearing compounds to form S-N containing species have a long history and, besides assuming importance in industrial synthetic processes, are of relevance to microbial metabolism; waste water treatment; aquatic, soil and atmospheric chemistry; and combustion processes. The recent discovery that hydrogen sulfide and nitric oxide exert often similar, sometimes mutually dependent effects in a variety of biological systems, and that the chemical interaction of these two species leads to formation of S-N compounds brought this chemistry to the attention of physiologists, biochemists and physicians. We here provide a perspective about the potential role of S-N compounds in biological signaling and briefly review their chemical properties and bioactivities in the context of the chronology of their discovery. Studies of the biological role of NO revealed why its chemistry is ideally suited for the tasks Nature has chosen for it; realising how the distinctive properties of sulfur can enrich this bioactivity does much to revive 'die Freude am experimentellen Spiel' of the pioneers in this field.

  16. Soil carbon dioxide partial pressure and dissolved inorganic carbonate chemistry under elevated carbon dioxide and ozone.

    PubMed

    Karberg, N J; Pregitzer, K S; King, J S; Friend, A L; Wood, J R

    2005-01-01

    Global emissions of atmospheric CO(2) and tropospheric O(3) are rising and expected to impact large areas of the Earth's forests. While CO(2) stimulates net primary production, O(3) reduces photosynthesis, altering plant C allocation and reducing ecosystem C storage. The effects of multiple air pollutants can alter belowground C allocation, leading to changes in the partial pressure of CO(2) (pCO(2)) in the soil , chemistry of dissolved inorganic carbonate (DIC) and the rate of mineral weathering. As this system represents a linkage between the long- and short-term C cycles and sequestration of atmospheric CO(2), changes in atmospheric chemistry that affect net primary production may alter the fate of C in these ecosystems. To date, little is known about the combined effects of elevated CO(2) and O(3) on the inorganic C cycle in forest systems. Free air CO(2) and O(3) enrichment (FACE) technology was used at the Aspen FACE project in Rhinelander, Wisconsin to understand how elevated atmospheric CO(2) and O(3) interact to alter pCO(2) and DIC concentrations in the soil. Ambient and elevated CO(2) levels were 360+/-16 and 542+/-81 microl l(-1), respectively; ambient and elevated O(3) levels were 33+/-14 and 49+/-24 nl l(-1), respectively. Measured concentrations of soil CO(2) and calculated concentrations of DIC increased over the growing season by 14 and 22%, respectively, under elevated atmospheric CO(2) and were unaffected by elevated tropospheric O(3). The increased concentration of DIC altered inorganic carbonate chemistry by increasing system total alkalinity by 210%, likely due to enhanced chemical weathering. The study also demonstrated the close coupling between the seasonal delta(13)C of soil pCO(2) and DIC, as a mixing model showed that new atmospheric CO(2) accounted for approximately 90% of the C leaving the system as DIC. This study illustrates the potential of using stable isotopic techniques and FACE technology to examine long- and short

  17. Strongly coupled inorganic/nanocarbon hybrid materials for advanced electrocatalysis.

    PubMed

    Liang, Yongye; Li, Yanguang; Wang, Hailiang; Dai, Hongjie

    2013-02-13

    Electrochemical systems, such as fuel cell and water splitting devices, represent some of the most efficient and environmentally friendly technologies for energy conversion and storage. Electrocatalysts play key roles in the chemical processes but often limit the performance of the entire systems due to insufficient activity, lifetime, or high cost. It has been a long-standing challenge to develop efficient and durable electrocatalysts at low cost. In this Perspective, we present our recent efforts in developing strongly coupled inorganic/nanocarbon hybrid materials to improve the electrocatalytic activities and stability of inorganic metal oxides, hydroxides, sulfides, and metal-nitrogen complexes. The hybrid materials are synthesized by direct nucleation, growth, and anchoring of inorganic nanomaterials on the functional groups of oxidized nanocarbon substrates including graphene and carbon nanotubes. This approach affords strong chemical attachment and electrical coupling between the electrocatalytic nanoparticles and nanocarbon, leading to nonprecious metal-based electrocatalysts with improved activity and durability for the oxygen reduction reaction for fuel cells and chlor-alkali catalysis, oxygen evolution reaction, and hydrogen evolution reaction. X-ray absorption near-edge structure and scanning transmission electron microscopy are employed to characterize the hybrids materials and reveal the coupling effects between inorganic nanomaterials and nanocarbon substrates. Z-contrast imaging and electron energy loss spectroscopy at single atom level are performed to investigate the nature of catalytic sites on ultrathin graphene sheets. Nanocarbon-based hybrid materials may present new opportunities for the development of electrocatalysts meeting the requirements of activity, durability, and cost for large-scale electrochemical applications.

  18. Computing Advances in the Teaching of Chemistry.

    ERIC Educational Resources Information Center

    Baskett, W. P.; Matthews, G. P.

    1984-01-01

    Discusses three trends in computer-oriented chemistry instruction: (1) availability of interfaces to integrate computers with experiments; (2) impact of the development of higher resolution graphics and greater memory capacity; and (3) role of videodisc technology on computer assisted instruction. Includes program listings for auto-titration and…

  19. [60]Fullerene Displacement from (Dihapto-Buckminster-Fullerene) Pentacarbonyl Tungsten(0): An Experiment for the Inorganic Chemistry Laboratory, Part II

    ERIC Educational Resources Information Center

    Cortes-Figueroa, Jose E.; Moore-Russo, Deborah A.

    2006-01-01

    The kinetics experiments on the ligand-C[subscript 60] exchange reactions on (dihapto-[60]fullerene) pentacarbonyl tungsten(0), ([eta][superscript 2]-C[subscript 60])W(CO)[subscript 5], form an educational activity for the inorganic chemistry laboratory that promotes graphical thinking as well as the understanding of kinetics, mechanisms, and the…

  20. Electrochemistry of (Dihapto-Buckminster-Fullerene) Pentacarbonyl Tungsten(0): An Experiment for the Inorganic Chemistry Laboratory, Part III

    ERIC Educational Resources Information Center

    Igartua-Nieves, Elvin; Ocasio-Delgado, Yessenia; Rivera-Pagan, Jose; Cortes-Figueroa, Jose E.

    2007-01-01

    Cyclic voltammetry experiments on [60]fullerene, (C[subscript 60]), and (dihapto-[60]fullerene) pentacarbonyl tungsten(0), ([eta][superscript 2]-C[subscript 60])W(CO)[subscript 5], constitute an educational experiment for the inorganic chemistry laboratory with a primary objective to teach the chemical interpretation of a voltammogram, in…

  1. Synthesis and Characterization of a Layered Manganese Oxide: Materials Chemistry for the Inorganic or Instrumental Methods Lab

    ERIC Educational Resources Information Center

    Ching, Stanton; Neupane, Ram P.; Gray, Timothy P.

    2006-01-01

    A three-week laboratory project involving synthesis and characterization of a layered manganese oxide provides an excellent vehicle for teaching important concepts of inorganic chemistry and instrumental methods related to non-molecular systems. Na-birnessite is an easily prepared manganese oxide with a 7 A interlayer spacing and Na[superscript +]…

  2. Prominent Chemists Team Up to Review Frontiers in Chemistry.

    ERIC Educational Resources Information Center

    Baum, Rudy M.

    1989-01-01

    Discusses a symposium which focused on the influence of inorganic chemistry on organic synthesis, the impact of organic chemistry on biochemistry and vice versa, chemical reaction dynamics, and advances in inorganic chemistry. Explains the purpose of the symposium was to illustrate the intellectual dynamism of modern chemistry. (MVL)

  3. Recent advances in the chemistry of organic thiocyanates.

    PubMed

    Castanheiro, Thomas; Suffert, Jean; Donnard, Morgan; Gulea, Mihaela

    2016-02-01

    Organic thiocyanates are important synthetic intermediates to access valuable sulfur-containing compounds. In this review the different methods for their preparation and their synthetic applications will be presented. The literature of the last 15 years will be covered, highlighting selected recent advances in the chemistry of this class of compounds. We hope to offer chemists the tools to have a good grasp of this singular functionality and open the door to further progress in this chemistry.

  4. Goldilocks and the three inorganic equilibria: how Earth's chemistry and life coevolve to be nearly in tune.

    PubMed

    Rickaby, R E M

    2015-03-13

    Life and the chemical environment are united in an inescapable feedback cycle. The periodic table of the elements essential for life has transformed over Earth's history, but, as today, evolved in tune with the elements available in abundance in the environment. The most revolutionary time in life's history was the advent and proliferation of oxygenic photosynthesis which forced the environment towards a greater degree of oxidation. Consideration of three inorganic chemical equilibria throughout this gradual oxygenation prescribes a phased release of trace metals to the environment, which appear to have coevolved with employment of these new chemicals by life. Evolution towards complexity was chemically constrained, and changes in availability of notably Fe, Zn and Cu paced the systematic development of complex organisms. Evolving life repeatedly catalysed its own chemical challenges via the unwitting release of new and initially toxic chemicals. Ultimately, the harnessing of these allowed life to advance to greater complexity, though the mechanism responsible for translating novel chemistry to heritable use remains elusive. Whether a chemical acts as a poison or a nutrient lies both in the dose and in its environmental history.

  5. Goldilocks and the three inorganic equilibria: how Earth's chemistry and life coevolve to be nearly in tune.

    PubMed

    Rickaby, R E M

    2015-03-13

    Life and the chemical environment are united in an inescapable feedback cycle. The periodic table of the elements essential for life has transformed over Earth's history, but, as today, evolved in tune with the elements available in abundance in the environment. The most revolutionary time in life's history was the advent and proliferation of oxygenic photosynthesis which forced the environment towards a greater degree of oxidation. Consideration of three inorganic chemical equilibria throughout this gradual oxygenation prescribes a phased release of trace metals to the environment, which appear to have coevolved with employment of these new chemicals by life. Evolution towards complexity was chemically constrained, and changes in availability of notably Fe, Zn and Cu paced the systematic development of complex organisms. Evolving life repeatedly catalysed its own chemical challenges via the unwitting release of new and initially toxic chemicals. Ultimately, the harnessing of these allowed life to advance to greater complexity, though the mechanism responsible for translating novel chemistry to heritable use remains elusive. Whether a chemical acts as a poison or a nutrient lies both in the dose and in its environmental history. PMID:25666070

  6. Recent advances in technetium halide chemistry.

    PubMed

    Poineau, Frederic; Johnstone, Erik V; Czerwinski, Kenneth R; Sattelberger, Alfred P

    2014-02-18

    Transition metal binary halides are fundamental compounds, and the study of their structure, bonding, and other properties gives chemists a better understanding of physicochemical trends across the periodic table. One transition metal whose halide chemistry is underdeveloped is technetium, the lightest radioelement. For half a century, the halide chemistry of technetium has been defined by three compounds: TcF6, TcF5, and TcCl4. The absence of Tc binary bromides and iodides in the literature was surprising considering the existence of such compounds for all of the elements surrounding technetium. The common synthetic routes that scientists use to obtain binary halides of the neighboring elements, such as sealed tube reactions between elements and flowing gas reactions between a molecular complex and HX gas (X = Cl, Br, or I), had not been reported for technetium. In this Account, we discuss how we used these routes to revisit the halide chemistry of technetium. We report seven new phases: TcBr4, TcBr3, α/β-TcCl3, α/β-TcCl2, and TcI3. Technetium tetrachloride and tetrabromide are isostructural to PtX4 (X = Cl or Br) and consist of infinite chains of edge-sharing TcX6 octahedra. Trivalent technetium halides are isostructural to ruthenium and molybdenum (β-TcCl3, TcBr3, and TcI3) and to rhenium (α-TcCl3). Technetium tribromide and triiodide exhibit the TiI3 structure-type and consist of infinite chains of face-sharing TcX6 (X = Br or I) octahedra. Concerning the trichlorides, β-TcCl3 crystallizes with the AlCl3 structure-type and consists of infinite layers of edge-sharing TcCl6 octahedra, while α-TcCl3 consists of infinite layers of Tc3Cl9 units. Both phases of technetium dichloride exhibit new structure-types that consist of infinite chains of [Tc2Cl8] units. For the technetium binary halides, we studied the metal-metal interaction by theoretical methods and magnetic measurements. The change of the electronic configuration of the metal atom from d(3) (Tc

  7. Advances in molten salt chemistry: Vol. 4

    SciTech Connect

    Mamautov, G.; Braunstein, J.

    1981-01-01

    This book presents information on the following topics: electronic properties of solutions of liquid metals and ionic melts; metal-metal halide, metal-chalcogen, and metal-metal solutions; metallic models; the use of high pressure in the study of molten salts; the purpose of high pressure experimentation; melting point curves and phase diagrams; compressibilities and equations of state; electrical conductivity measurements; physical chemistry and electrochemistry of alkali carbonate melts; equilibrium properties of molten carbonates; electrochemical characteristics and corrosion; stability of ceramics; some new molten salt electrolytic processes; sodium metal production by the use of a beta-alumina diaphragm; recovery of metallic sodium or caustic soda and sulfur from flue gas; high temperature electrolysis of water; and LiCl electrolysis by the use of a bipolar liquid metal electrode.

  8. Recent advances in technetium halide chemistry.

    PubMed

    Poineau, Frederic; Johnstone, Erik V; Czerwinski, Kenneth R; Sattelberger, Alfred P

    2014-02-18

    Transition metal binary halides are fundamental compounds, and the study of their structure, bonding, and other properties gives chemists a better understanding of physicochemical trends across the periodic table. One transition metal whose halide chemistry is underdeveloped is technetium, the lightest radioelement. For half a century, the halide chemistry of technetium has been defined by three compounds: TcF6, TcF5, and TcCl4. The absence of Tc binary bromides and iodides in the literature was surprising considering the existence of such compounds for all of the elements surrounding technetium. The common synthetic routes that scientists use to obtain binary halides of the neighboring elements, such as sealed tube reactions between elements and flowing gas reactions between a molecular complex and HX gas (X = Cl, Br, or I), had not been reported for technetium. In this Account, we discuss how we used these routes to revisit the halide chemistry of technetium. We report seven new phases: TcBr4, TcBr3, α/β-TcCl3, α/β-TcCl2, and TcI3. Technetium tetrachloride and tetrabromide are isostructural to PtX4 (X = Cl or Br) and consist of infinite chains of edge-sharing TcX6 octahedra. Trivalent technetium halides are isostructural to ruthenium and molybdenum (β-TcCl3, TcBr3, and TcI3) and to rhenium (α-TcCl3). Technetium tribromide and triiodide exhibit the TiI3 structure-type and consist of infinite chains of face-sharing TcX6 (X = Br or I) octahedra. Concerning the trichlorides, β-TcCl3 crystallizes with the AlCl3 structure-type and consists of infinite layers of edge-sharing TcCl6 octahedra, while α-TcCl3 consists of infinite layers of Tc3Cl9 units. Both phases of technetium dichloride exhibit new structure-types that consist of infinite chains of [Tc2Cl8] units. For the technetium binary halides, we studied the metal-metal interaction by theoretical methods and magnetic measurements. The change of the electronic configuration of the metal atom from d(3) (Tc

  9. Advances in bile acid medicinal chemistry.

    PubMed

    Sharma, R; Long, A; Gilmer, J F

    2011-01-01

    Bile acids (BAs) are a family of steroidal molecules derived from cholesterol and biosynthesised in the pericentral hepatocytes of the liver. Structurally they may be regarded as consisting of two components, a rigid steroid nucleus and a short aliphatic side chain terminating in an alcohol or carboxyl group. Traditionally BAs are known for their ability to act as solubilising agents in the gut, aiding in the absorption of dietary lipids through the formation of mixed micelles. However the identification of BAs as ligands of the farnesoid X receptor (FXR) has lead to the realisation that these molecules have a wider range of biological effects. BAs regulate lipid and glucose homeostasis through activation of the FXR and the G-protein coupled receptor, TGR5. They can activate apoptotic, inflammatory and carcinogenic signalling pathways. BAs have also been shown to have anti-inflammatory effects. Interestingly, BAs are not restricted to the hepatic-intestinal system. Plasma BAs regulate BA synthesis and metabolism. BAs have recently been identified in cerebrospinal fluid. The BA, ursodeoxycholic acid has a potential role as a neuroprotectant in Huntington's disease and its taurine conjugate exhibits neuro-protective effects in vitro that may be relevant to Alzheimer's disease. This renaissance in BA biology has lead to the development of numerous medicinal chemistry programmes with different therapeutic targets, using BAs as lead structures. BA derivatives with increased efficacy and potency for FXR and TGR5 hold significant promise for the treatment of metabolic disorders. The peculiar effects of BAs on cell viability have been exploited for the design of selective cytocidal agents for treatment of various cancers. BA derivatives have also been screened with much success for anti-microbial and antifungal properties. Other targets include carbonic anhydrase for treatment of glaucoma and the glucocorticoid receptor for antiinflammatory effects. In this review

  10. Recent advances in inorganic materials for LDI-MS analysis of small molecules.

    PubMed

    Shi, C Y; Deng, C H

    2016-05-10

    In this review, various inorganic materials were summarized for the analysis of small molecules by laser desorption/ionization mass spectrometry (LDI-MS). Due to its tremendous advantages, such as simplicity, high speed, high throughput, small analyte volumes and tolerance towards salts, LDI-MS has been widely used in various analytes. During the ionization process, a suitable agent is required to assist the ionization, such as an appropriate matrix for matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS). However, it is normally difficult to analyze small molecules with the MALDI technique because conventional organic matrices may produce matrix-related peaks in the low molecular-weight region, which limits the detection of small molecules (m/z < 700 Da). Therefore, more and more inorganic materials, including carbon-based materials, silicon-based materials and metal-based materials, have been developed to assist the ionization of small molecules. These inorganic materials can transfer energy and improve the ionization efficiency of analytes. In addition, functionalized inorganic materials can act as both an adsorbent and an agent in the enrichment and ionization of small molecules. In this review, we mainly focus on present advances in inorganic materials for the LDI-MS analysis of small molecules in the last five years, which contains the synthetic protocols of novel inorganic materials and the detailed results achieved by inorganic materials. On the other hand, this review also summarizes the application of inorganic materials as adsorbents in the selective enrichment of small molecules, which provides a new field for the application of inorganic materials.

  11. A Multistep Synthesis for an Advanced Undergraduate Organic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Chang Ji; Peters, Dennis G.

    2006-01-01

    Multistep syntheses are often important components of the undergraduate organic laboratory experience and a three-step synthesis of 5-(2-sulfhydrylethyl) salicylaldehyde was described. The experiment is useful as a special project for an advanced undergraduate organic chemistry laboratory course and offers opportunities for students to master a…

  12. Integrative Chemistry: Advanced functional cellular materials bearing multiscale porosity

    NASA Astrophysics Data System (ADS)

    Depardieu, M.; Kinadjian, N.; Backov, R.

    2015-07-01

    With this mini review we show through the sol-gel and emulsion-based Integrative Chemistry how it is possible to trigger materials dimensionality and beyond their functionalities when reaching enhanced applications. In here we focus on 3D macrocellular monolithic foams bearing hierarchical porosities and applications thereof. We first depict the general background of emulsions focusing on concentrated ones, acting as soft templates for the design of PolyHIPE foams, HIPE being the acronym of High Internal Phase Emulsions while encompassing both sol-gel and polymer chemistry. Secondly we extend this approach toward the design of hybrid organic-inorganic foams, labeled Organo-Si(HIPE), where photonics and heterogeneous catalysis applications are addressed. In a third section we show how inorganic Si(HIPE) matrices can be employed as sacrificial hard templates for the generation carbonaceous foams, labeled Carbon(HIPE). These foams being conductive we show applications when employed as electrodes for Li-S battery and as hosts for Li(BH4)-based hydrogen storage.

  13. Recent advances in click chemistry applied to dendrimer synthesis.

    PubMed

    Arseneault, Mathieu; Wafer, Caroline; Morin, Jean-François

    2015-01-01

    Dendrimers are monodisperse polymers grown in a fractal manner from a central point. They are poised to become the cornerstone of nanoscale devices in several fields, ranging from biomedicine to light-harvesting. Technical difficulties in obtaining these molecules has slowed their transfer from academia to industry. In 2001, the arrival of the "click chemistry" concept gave the field a major boost. The flagship reaction, a modified Hüisgen cycloaddition, allowed researchers greater freedom in designing and building dendrimers. In the last five years, advances in click chemistry saw a wider use of other click reactions and a notable increase in the complexity of the reported structures. This review covers key developments in the click chemistry field applied to dendrimer synthesis from 2010 to 2015. Even though this is an expert review, basic notions and references have been included to help newcomers to the field. PMID:26007183

  14. Recent advances in click chemistry applied to dendrimer synthesis.

    PubMed

    Arseneault, Mathieu; Wafer, Caroline; Morin, Jean-François

    2015-01-01

    Dendrimers are monodisperse polymers grown in a fractal manner from a central point. They are poised to become the cornerstone of nanoscale devices in several fields, ranging from biomedicine to light-harvesting. Technical difficulties in obtaining these molecules has slowed their transfer from academia to industry. In 2001, the arrival of the "click chemistry" concept gave the field a major boost. The flagship reaction, a modified Hüisgen cycloaddition, allowed researchers greater freedom in designing and building dendrimers. In the last five years, advances in click chemistry saw a wider use of other click reactions and a notable increase in the complexity of the reported structures. This review covers key developments in the click chemistry field applied to dendrimer synthesis from 2010 to 2015. Even though this is an expert review, basic notions and references have been included to help newcomers to the field.

  15. Research for the advancement of green chemistry practice: Studies in atmospheric and educational chemistry

    NASA Astrophysics Data System (ADS)

    Cullipher, Steven Gene

    Green chemistry is a philosophy of chemistry that emphasizes a decreasing dependence on limited non-renewable resources and an increasing focus on preventing pollution byproducts of the chemical industry. In short, it is the discipline of chemistry practiced through the lens of environmental stewardship. In an effort to advance the practice of green chemistry, three studies will be described that have ramifications for the practice. The first study examines the atmospheric oxidation of a hydrofluorinated ether, a third-generation CFC replacement compound with primarily unknown atmospheric degradation products. Determination of these products has the potential to impact decisions on refrigerant usage in the future. The second study examines chemistry students' development of understanding benefits-costs-risks analysis when presented with two real-world scenarios: refrigerant choice and fuel choice. By studying how benefits-costs-risks thinking develops, curricular materials and instructional approaches can be designed to better foster the development of an ability that is both necessary for green chemists and important in daily decision-making for non-chemists. The final study uses eye tracking technology to examine students' abilities to interpret molecular properties from structural information in the context of global warming. Such abilities are fundamental if chemists are to appropriately assess risks and hazards of chemistry practice.

  16. Organic and inorganic nitrogen dynamics in soil - advanced Ntrace approach

    NASA Astrophysics Data System (ADS)

    Andresen, Louise C.; Björsne, Anna-Karin; Bodé, Samuel; Klemedtsson, Leif; Boeckx, Pascal; Rütting, Tobias

    2016-04-01

    Depolymerization of soil organic nitrogen (SON) into monomers (e.g. amino acids) is currently thought to be the rate limiting step for the terrestrial nitrogen (N) cycle. The production of free amino acids (AA) is followed by AA mineralization to ammonium, which is an important fraction of the total N mineralization. Accurate assessment of depolymerization and AA mineralization rate is important for a better understanding of the rate limiting steps. Recent developments in the 15N pool dilution techniques, based on 15N labelling of AA's, allow quantifying gross rates of SON depolymerization and AA mineralization (Wanek et al., 2010; Andersen et al., 2015) in addition to gross N mineralization. However, it is well known that the 15N pool dilution approach has limitations; in particular that gross rates of consumption processes (e.g. AA mineralization) are overestimated. This has consequences for evaluating the rate limiting step of the N cycle, as well as for estimating the nitrogen use efficiency (NUE). Here we present a novel 15N tracing approach, which combines 15N-AA labelling with an advanced version of the 15N tracing model Ntrace (Müller et al., 2007) explicitly accounting for AA turnover in soil. This approach (1) provides a more robust quantification of gross depolymerization and AA mineralization and (2) suggests a more realistic estimate for the microbial NUE of amino acids. Advantages of the new 15N tracing approach will be discussed and further improvements will be identified. References: Andresen, L.C., Bodé, S., Tietema, A., Boeckx, P., and Rütting, T.: Amino acid and N mineralization dynamics in heathland soil after long-term warming and repetitive drought, SOIL, 1, 341-349, 2015. Müller, C., Rütting, T., Kattge, J., Laughlin, R. J., and Stevens, R. J.: Estimation of parameters in complex 15N tracing models via Monte Carlo sampling, Soil Biology & Biochemistry, 39, 715-726, 2007. Wanek, W., Mooshammer, M., Blöchl, A., Hanreich, A., and Richter

  17. Chemistry, College Level. Annotated Bibliography of Tests.

    ERIC Educational Resources Information Center

    Educational Testing Service, Princeton, NJ. Test Collection.

    Most of the 30 tests cited in this bibliography are those of the American Chemical Society. Subjects covered include physical chemistry, organic chemistry, inorganic chemistry, analytical chemistry, and other specialized areas. The tests are designed only for advanced high school, and both bachelor/graduate degree levels of college students. This…

  18. First implementation of secondary inorganic aerosols in the MOCAGE version R2.15.0 chemistry transport model

    NASA Astrophysics Data System (ADS)

    Guth, J.; Josse, B.; Marécal, V.; Joly, M.; Hamer, P.

    2016-01-01

    In this study we develop a secondary inorganic aerosol (SIA) module for the MOCAGE chemistry transport model developed at CNRM. The aim is to have a module suitable for running at different model resolutions and for operational applications with reasonable computing times. Based on the ISORROPIA II thermodynamic equilibrium module, the new version of the model is presented and evaluated at both the global and regional scales. The results show high concentrations of secondary inorganic aerosols in the most polluted regions: Europe, Asia and the eastern part of North America. Asia shows higher sulfate concentrations than other regions thanks to emission reductions in Europe and North America. Using two simulations, one with and the other without secondary inorganic aerosol formation, the global model outputs are compared to previous studies, to MODIS AOD retrievals, and also to in situ measurements from the HTAP database. The model shows a better agreement with MODIS AOD retrievals in all geographical regions after introducing the new SIA scheme. It also provides a good statistical agreement with in situ measurements of secondary inorganic aerosol composition: sulfate, nitrate and ammonium. In addition, the simulation with SIA generally gives a better agreement with observations for secondary inorganic aerosol precursors (nitric acid, sulfur dioxide, ammonia), in particular with a reduction of the modified normalized mean bias (MNMB). At the regional scale, over Europe, the model simulation with SIA is compared to the in situ measurements from the EMEP database and shows a good agreement with secondary inorganic aerosol composition. The results at the regional scale are consistent with those obtained from the global simulations. The AIRBASE database was used to compare the model to regulated air quality pollutants: particulate matter, ozone and nitrogen dioxide concentrations. Introduction of the SIA in MOCAGE provides a reduction in the PM2.5 MNMB of 0.44 on a

  19. Determining the Quantum Efficiency for Activation of an Organometallic Photoinitiator for Cationic Polymerization: An Experiment for the Physical or Inorganic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Hayes, David M.; Mahar, Maura; Schnabel, R. Chris; Shah, Paras; Lees, Alistair J.; Jakubek, Vladimir

    2007-01-01

    We present a new laboratory experiment on the photochemistry of organometallic [eta][superscript 5],[eta][superscript 6]-mixed-sandwich compounds, which is suitable for both the physical chemistry and inorganic chemistry laboratory. Specifically, students use 1,10-phenanthroline to trap the intermediate formed when…

  20. Advances in actinide solid-state and coordination chemistry

    SciTech Connect

    Burns, Peter C; Ikeda, Y.; Czerwinski, K.

    2011-01-31

    Actinide solid-state and coordination chemistry has advanced through unexpected results that have further revealed the complex nature of the 5f elements. Nanoscale control of actinide materials is emerging, as shown by the creation of a considerable range of cluster and tubular topologies. Departures from established structural trends for actinyl ions are provided by cation-cation interactions in which an O atom of one actinyl ion is an equatorial ligand of a bipyramid of another actinyl ion. The solid-state structural complexity of actinide materials has been further demonstrated by open framework materials with interesting properties. The U(VI) tetraoxide core has been added to this cation's repertoire of coordination possibilities. The emergence of pentavalent uranium solid-state and coordination chemistry has resulted from the prudent selection of ligands. Finally, analogues of the uranyl ion have challenged our understanding of this normally unreactive functional group.

  1. Silicon and germanium nanoparticles with tailored surface chemistry as novel inorganic fiber brightening agents.

    PubMed

    Deb-Choudhury, Santanu; Prabakar, Sujay; Krsinic, Gail; Dyer, Jolon M; Tilley, Richard D

    2013-07-31

    Low-molecular-weight organic molecules, such as coumarins and stilbenes, are used commercially as fluorescent whitening agents (FWAs) to mask photoyellowing and to brighten colors in fabrics. FWAs achieve this by radiating extra blue light, thus changing the hue and also adding to the brightness. However, organic FWAs can rapidly photodegrade in the presence of ultraviolet (UV) radiation, exacerbating the yellowing process through a reaction involving singlet oxygen species. Inorganic nanoparticles, on the other hand, can provide a similar brightening effect with the added advantage of photostability. We report a targeted approach in designing new inorganic silicon- and germanium-based nanoparticles, functionalized with hydrophilic (amine) surface terminations as novel inorganic FWAs. When applied on wool, by incorporation in a sol-gel Si matrix, the inorganic FWAs improved brightness properties, demonstrated enhanced photostability toward UV radiation, especially the germanium nanoparticles, and also generated considerably lower levels of reactive oxygen species compared to a commercial stilbene-based organic FWA, Uvitex NFW.

  2. A Copper-Sulfate-Based Inorganic Chemistry Laboratory for First-Year University Students That Teaches Basic Operations and Concepts

    NASA Astrophysics Data System (ADS)

    Rodríguez, Emilio; Vicente, Miguel Angel

    2002-04-01

    An integrated inorganic chemistry laboratory experiment for first-year students in Chemistry and Chemical Engineering is presented. It is based on copper sulfate and structured for a duration of about 10 hours, and has three steps: purification of a natural ore containing copper sulfate and insoluble basic copper sulfates, determination of the number of water molecules in hydrated copper sulfate, and recovery of metallic copper from copper sulfate. Many basic operations and concepts related to this experiment are studied: weighing; heating; filtration (simple and vacuum-assisted); purification; crystallization; pure compounds and mixtures; hydrated and anhydrous salts; solubility; unsaturated (dilute and concentrated), saturated, and supersaturated solutions; adsorbed and crystallization water; reversible dehydration; redox reaction; electrode potential; free energy; spontaneity; and catalysis.

  3. Incorporating Sustainability and Life Cycle Assessment into First-Year Inorganic Chemistry Major Laboratories

    ERIC Educational Resources Information Center

    Guron, Marta; Paul, Jared J.; Roeder, Margaret H.

    2016-01-01

    Although much of the scientific community concerns itself with ideas of a sustainable future, very little of this interest and motivation has reached the classroom experience of the average chemistry major, and therefore, it is imperative to expose students to these ideas early in their careers. The focus of most undergraduate chemistry curricula…

  4. Organic/inorganic-polyimide nanohybrid materials for advanced opto-electronic applications

    NASA Astrophysics Data System (ADS)

    Ando, Shinji

    2009-02-01

    Nano-hybridization techniques based on the pyrolytic reactions of organo-soluble metallic precursors dissolved in poly(amic acid)s followed by spontaneous precipitation of metal/inorganic nano-particles in solid polyimide (PI) films is facile and effective for functionalization of PI optical and electronic materials. The organic/inorganinc PI nanohybrid materials, which were recently developed by the authors, having a variety of functionalities such as a) high refractive indices, b) low refractive indices, c) controlled thermo-optical property and its anisotropy, d) high polarizing property, and e) high thermal conductivity are reviewed with future prospects on their advanced opto-electronic applications.

  5. Safety in the Chemical Laboratory: Is Thioacetamide a Serious Health Hazard in Inorganic Chemistry Laboratories?

    ERIC Educational Resources Information Center

    Elo, Hannu

    1987-01-01

    Describes the potential health hazards of using thioacetamide in introductory courses where students are involved in qualitative inorganic analysis. Describes the chemical as possessing carcinogenic, hepatotoxic, and mutagenic properties. Cautions that thioacetamide has caused various biochemical changes in the liver, and recommends limited uses…

  6. Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide.

    PubMed

    Zhu, Dong Dong; Liu, Jin Long; Qiao, Shi Zhang

    2016-05-01

    In view of the climate changes caused by the continuously rising levels of atmospheric CO2 , advanced technologies associated with CO2 conversion are highly desirable. In recent decades, electrochemical reduction of CO2 has been extensively studied since it can reduce CO2 to value-added chemicals and fuels. Considering the sluggish reaction kinetics of the CO2 molecule, efficient and robust electrocatalysts are required to promote this conversion reaction. Here, recent progress and opportunities in inorganic heterogeneous electrocatalysts for CO2 reduction are discussed, from the viewpoint of both experimental and computational aspects. Based on elemental composition, the inorganic catalysts presented here are classified into four groups: metals, transition-metal oxides, transition-metal chalcogenides, and carbon-based materials. However, despite encouraging accomplishments made in this area, substantial advances in CO2 electrolysis are still needed to meet the criteria for practical applications. Therefore, in the last part, several promising strategies, including surface engineering, chemical modification, nanostructured catalysts, and composite materials, are proposed to facilitate the future development of CO2 electroreduction. PMID:26996295

  7. Critical review of the chemistry and thermodynamics of technetium and some of its inorganic compounds and aqueous species

    SciTech Connect

    Rard, J.A.

    1983-09-15

    Chemical and thermodynamic data for Technetium (Tc) and some of its inorganic compounds and aqueous species are reviewed here. Major emphasis is given to systems with potential geochemical applications, especially the geochemistry of radioactive waste disposal. Compounds considered include oxides, hydroxides, hydrates oxides, halides, oxyhalides, double halides, and sulfides. The aqueous species considered include those in both noncomplexing media (pertechnetates, technetates, aquo-ions, and hydrolyzed cations) and complexing media (halides, sulfates, and phosphates). Thermodynamic values are recommended for specific compounds and aqueous ions when reliable experimental data are available. Where thermodynamic data are inadequate or unavailable, the chemistry is still discussed to provide information about what needs to be measured, and which chemistry needs to be clarified. A major application of these thermodynamic data will be for chemical equilibrium modeling and for construction of potential-pH diagrams for aqueous solutions. Unfortunately, the present lack of data precludes such calculations for complexing aqueous media. The situation is much better for noncomplexing aqueous media, but the chemistry and thermodynamics of cationic Tc(V) species and hydrolyzed Tc(III) species are poorly understood. 240 references, 6 tables.

  8. Recent advances in heterogeneous selective oxidation catalysis for sustainable chemistry.

    PubMed

    Guo, Zhen; Liu, Bin; Zhang, Qinghong; Deng, Weiping; Wang, Ye; Yang, Yanhui

    2014-05-21

    Oxidation catalysis not only plays a crucial role in the current chemical industry for the production of key intermediates such as alcohols, epoxides, aldehydes, ketones and organic acids, but also will contribute to the establishment of novel green and sustainable chemical processes. This review is devoted to dealing with selective oxidation reactions, which are important from the viewpoint of green and sustainable chemistry and still remain challenging. Actually, some well-known highly challenging chemical reactions involve selective oxidation reactions, such as the selective oxidation of methane by oxygen. On the other hand some important oxidation reactions, such as the aerobic oxidation of alcohols in the liquid phase and the preferential oxidation of carbon monoxide in hydrogen, have attracted much attention in recent years because of their high significance in green or energy chemistry. This article summarizes recent advances in the development of new catalytic materials or novel catalytic systems for these challenging oxidation reactions. A deep scientific understanding of the mechanisms, active species and active structures for these systems are also discussed. Furthermore, connections among these distinct catalytic oxidation systems are highlighted, to gain insight for the breakthrough in rational design of efficient catalytic systems for challenging oxidation reactions.

  9. Silicateins--a novel paradigm in bioinorganic chemistry: enzymatic synthesis of inorganic polymeric silica.

    PubMed

    Müller, Werner E G; Schröder, Heinz C; Burghard, Zaklina; Pisignano, Dario; Wang, Xiaohong

    2013-05-01

    The inorganic matrix of the siliceous skeletal elements of sponges, that is, spicules, is formed of amorphous biosilica. Until a decade ago, it remained unclear how the hard biosilica monoliths of the spicules are formed in sponges that live in a silica-poor (<50 μM) aquatic environment. The following two discoveries caused a paradigm shift and allowed an elucidation of the processes underlying spicule formation; first the discovery that in the spicules only one major protein, silicatein, exists and second, that this protein displays a bio-catalytical, enzymatic function. These findings caused a paradigm shift, since silicatein is the first enzyme that catalyzes the formation of an inorganic polymer from an inorganic monomeric substrate. In the present review the successive steps, following the synthesis of the silicatein product, biosilica, and resulting in the formation of the hard monolithic spicules is given. The new insight is assumed to open new horizons in the field of biotechnology and also in biomedicine.

  10. Advanced Chemistry for Operators. Training Module 1.321.3.77.

    ERIC Educational Resources Information Center

    Kirkwood Community Coll., Cedar Rapids, IA.

    This document is an instructional module package prepared in objective form for use by an instructor familiar with inorganic and general organic chemistry as applied to water and wastewater treatment. Included are objectives, instructor guides, and student handouts. The module contains material related to chemical reactions in water solutions,…

  11. 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…

  12. molSimplify: A toolkit for automating discovery in inorganic chemistry.

    PubMed

    Ioannidis, Efthymios I; Gani, Terry Z H; Kulik, Heather J

    2016-08-15

    We present an automated, open source toolkit for the first-principles screening and discovery of new inorganic molecules and intermolecular complexes. Challenges remain in the automatic generation of candidate inorganic molecule structures due to the high variability in coordination and bonding, which we overcome through a divide-and-conquer tactic that flexibly combines force-field preoptimization of organic fragments with alignment to first-principles-trained metal-ligand distances. Exploration of chemical space is enabled through random generation of ligands and intermolecular complexes from large chemical databases. We validate the generated structures with the root mean squared (RMS) gradients evaluated from density functional theory (DFT), which are around 0.02 Ha/au across a large 150 molecule test set. Comparison of molSimplify results to full optimization with the universal force field reveals that RMS DFT gradients are improved by 40%. Seamless generation of input files, preparation and execution of electronic structure calculations, and post-processing for each generated structure aids interpretation of underlying chemical and energetic trends. © 2016 Wiley Periodicals, Inc. PMID:27364957

  13. Polymer/inorganic nanocomposites with tailored hierarchical structure as advanced dielectric materials

    SciTech Connect

    Manias, Evangelos; Randall, Clive; Tomer, Vivek; Polyzos, Georgios

    2012-01-01

    Most advances and commercial successes of polymer/inorganic nanocomposites rely only on the dispersion of nanoparticles in a polymer matrix. Such approaches leave untapped opportunities where performance can be improved by controlling the larger length-scale structures. Here, we review selected examples where the hierarchical structure (from millimeter to nanometer) is tailored to control the transport properties of the materials, giving rise to marked property enhancements, relevant to dielectric materials for power capacitors. These examples address composite structures that are self-assembled, both at the nm and the micron scales, and, thus, can be produced using standard industrial practices. Specifically, polyethylene (PE) blends or poly(vinylidene fluoride) (PVDF) copolymers are reinforced with nanofillers; these composites are designed with high filler orientation, which yielded marked improvements in electric-field breakdown strength and, consequently, large improvements in their recoverable energy densities.

  14. Advances in polymeric and inorganic vectors for nonviral nucleic acid delivery

    PubMed Central

    Sunshine, Joel C; Bishop, Corey J; Green, Jordan J

    2014-01-01

    Nonviral systems for nucleic acid delivery offer a host of potential advantages compared with viruses, including reduced toxicity and immunogenicity, increased ease of production and less stringent vector size limitations, but remain far less efficient than their viral counterparts. In this article we review recent advances in the delivery of nucleic acids using polymeric and inorganic vectors. We discuss the wide range of materials being designed and evaluated for these purposes while considering the physical requirements and barriers to entry that these agents face and reviewing recent novel approaches towards improving delivery with respect to each of these barriers. Furthermore, we provide a brief overview of past and ongoing nonviral gene therapy clinical trials. We conclude with a discussion of multifunctional nucleic acid carriers and future directions. PMID:22826857

  15. The effect of variable discharge on the inorganic chemistry downstream of a waste water treatment plant, Boulder Creek, Colorado

    NASA Astrophysics Data System (ADS)

    Antweiler, R. C.; Writer, J. H.; Murphy, S. F.

    2012-12-01

    Researchers investigating the effect of wastewater treatment plant (WWTP) effluent on streams often assume that the magnitude of this effect is constant over time. However, discharge of WWTP effluent frequently follows a distinctive diel pattern. WWTP effluent discharge into Boulder Creek, Colorado, for example, varies by almost 200% over the course of a day. Due to this variation, downstream concentrations of chloride, boron and gadolinium (commonly used "conservative tracers") exhibit major changes over a 24-hour period. In order to determine how effluent discharge variability affects stream chemistry, we performed an evaluation of discharge and inorganic chemistry of the City of Boulder's WWTP and Boulder Creek upstream and downstream of the WWTP (representing a 5.4-km reach). Sodium bromide and Rhodamine WT were used to confirm that the same parcel of water was sampled as it moved downstream. The behavior of inorganic constituents fell into three distinct categories, showing conservative behavior, in-stream loss, or in-stream gain. Accounting for variable effluent discharge, the following inorganic constituents behaved conservatively: Cl, SO4, HCO3, F, B, Ba, Ca, Gd, K, Mg, Rb, Co, Cu, Mo, NO3, P and PO4, Sb, SiO2, Sr and Zn. Inorganic compounds which showed evidence of in-stream loss were Bi, Cr, Cs, Ga, Ge, Hg, Se, and Sn. For these elements, the typical pattern was an almost immediate loss: by the time the water had traveled to the first downstream sampling site, 2.3-km below the WWTP, in-stream reactions appeared to have ceased, and a constant flux was observed at all subsequent sites. We speculate that the near-immediate rates represent precipitation and/or adsorption caused by the change in pH and temperature of the mixing zone. Inorganic constituents that showed evidence of in-stream gain were: Al, As, Cd, Fe, I, Li, Mn, Nb, Pb, Re, Th, U, V, W, and all the rare-earth elements (except Gd). As with the in-stream loss group, most of the reactions occurred

  16. Tracing river chemistry in space and time: Dissolved inorganic constituents of the Fraser River, Canada

    NASA Astrophysics Data System (ADS)

    Voss, Britta M.; Peucker-Ehrenbrink, Bernhard; Eglinton, Timothy I.; Fiske, Gregory; Wang, Zhaohui Aleck; Hoering, Katherine A.; Montluçon, Daniel B.; LeCroy, Chase; Pal, Sharmila; Marsh, Steven; Gillies, Sharon L.; Janmaat, Alida; Bennett, Michelle; Downey, Bryce; Fanslau, Jenna; Fraser, Helena; Macklam-Harron, Garrett; Martinec, Michelle; Wiebe, Brayden

    2014-01-01

    The Fraser River basin in southwestern Canada bears unique geologic and climatic features which make it an ideal setting for investigating the origins, transformations and delivery to the coast of dissolved riverine loads under relatively pristine conditions. We present results from sampling campaigns over three years which demonstrate the lithologic and hydrologic controls on fluxes and isotope compositions of major dissolved inorganic runoff constituents (dissolved nutrients, major and trace elements, 87Sr/86Sr, δD). A time series record near the Fraser mouth allows us to generate new estimates of discharge-weighted concentrations and fluxes, and an overall chemical weathering rate of 32 t km-2 y-1. The seasonal variations in dissolved inorganic species are driven by changes in hydrology, which vary in timing across the basin. The time series record of dissolved 87Sr/86Sr is of particular interest, as a consistent shift between higher (“more radiogenic”) values during spring and summer and less radiogenic values in fall and winter demonstrates the seasonal variability in source contributions throughout the basin. This seasonal shift is also quite large (0.709-0.714), with a discharge-weighted annual average of 0.7120 (2 s.d. = 0.0003). We present a mixing model which predicts the seasonal evolution of dissolved 87Sr/86Sr based on tributary compositions and water discharge. This model highlights the importance of chemical weathering fluxes from the old sedimentary bedrock of headwater drainage regions, despite their relatively small contribution to the total water flux.

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

    SciTech Connect

    Ryan, R.R.

    1981-05-01

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

  18. Chemistry Division: Annual progress report for period ending March 31, 1987

    SciTech Connect

    Not Available

    1987-08-01

    This report is divided into the following sections: coal chemistry; aqueous chemistry at high temperatures and pressures; geochemistry of crustal processes to high temperatures and pressures; chemistry of advanced inorganic materials; structure and dynamics of advanced polymeric materials; chemistry of transuranium elements and compounds; separations chemistry; reactions and catalysis in molten salts; surface science related to heterogeneous catalysis; electron spectroscopy; chemistry related to nuclear waste disposal; computational modeling of security document printing; and special topics. (DLC)

  19. Analytical Chemistry Laboratory (ACL) procedure compendium. Volume 3, Inorganic instrumental methods

    SciTech Connect

    Not Available

    1993-08-01

    The methods cover: C in solutions, F (electrode), elements by atomic emission spectrometry, inorganic anions by ion chromatography, Hg in water/solids/sludges, As, Se, Bi, Pb, data calculations for SST (single shell tank?) samples, Sb, Tl, Ag, Pu, O/M ratio, ignition weight loss, pH value, ammonia (N), Cr(VI), alkalinity, U, C sepn. from soil/sediment/sludge, Pu purif., total N, water, C and S, surface Cl/F, leachable Cl/F, outgassing of Ge detector dewars, gas mixing, gas isotopic analysis, XRF of metals/alloys/compounds, H in Zircaloy, H/O in metals, inpurity extraction, reduced/total Fe in glass, free acid in U/Pu solns, density of solns, Kr/Xe isotopes in FFTF cover gas, H by combustion, MS of Li and Cs isotopes, MS of lanthanide isotopes, GC operation, total Na on filters, XRF spectroscopy QC, multichannel analyzer operation, total cyanide in water/solid/sludge, free cyanide in water/leachate, hydrazine conc., ICP-MS, {sup 99}Tc, U conc./isotopes, microprobe analysis of solids, gas analysis, total cyanide, H/N{sub 2}O in air, and pH in soil.

  20. Synthesis of Carbon Nanotube-Inorganic Hybrid Nanocomposites: An Instructional Experiment in Nanomaterials Chemistry

    ERIC Educational Resources Information Center

    de Dios, Miguel; Salgueirino, Veronica; Perez-Lorenzo, Moises; Correa-Duarte, Miguel A.

    2012-01-01

    An experiment is described to introduce advanced undergraduate students to an exciting area of nanotechnology that incorporates nanoparticles onto carbon nanotubes to produce systems that have valuable technological applications. The synthesis of such material has been easily achieved through a simple three-step procedure. Students explore…

  1. Recent advances in the chemistry and biology of pyridopyrimidines.

    PubMed

    Buron, F; Mérour, J Y; Akssira, M; Guillaumet, G; Routier, S

    2015-05-01

    The interest in pyridopyrimidine cores for pharmaceutical products makes this scaffold a highly useful building block for organic chemistry. These derivatives have found applications in various areas of medicine such as anticancer, CNS, fungicidal, antiviral, anti-inflammatory, antimicrobial, and antibacterial therapies. This review mainly focuses on the progress achieved since 2004 in the chemistry and biological activity of pyridopyrimidines.

  2. Development of an Advanced Training Course for Teachers and Researchers in Chemistry

    ERIC Educational Resources Information Center

    Dragisich, Vera; Keller, Valerie; Black, Rebecca; Heaps, Charles W.; Kamm, Judith M.; Olechnowicz, Frank; Raybin, Jonathan; Rombola, Michael; Zhao, Meishan

    2016-01-01

    Based on our long-standing Intensive Training Program for Effective Teaching Assistants in Chemistry, we have developed an Advanced Training Course for Teachers and Researchers in Chemistry at The University of Chicago. The topics in this course are designed to train graduate teaching assistants (GTAs) to become effective teachers and well-rounded…

  3. Independent Learning Project for Advanced Chemistry (ILPAC). Teachers' and Technicians' Notes for First Year Units.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    The Independent Learning Project for Advanced Chemistry (ILPAC) has produced units of study for students in A-level chemistry. Students completing ILPAC units assume a greater responsibility for their own learning and can work, to some extent, at their own pace. By providing guidance, and detailed solutions to exercises in the units, supported by…

  4. What Does a Student Know Who Earns a Top Score on the Advanced Placement Chemistry Exam?

    ERIC Educational Resources Information Center

    Claesgens, Jennifer; Daubenmire, Paul L.; Scalise, Kathleen M.; Balicki, Scott; Gochyyev, Perman; Stacy, Angelica M.

    2014-01-01

    This paper compares the performance of students at a high-performing U.S. public school (n = 64) on the advanced placement (AP) chemistry exam to their performance on the ChemQuery assessment system. The AP chemistry exam was chosen because, as the National Research Council acknowledges, it is the "perceived standard of excellence and school…

  5. ADVANCES IN GREEN CHEMISTRY: CHEMICAL SYNTHESES USING MICROWAVE IRRADIATION, ISBN 81-901238-5-8

    EPA Science Inventory

    16. Abstract Advances in Green Chemistry: Chemical Syntheses Using Microwave Irradiation
    Microwave-accelerated chemical syntheses in solvents as well as under solvent-free conditions have witnessed an explosive growth. The technique has found widespread application predomi...

  6. Polypropylene/glass fiber hierarchical composites incorporating inorganic fullerene-like nanoparticles for advanced technological applications.

    PubMed

    Díez-Pascual, Ana M; Naffakh, Mohammed

    2013-10-01

    Novel isotactic polypropylene (iPP)/glass fiber (GF) laminates reinforced with inorganic fullerene-like tungsten disulfide (IF-WS2) nanoparticles as environmentally friendly fillers have been successfully fabricated by simple melt-blending and fiber impregnation in a hot-press without the addition of any compatibilizer. The influence of IF-WS2 concentration on the morphology, viscosity. and thermal and mechanical behavior of the hierarchical composites has been investigated. Results revealed an unprecedented 62 °C increase in the degradation temperature of iPP/GF upon addition of only 4.0 wt % IF-WS2. The coexistence of both micro- and nanoscale fillers resulted in synergistic effects on enhancing the stiffness, strength, crystallinity, thermal stability, glass transition (Tg) and heat distortion temperature (HDT) of the matrix. The approach used in this work is an efficient, versatile, scalable and economic strategy to improve the mechanical and thermal behavior of GF-reinforced thermoplastics with a view to extend their use in advanced technological applications. This new type of composite materials shows great potential to improve the efficiency and sustainability of many forms of transport. PMID:24015820

  7. Organosilica: Chemistry of Mesoporous Organosilica in Nanotechnology: Molecularly Organic-Inorganic Hybridization into Frameworks (Adv. Mater. 17/2016).

    PubMed

    Chen, Yu; Shi, Jianlin

    2016-05-01

    Organic-inorganic hybrid materials can combine the advantages of organic and inorganic materials, and overcome their drawbacks accordingly. On page 3235, Y. Chen and J. L. Shi review and discuss research progress on the design, synthesis, structure, and composition control of organic-inorganic hybrid mesoporous organosilica nanoparticles (MONs). Extensive applications of MONs in nanotechnology, mainly in nanomedicine, nanocatalysis and nanofabrication are discussed.

  8. 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

  9. Revisiting 30 years of biofunctionalization and surface chemistry of inorganic nanoparticles for nanomedicine

    PubMed Central

    Conde, João; Dias, Jorge T.; Grazú, Valeria; Moros, Maria; Baptista, Pedro V.; de la Fuente, Jesus M.

    2014-01-01

    In the last 30 years we have assisted to a massive advance of nanomaterials in material science. Nanomaterials and structures, in addition to their small size, have properties that differ from those of larger bulk materials, making them ideal for a host of novel applications. The spread of nanotechnology in the last years has been due to the improvement of synthesis and characterization methods on the nanoscale, a field rich in new physical phenomena and synthetic opportunities. In fact, the development of functional nanoparticles has progressed exponentially over the past two decades. This work aims to extensively review 30 years of different strategies of surface modification and functionalization of noble metal (gold) nanoparticles, magnetic nanocrystals and semiconductor nanoparticles, such as quantum dots. The aim of this review is not only to provide in-depth insights into the different biofunctionalization and characterization methods, but also to give an overview of possibilities and limitations of the available nanoparticles. PMID:25077142

  10. Revisiting 30 years of Biofunctionalization and Surface Chemistry of Inorganic Nanoparticles for Nanomedicine

    NASA Astrophysics Data System (ADS)

    Conde, João; Dias, Jorge; Grazú, Valeria; Moros, Maria; Baptista, Pedro; De La Fuente, Jesús

    2014-07-01

    In the last 30 years we have assisted to a massive advance of nanomaterials in material science. Nanomaterials and structures, in addition to their small size, have properties that differ from those of larger bulk materials, making them ideal for a host of novel applications. The spread of nanotechnology in the last years has been due to the improvement of synthesis and characterization methods on the nanoscale, a field rich in new physical phenomena and synthetic opportunities. In fact, the development of functional nanoparticles has progressed exponentially over the past two decades. This work aims to extensively review 30 years of different strategies of surface modification and functionalization of noble metal (gold) nanoparticles, magnetic nanocrystals and semiconductor nanoparticles, such as quantum dots. The aim of this review is not only to provide in-depth insights into the different biofunctionalization and characterization methods, but also to give an overview of possibilities and limitations of the available nanoparticles.

  11. Undergraduate Professional Education in Chemistry: Guidelines and Evaluation Procedures.

    ERIC Educational Resources Information Center

    American Chemical Society, Washington, DC.

    Provided are guidelines for evaluating undergraduate professional education in chemistry. The guidelines summarize an approved program as including: 400 hours of classroom work; 500 hours of laboratory work; a core curriculum covering principles of analytical, inorganic, organic, and physical chemistry; 1 year of advanced work in chemistry or…

  12. Assessing Advanced High School and Undergraduate Students' Thinking Skills: The Chemistry--From the Nanoscale to Microelectronics Module

    ERIC Educational Resources Information Center

    Dori, Yehudit Judy; Dangur, Vered; Avargil, Shirly; Peskin, Uri

    2014-01-01

    Chemistry students in Israel have two options for studying chemistry: basic or honors (advanced placement). For instruction in high school honors chemistry courses, we developed a module focusing on abstract topics in quantum mechanics: Chemistry--From the Nanoscale to Microelectronics. The module adopts a visual-conceptual approach, which…

  13. Beyond temperature: Clumped isotope signatures in dissolved inorganic carbon species and the influence of solution chemistry on carbonate mineral composition

    NASA Astrophysics Data System (ADS)

    Tripati, Aradhna K.; Hill, Pamela S.; Eagle, Robert A.; Mosenfelder, Jed L.; Tang, Jianwu; Schauble, Edwin A.; Eiler, John M.; Zeebe, Richard E.; Uchikawa, Joji; Coplen, Tyler B.; Ries, Justin B.; Henry, Drew

    2015-10-01

    "Clumped-isotope" thermometry is an emerging tool to probe the temperature history of surface and subsurface environments based on measurements of the proportion of 13C and 18O isotopes bound to each other within carbonate minerals in 13C18O16O22- groups (heavy isotope "clumps"). Although most clumped isotope geothermometry implicitly presumes carbonate crystals have attained lattice equilibrium (i.e., thermodynamic equilibrium for a mineral, which is independent of solution chemistry), several factors other than temperature, including dissolved inorganic carbon (DIC) speciation may influence mineral isotopic signatures. Therefore we used a combination of approaches to understand the potential influence of different variables on the clumped isotope (and oxygen isotope) composition of minerals. We conducted witherite precipitation experiments at a single temperature and at varied pH to empirically determine 13C-18O bond ordering (Δ47) and δ18O of CO32- and HCO3- molecules at a 25 °C equilibrium. Ab initio cluster models based on density functional theory were used to predict equilibrium 13C-18O bond abundances and δ18O of different DIC species and minerals as a function of temperature. Experiments and theory indicate Δ47 and δ18O compositions of CO32- and HCO3- ions are significantly different from each other. Experiments constrain the Δ47-δ18O slope for a pH effect (0.011 ± 0.001; 12 ⩾ pH ⩾ 7). Rapidly-growing temperate corals exhibit disequilibrium mineral isotopic signatures with a Δ47-δ18O slope of 0.011 ± 0.003, consistent with a pH effect. Our theoretical calculations for carbonate minerals indicate equilibrium lattice calcite values for Δ47 and δ18O are intermediate between HCO3- and CO32-. We analyzed synthetic calcites grown at temperatures ranging from 0.5 to 50 °C with and without the enzyme carbonic anhydrase present. This enzyme catalyzes oxygen isotopic exchange between DIC species and is present in many natural systems. The two

  14. [Impact of Rocky Desertification Treatment on Underground Water Chemistry and Dissolved Inorganic Carbon Isotope in Karst Areas].

    PubMed

    Xiao, Shi-zhen; Xiong, Kang-ning; Lan, Jia-cheng; Zhang, Hui; Yang, Long

    2015-05-01

    Five springs representing different land-use types and different karst rocky desertification treatment models were chosen at the Huajiang Karst Rocky Desertification Treatment Demonstration Site in Guanling-Zhenfeng Counties in Guizhou, to analyze the features of underground water chemistry and dissolved inorganic carbon isotopes (δ13C(DIC)) and reveal the effect of rocky desertification treatment on karstification and water quality. It was found that, the underground water type of the research area was HCO3-Ca; the water quality of the springs which were relatively less affected by human activities including Shuijingwan Spring (SJW) , Gebei Spring (GB), and Maojiawan Spring (MJW) was better than those relatively more affected by human activities including Diaojing Spring (DJ) and Tanjiazhai Spring (TJZ) , the main ion concentrations and electrical conductivity of which were higher; pH, SIc and pCO2 were sensitive to land-use types and rocky desertification treatment, which could be shown by the higher pH and SIc and lower pCO2 in MJW than those in the other four springs; (Ca(2+) + Mg2+)/HCO(3-) of SJW, MJW and GB were nearly 1:1, dominated by carbonate rock weathering by carbon acid, while the (Ca(2+) + Mg2+) of DJ and TJZ was much higher than HCO3-, suggesting that sulfate and nitrate might also dissolve carbonate rock because of the agricultural activities; δ13C(DIC) was lighter in wet season because of the higher biological activities; the average δ13C(DIC) was in the order of DJ (-12.79 per thousand) < SJW (-12.48 per thousand) < GB (-10.76 per thousand)) < MJW (-10.30 per thousand) < TJZ (-6.70 per thousand), which demonstrated that δ13C(DIC) would be heavier after rocky desertification and lighter after the rocky desertification are treated and controlled. PMID:26314104

  15. [Impact of Rocky Desertification Treatment on Underground Water Chemistry and Dissolved Inorganic Carbon Isotope in Karst Areas].

    PubMed

    Xiao, Shi-zhen; Xiong, Kang-ning; Lan, Jia-cheng; Zhang, Hui; Yang, Long

    2015-05-01

    Five springs representing different land-use types and different karst rocky desertification treatment models were chosen at the Huajiang Karst Rocky Desertification Treatment Demonstration Site in Guanling-Zhenfeng Counties in Guizhou, to analyze the features of underground water chemistry and dissolved inorganic carbon isotopes (δ13C(DIC)) and reveal the effect of rocky desertification treatment on karstification and water quality. It was found that, the underground water type of the research area was HCO3-Ca; the water quality of the springs which were relatively less affected by human activities including Shuijingwan Spring (SJW) , Gebei Spring (GB), and Maojiawan Spring (MJW) was better than those relatively more affected by human activities including Diaojing Spring (DJ) and Tanjiazhai Spring (TJZ) , the main ion concentrations and electrical conductivity of which were higher; pH, SIc and pCO2 were sensitive to land-use types and rocky desertification treatment, which could be shown by the higher pH and SIc and lower pCO2 in MJW than those in the other four springs; (Ca(2+) + Mg2+)/HCO(3-) of SJW, MJW and GB were nearly 1:1, dominated by carbonate rock weathering by carbon acid, while the (Ca(2+) + Mg2+) of DJ and TJZ was much higher than HCO3-, suggesting that sulfate and nitrate might also dissolve carbonate rock because of the agricultural activities; δ13C(DIC) was lighter in wet season because of the higher biological activities; the average δ13C(DIC) was in the order of DJ (-12.79 per thousand) < SJW (-12.48 per thousand) < GB (-10.76 per thousand)) < MJW (-10.30 per thousand) < TJZ (-6.70 per thousand), which demonstrated that δ13C(DIC) would be heavier after rocky desertification and lighter after the rocky desertification are treated and controlled.

  16. Advances in atmospheric chemistry modeling: the LLNL impact tropospheric/stratospheric chemistry model

    SciTech Connect

    Rotman, D A; Atherton, C

    1999-10-07

    We present a unique modeling capability to understand the global distribution of trace gases and aerosols throughout both the troposphere and stratosphere. It includes the ability to simulate tropospheric chemistry that occurs both in the gas phase as well as on the surfaces of solid particles. We have used this capability to analyze observations from particular flight campaigns as well as averaged observed data. Results show the model to accurately simulate the complex chemistry occurring near the tropopause and throughout the troposphere and stratosphere.

  17. A Selection of Recent Advances in C1 Chemistry.

    PubMed

    Mesters, Carl

    2016-06-01

    This review presents a selection of recent publications related to the chemistry and catalysis of C1 molecules, including methane, methanol, carbon monoxide, and carbon dioxide. These molecules play an important role in the current supply of energy and chemicals and will likely become even more relevant because of the need to decarbonize fuels (shift from coal to natural gas) in line with CO2 capture and use to mitigate global warming, as well as a gradual shift on the supply side from crude oil to natural gas. This review includes both recent industrial developments, such as the huge increase in methanol-to-olefins-capacity build in China and the demonstration of oxidative coupling of methane, and scientific developments in these chemistries facilitated by improved capabilities in, for example, analytical tools and computational modeling.

  18. A Selection of Recent Advances in C1 Chemistry.

    PubMed

    Mesters, Carl

    2016-06-01

    This review presents a selection of recent publications related to the chemistry and catalysis of C1 molecules, including methane, methanol, carbon monoxide, and carbon dioxide. These molecules play an important role in the current supply of energy and chemicals and will likely become even more relevant because of the need to decarbonize fuels (shift from coal to natural gas) in line with CO2 capture and use to mitigate global warming, as well as a gradual shift on the supply side from crude oil to natural gas. This review includes both recent industrial developments, such as the huge increase in methanol-to-olefins-capacity build in China and the demonstration of oxidative coupling of methane, and scientific developments in these chemistries facilitated by improved capabilities in, for example, analytical tools and computational modeling. PMID:27276549

  19. Continuous Symmetry and Chemistry Teachers: Learning Advanced Chemistry Content through Novel Visualization Tools

    ERIC Educational Resources Information Center

    Tuvi-Arad, Inbal; Blonder, Ron

    2010-01-01

    In this paper we describe the learning process of a group of experienced chemistry teachers in a specially designed workshop on molecular symmetry and continuous symmetry. The workshop was based on interactive visualization tools that allow molecules and their symmetry elements to be rotated in three dimensions. The topic of continuous symmetry is…

  20. Advances in Chemistry and Bioactivity of the Genus Chisocheton Blume.

    PubMed

    Shilpi, Jamil A; Saha, Sanjib; Chong, Soon-Lim; Nahar, Lutfun; Sarker, Satyajit D; Awang, Khalijah

    2016-05-01

    Chisocheton is one of the genera of the family Meliaceae and consists of ca. 53 species; the distribution of most of those are confined to the Indo-Malay region. Species of broader geographic distribution have undergone extensive phytochemical investigations. Previous phytochemical investigations of this genus resulted in the isolation of mainly limonoids, apotirucallane, tirucallane, and dammarane triterpenes. Reported bioactivities of the isolated compounds include cytotoxic, anti-inflammatory, antifungal, antimalarial, antimycobacterial, antifeedant, and lipid droplet inhibitory activities. Aside from chemistry and biological activities, this review also deals briefly with botany, distribution, and uses of various species of this genus. PMID:26970405

  1. Advances in solid-phase extraction disks for environmental chemistry

    USGS Publications Warehouse

    Thurman, E.M.; Snavely, K.

    2000-01-01

    The development of solid-phase extraction (SPE) for environmental chemistry has progressed significantly over the last decade to include a number of new sorbents and new approaches to SPE. One SPE approach in particular, the SPE disk, has greatly reduced or eliminated the use of chlorinated solvents for the analysis of trace organic compounds. This article discusses the use and applicability of various SPE disks, including micro-sized disks, prior to gas chromatography-mass spectrometry for the analysis of trace organic compounds in water. Copyright (C) 2000 Elsevier Science B.V.

  2. Visualizing Chemistry: The Progess and Promise of Advanced Chemical Imaging

    SciTech Connect

    Committee on Revealing Chemistry Through Advanced Chemical Imaging

    2006-09-01

    The field of chemical imaging can provide detailed structural, functional, and applicable information about chemistry and chemical engineering phenomena that have enormous impacts on medicine, materials, and technology. In recognizing the potential for more research development in the field of chemical imaging, the National Academies was asked by the National Science Foundation, Department of Energy, U.S. Army, and National Cancer Institute to complete a study that would review the current state of molecular imaging technology, point to promising future developments and their applications, and suggest a research and educational agenda to enable breakthrough improvements in the ability to image molecular processes simultaneously in multiple physical dimensions as well as time. The study resulted in a consensus report that provides guidance for a focused research and development program in chemical imaging and identifies research needs and possible applications of imaging technologies that can provide the breakthrough knowledge in chemistry, materials science, biology, and engineering for which we should strive. Public release of this report is expected in early October.

  3. Recent advances in optical measurement methods in physics and chemistry

    SciTech Connect

    Gerardo, J.B.

    1985-01-01

    Progress being made in the development of new scientific measurement tools based on optics and the scientific advances made possible by these new tools is impressive. In some instances, new optical-based measurement methods have made new scientific studies possible, while in other instances they have offered an improved method for performing these studies, e.g., better signal-to-noise ratio, increased data acquisition rate, remote analysis, reduced perturbation to the physical or chemical system being studied, etc. Many of these advances were made possible by advances in laser technology - spectral purity, spectral brightness, tunability, ultrashort pulse width, amplitude stability, etc. - while others were made possible by improved optical components - single-made fibers, modulators, detectors, wavelength multiplexes, etc. Attention is limited to just a few of many such accomplishments made recently at Sandia. 17 references, 16 figures.

  4. Amphiphile nanoarchitectonics: from basic physical chemistry to advanced applications.

    PubMed

    Ramanathan, Muruganathan; Shrestha, Lok Kumar; Mori, Taizo; Ji, Qingmin; Hill, Jonathan P; Ariga, Katsuhiko

    2013-07-14

    Amphiphiles, either synthetic or natural, are structurally simple molecules with the unprecedented capacity to self-assemble into complex, hierarchical geometries in nanospace. Effective self-assembly processes of amphiphiles are often used to mimic biological systems, such as assembly of lipids and proteins, which has paved a way for bottom-up nanotechnology with bio-like advanced functions. Recent developments in nanostructure formation combine simple processes of assembly with the more advanced concept of nanoarchitectonics. In this perspective, we summarize research on self-assembly of amphiphilic molecules such as lipids, surfactants or block copolymers that are a focus of interest for many colloid, polymer, and materials scientists and which have become increasingly important in emerging nanotechnology and practical applications, latter of which are often accomplished by amphiphile-like polymers. Because the fundamental science of amphiphiles was initially developed for their solution assembly then transferred to assemblies on surfaces as a development of nanotechnological techniques, this perspective attempts to mirror this development by introducing solution systems and progressing to interfacial systems, which are roughly categorized as (i) basic properties of amphiphiles, (ii) self-assembly of amphiphiles in bulk phases, (iii) assembly on static surfaces, (iv) assembly at dynamic interfaces, and (v) advanced topics from simulation to application. This progression also represents the evolution of amphiphile science and technology from simple assemblies to advanced assemblies to nanoarchitectonics.

  5. Amphiphile nanoarchitectonics: from basic physical chemistry to advanced applications

    SciTech Connect

    Ramanathan, Nathan Muruganathan; Shrestha, Lok Kumar; Mori, Taizo; Ji, Dr. Qingmin; Hill, Dr. Jonathan P; Ariga, Katsuhiko

    2013-01-01

    Amphiphiles, either synthetic or natural, are structurally simple molecules with the unprecedented capacity to self-assemble into complex, hierarchical geometries in nanospace. Effective self-assembly processes of amphiphiles are often used to mimic biological systems, such as, assembly of lipids and proteins, which has paved a way for bottom-up nanotechnology with bio-like advanced functions. Recent developments on nanostructure formation combine simple processes of assembly with the more advanced concept of nanoarchitectonics. In this pespective, we summarize research on self-assembly of amphiphilic molecules such as lipids, surfactants or block copolymers that are a focus of interest for many colloid, polymer, and materials scientists and which have become increasingly important in emerging nanotechnology. Because the fundamental science of amphiphiles was initially developed for their solution assembly then transferred to assemblies on surfaces as a development of nanotechnological technique, this perspective attempts to mirro this development by introducing solution systems and progressing to interfacial systems, which are roughly categorized as (i) basic properties of amphiphiles, (ii) self-assembly of amphiphiles in bulk phases, (iii) assembly on static surfaces, (iv) assembly at dynamic interfaces, and (v) advanced topics from simulation to application. This progression also represents the evolution of amphiphile science and technology from simple assemblies to advanced assemblies to nanoarchitectonics.

  6. A Simultaneous Analysis Problem for Advanced General Chemistry Laboratories.

    ERIC Educational Resources Information Center

    Leary, J. J.; Gallaher, T. N.

    1983-01-01

    Oxidation of magnesium metal in air has been used as an introductory experiment for determining the formula of a compound. The experiment described employs essentially the same laboratory procedure but is significantly more advanced in terms of information sought. Procedures and sample calculations/results are provided. (JN)

  7. 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

  8. Recent advances in glycerol polymers: chemistry and biomedical applications.

    PubMed

    Zhang, Heng; Grinstaff, Mark W

    2014-11-01

    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, the underlying chemistry of glycerol that provides access to a range of monomers for subsequent polymerizations is described. Then, the various synthetic methodologies to prepare glycerol-based polymers including polyethers, polycarbonates, polyesters, and so forth are reviewed. Next, 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 are described. Fourth, the growing market opportunity for the use of polymers in medicine is described. Finally, the findings are concluded and summarized, as well as the potential opportunities for continued research efforts are discussed.

  9. An Advanced Undergraduate Chemistry Laboratory Experiment Exploring NIR Spectroscopy and Chemometrics

    ERIC Educational Resources Information Center

    Wanke, Randall; Stauffer, Jennifer

    2007-01-01

    An advanced undergraduate chemistry laboratory experiment to study the advantages and hazards of the coupling of NIR spectroscopy and chemometrics is described. The combination is commonly used for analysis and process control of various ingredients used in agriculture, petroleum and food products.

  10. A Comprehensive Microfluidics Device Construction and Characterization Module for the Advanced Undergraduate Analytical Chemistry Laboratory

    ERIC Educational Resources Information Center

    Piunno, Paul A. E.; Zetina, Adrian; Chu, Norman; Tavares, Anthony J.; Noor, M. Omair; Petryayeva, Eleonora; Uddayasankar, Uvaraj; Veglio, Andrew

    2014-01-01

    An advanced analytical chemistry undergraduate laboratory module on microfluidics that spans 4 weeks (4 h per week) is presented. The laboratory module focuses on comprehensive experiential learning of microfluidic device fabrication and the core characteristics of microfluidic devices as they pertain to fluid flow and the manipulation of samples.…

  11. A Study on Advanced Lithium-Based Battery Cell Chemistries to Enhance Lunar Exploration Missions

    NASA Technical Reports Server (NTRS)

    Reid, Concha M.; Bennett, William R.

    2010-01-01

    NASAs Exploration Technology Development Program (ETDP) Energy Storage Project conducted an advanced lithium-based battery chemistry feasibility study to determine the best advanced chemistry to develop for the Altair Lunar Lander and the Extravehicular Activities (EVA) advanced Lunar surface spacesuit. These customers require safe, reliable batteries with extremely high specific energy as compared to state-of-the-art. The specific energy goals for the development project are 220 watt-hours per kilogram (Wh/kg) delivered at the battery-level at 0 degrees Celsius ( C) at a C/10 discharge rate. Continuous discharge rates between C/5 and C/2, operation between 0 and 30 C and 200 cycles are targeted. Electrode materials that were considered include layered metal oxides, spinel oxides, and olivine-type cathode materials, and lithium metal, lithium alloy, and silicon-based composite anode materials. Advanced cell chemistry options were evaluated with respect to multiple quantitative and qualitative attributes while considering their projected performance at the end of the available development timeframe. Following a rigorous ranking process, a chemistry that combines a lithiated nickel manganese cobalt oxide Li(LiNMC)O2 cathode with a silicon-based composite anode was selected as the technology that can potentially offer the best combination of safety, specific energy, energy density, and likelihood of success.

  12. Hydrocarbons. Independent Learning Project for Advanced Chemistry (ILPAC). Unit O1.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on hydrocarbons is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit is divided into sections dealing with alkanes, alkenes, alkynes, arenes, and several aspects of the petroleum industry. Two experiments, exercises (with answers), and pre- and post-tests are included.…

  13. Atomic Structure. Independent Learning Project for Advanced Chemistry (ILPAC). Unit S2.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on atomic structure is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit consists of two levels. Level one focuses on the atomic nucleus. Level two focuses on the arrangement of extranuclear electrons, approaching atomic orbitals through both electron bombardment and spectra.…

  14. The Halogens. Independent Learning Project for Advanced Chemistry (ILPAC). Unit I2.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, focuses on the elements and compounds of Group IV (halogens) of the periodic table. Level one deals with the physical and chemical properties of the individual elements. Level two considers…

  15. Bonding and Structure. Independent Learning Project for Advanced Chemistry (ILPAC). Unit S4.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on chemical bonding is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, provides an introduction to the main types of chemical bonding and important aspects of structure. The main emphasis is placed on such topics as ionic and covalent bonding,…

  16. s-Block Elements. Independent Learning Project for Advanced Chemistry (ILPAC). Unit I1.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two sections and an appendix, focuses on the elements and compounds of Groups I and II (the s-block) of the periodic table. The groups are treated concurrently to note comparisons between groups and to…

  17. Chemical Energetics. Independent Learning Project for Advanced Chemistry (ILPAC). Unit S3.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on chemical energetics is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, provides a clear yet detailed and thorough introduction to the topic. Level one extends ideas from previous courses, introduces and emphasizes the importance of Hess'…

  18. The Gaseous State. Independent Learning Project for Advanced Chemistry (ILPAC). Unit P1.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on the gaseous state is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit consists of two levels. Level one deals with the distinctive characteristics of gases, then considers the gas laws, in particular the ideal gas equation and its applications. Level two concentrates on…

  19. Equilibrium I: Principles. Independent Learning Project for Advanced Chemistry (ILPAC). Unit P2.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on the principles of equilibrium is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit consists of two levels. After a treatment of non-mathematical aspects in level one (the idea of a reversible reaction, characteristics of an equilibrium state, the Le Chatelier's principle),…

  20. The Mole. Independent Learning Project for Advanced Chemistry (ILPAC). Unit S1.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on the mole is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, designed to help students consolidate some of the ideas about the mole learned in previous courses, consists of two levels. The first level focuses on: (1) relative mass; (2) the concept of the mole as the unit…

  1. Equilibrium II: Acids and Bases. Independent Learning Project for Advanced Chemistry (ILPAC). Unit P3.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on equilibrium is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit, which consists of two levels, focuses on the application of equilibrium principles to equilibria involving weak acids and bases, including buffer solutions and indicators. Level one uses Le Chatelier's…

  2. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY

    SciTech Connect

    1997-09-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. The main activity during this granting period was a completion of a detailed comparative analysis of the suite of spectral editing techniques developed in our laboratory for this purpose. The appended report is a manuscript being submitted to the Journal of Magnetic Resonance on this subject.

  3. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY

    SciTech Connect

    1998-03-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. The main activity during this granting period was a detailed comparative analysis of the suite of spectral editing results obtained on the Argonne coals. We have extended our fitting procedure to include carbons of all types in the analysis.

  4. 2013 INORGANIC REACTION MECHANISMS GORDON RESEARCH CONFERENCE (MARCH 3-8, 2013 - HOTEL GALVEZ, GALVESTON TX)

    SciTech Connect

    Abu-Omar, Mahdi M.

    2012-12-08

    The 2013 Gordon Conference on Inorganic Reaction Mechanisms will present cutting-edge research on the molecular aspects of inorganic reactions involving elements from throughout the periodic table and state-of-the art techniques that are used in the elucidation of reaction mechanisms. The Conference will feature a wide range of topics, such as homogeneous and heterogeneous catalysis, metallobiochemistry, electron-transfer in energy reactions, polymerization, nitrogen fixation, green chemistry, oxidation, solar conversion, alkane functionalization, organotransition metal chemistry, and computational chemistry. The talks will cover themes of current interest including energy, materials, and bioinorganic chemistry. Sections cover: Electron-Transfer in Energy Reactions; Catalytic Polymerization and Oxidation Chemistry; Kinetics and Spectroscopy of Heterogeneous Catalysts; Metal-Organic Chemistry and its Application in Synthesis; Green Energy Conversion;Organometallic Chemistry and Activation of Small Molecules; Advances in Kinetics Modeling and Green Chemistry; Metals in Biology and Disease; Frontiers in Catalytic Bond Activation and Cleavage.

  5. An advanced search engine for patent analytics in medicinal chemistry.

    PubMed

    Pasche, Emilie; Gobeill, Julien; Teodoro, Douglas; Gaudinat, Arnaud; Vishnykova, Dina; Lovis, Christian; Ruch, Patrick

    2012-01-01

    Patent collections contain an important amount of medical-related knowledge, but existing tools were reported to lack of useful functionalities. We present here the development of TWINC, an advanced search engine dedicated to patent retrieval in the domain of health and life sciences. Our tool embeds two search modes: an ad hoc search to retrieve relevant patents given a short query and a related patent search to retrieve similar patents given a patent. Both search modes rely on tuning experiments performed during several patent retrieval competitions. Moreover, TWINC is enhanced with interactive modules, such as chemical query expansion, which is of prior importance to cope with various ways of naming biomedical entities. While the related patent search showed promising performances, the ad-hoc search resulted in fairly contrasted results. Nonetheless, TWINC performed well during the Chemathlon task of the PatOlympics competition and experts appreciated its usability.

  6. Heavy haze episodes in Beijing during January 2013: Inorganic ion chemistry and source analysis using highly time-resolved measurements from an urban site.

    PubMed

    Han, Bin; Zhang, Rui; Yang, Wen; Bai, Zhipeng; Ma, Zhiqiang; Zhang, Wenjie

    2016-02-15

    The heavy air pollution that occurred in Beijing in January of 2013 attracted intense attention around the world. During this period, we conducted highly time-resolved measurements of inorganic ions associated with PM2.5 at an urban site of Beijing, and investigated ion chemistry and potential sources. Hourly concentrations of Cl(-), NO3(-), SO4(2-), Na(+), NH4(+), K(+), Mg(2+), and Ca(2+) were measured. Peak concentrations of SO4(2-) and NO3(-) were observed on the 10th-15th, 21st-24th, and the 26th-30th during this monitoring campaign. The percentages of SO4(2-) and NH4(+) in total ion concentration increased with the enhancement of PM2.5 concentrations, indicating that high concentrations of SO4(2-) and NH4(+) may play important roles in the formation of haze episodes. The ratio of [NO3(-)]/[SO4(2-)] was calculated, revealing that the sources of SO4(2-) would contribute more to the formation of PM2.5 than mobile sources. Diurnal variations of SO4(2-), NO3(-), NH4(+) (SNA) exhibited a similar pattern, with high concentrations at night and low levels during the day, revealing that meteorological conditions, such as mixing layer height, relative humidity, were likely to be responsible for high levels of SNA at night. The roles of meteorological conditions were further discussed in the formation of secondary inorganic ions. Relative humidity and temperature played key roles and exhibited positive correlations with secondary inorganic ions. An aerosol inorganics simulation model showed that SNA existed mainly in the aqueous phase during the sampling period. Furthermore, potential sources were identified by applying positive matrix factorization model. Secondary nitrate, secondary sulfate, coal combustion and biomass burning, as well as fugitive dust, were considered to be major contributors to total ions.

  7. Heavy haze episodes in Beijing during January 2013: Inorganic ion chemistry and source analysis using highly time-resolved measurements from an urban site.

    PubMed

    Han, Bin; Zhang, Rui; Yang, Wen; Bai, Zhipeng; Ma, Zhiqiang; Zhang, Wenjie

    2016-02-15

    The heavy air pollution that occurred in Beijing in January of 2013 attracted intense attention around the world. During this period, we conducted highly time-resolved measurements of inorganic ions associated with PM2.5 at an urban site of Beijing, and investigated ion chemistry and potential sources. Hourly concentrations of Cl(-), NO3(-), SO4(2-), Na(+), NH4(+), K(+), Mg(2+), and Ca(2+) were measured. Peak concentrations of SO4(2-) and NO3(-) were observed on the 10th-15th, 21st-24th, and the 26th-30th during this monitoring campaign. The percentages of SO4(2-) and NH4(+) in total ion concentration increased with the enhancement of PM2.5 concentrations, indicating that high concentrations of SO4(2-) and NH4(+) may play important roles in the formation of haze episodes. The ratio of [NO3(-)]/[SO4(2-)] was calculated, revealing that the sources of SO4(2-) would contribute more to the formation of PM2.5 than mobile sources. Diurnal variations of SO4(2-), NO3(-), NH4(+) (SNA) exhibited a similar pattern, with high concentrations at night and low levels during the day, revealing that meteorological conditions, such as mixing layer height, relative humidity, were likely to be responsible for high levels of SNA at night. The roles of meteorological conditions were further discussed in the formation of secondary inorganic ions. Relative humidity and temperature played key roles and exhibited positive correlations with secondary inorganic ions. An aerosol inorganics simulation model showed that SNA existed mainly in the aqueous phase during the sampling period. Furthermore, potential sources were identified by applying positive matrix factorization model. Secondary nitrate, secondary sulfate, coal combustion and biomass burning, as well as fugitive dust, were considered to be major contributors to total ions. PMID:26657378

  8. Inorganic hemostats: The state-of-the-art and recent advances.

    PubMed

    Pourshahrestani, Sara; Zeimaran, Ehsan; Djordjevic, Ivan; Kadri, Nahrizul Adib; Towler, Mark R

    2016-01-01

    Hemorrhage is the most common cause of death both in hospitals and on the battlefield. The need for an effective hemostatic agent remains, since all injuries are not amenable to tourniquet use. There are many topical hemostatic agents and dressings available to control severe bleeding. This article reviews the most commonly used inorganic hemostats, subcategorized as zeolite and clay-based hemostats. Their hemostatic functions as well as their structural properties that are believed to induce hemostasis are discussed. The most important findings from in vitro and in vivo experiments are also covered. PMID:26478429

  9. Advanced Experiments in Nuclear Science, Volume I: Advanced Nuclear Physics and Chemistry Experiments.

    ERIC Educational Resources Information Center

    Duggan, Jerome L.; And Others

    The experiments in this manual represent state-of-the-art techniques which should be within the budgetary constraints of a college physics or chemistry department. There are fourteen experiments divided into five modules. The modules are on X-ray fluorescence, charged particle detection, neutron activation analysis, X-ray attenuation, and…

  10. Advanced polymer-inorganic hybrid hard coatings utilizing in situ polymerization method.

    PubMed

    Takaki, Toshihiko; Nishiura, Katsunori; Mizuta, Yasushi; Itou, Yuichi

    2006-12-01

    Hard coatings are frequently used to give plastics high scratch resistance. Coating hardness and adhesion to the substrate are considered to be key factors influencing scratch resistance, but it is difficult to produce coatings that have both properties. Hybridization of polymers and inorganic materials is a promising approach for solving this problem. We prepared polymer-silica hybrid coatings by using in situ polymerization to carry out radical polymerization of vinyl monomers in a sol-gel solution of alkoxysilanes, and measured the abrasion resistance of the coatings. However, the expected properties were not obtained because the sol-gel reaction did not perfectly proceed on the surface of the coatings under the N2 conditions. We found that curing the hybrid coatings by UV irradiation in air promoted the sol-gel reaction on the surface, resulting in coatings having excellent abrasion resistance.

  11. Host-guest chemistry for tuning colloidal solubility, self-organization and photoconductivity of inorganic-capped nanocrystals.

    PubMed

    Bodnarchuk, Maryna I; Yakunin, Sergii; Piveteau, Laura; Kovalenko, Maksym V

    2015-12-09

    Colloidal inorganic nanocrystals (NCs), functionalized with inorganic capping ligands, such as metal chalcogenide complexes (MCCs), have recently emerged as versatile optoelectronic materials. As-prepared, highly charged MCC-capped NCs are dispersible only in highly polar solvents, and lack the ability to form long-range ordered NC superlattices. Here we report a simple and general methodology, based on host-guest coordination of MCC-capped NCs with macrocyclic ethers (crown ethers and cryptands), enabling the solubilization of inorganic-capped NCs in solvents of any polarity and improving the ability to form NC superlattices. The corona of organic molecules can also serve as a convenient knob for the fine adjustment of charge transport and photoconductivity in films of NCs. In particular, high-infrared-photon detectivities of up to 3.3 × 10(11) Jones with a fast response (3 dB cut-off at 3 kHz) at the wavelength of 1,200 nm were obtained with films of PbS/K3AsS4/decyl-18-crown-6 NCs.

  12. Field investigations on the snow chemistry in central and southern California—I. Inorganic ions and hydrogen peroxide

    NASA Astrophysics Data System (ADS)

    Gunz, Dieter W.; Hoffmann, Michael R.

    Measurements of various inorganic species in snow collected in central and southern California during the winter of 1987-1988 indicate a combined influence of anthropogenic and maritime sources, depending on the meteorological conditions and wind patterns. Ion balance calculations revealed that organic acids are significant contributors to the overall chemical budget in snow samples. 60-95% of the total SO 42- was calculated to habe been derived from S(IV) oxidation. H 2O 2 concentrations up to 7.4 μmole ℓ -1 were analyzed in fresh snow. No systematic trends in the concentrations of H 2O 2 were observed during collection periods in marked contrast to the behavior of inorganic species (e.g. Na +, Cl -, SO 42-, NO 3-). H 2O 2 concentrations found in snow were 2-3 times lower than those found in rainwater collected during the same events at a lower elevation site, whereas inorganic ion levels were 2-7 times lower in snow. In an accumulated season snowpack a decrease of [H 2O 2] and an increase of [SO 42-] with depth was observed.

  13. Host-guest chemistry for tuning colloidal solubility, self-organization and photoconductivity of inorganic-capped nanocrystals

    NASA Astrophysics Data System (ADS)

    Bodnarchuk, Maryna I.; Yakunin, Sergii; Piveteau, Laura; Kovalenko, Maksym V.

    2015-12-01

    Colloidal inorganic nanocrystals (NCs), functionalized with inorganic capping ligands, such as metal chalcogenide complexes (MCCs), have recently emerged as versatile optoelectronic materials. As-prepared, highly charged MCC-capped NCs are dispersible only in highly polar solvents, and lack the ability to form long-range ordered NC superlattices. Here we report a simple and general methodology, based on host-guest coordination of MCC-capped NCs with macrocyclic ethers (crown ethers and cryptands), enabling the solubilization of inorganic-capped NCs in solvents of any polarity and improving the ability to form NC superlattices. The corona of organic molecules can also serve as a convenient knob for the fine adjustment of charge transport and photoconductivity in films of NCs. In particular, high-infrared-photon detectivities of up to 3.3 × 1011 Jones with a fast response (3 dB cut-off at 3 kHz) at the wavelength of 1,200 nm were obtained with films of PbS/K3AsS4/decyl-18-crown-6 NCs.

  14. Host–guest chemistry for tuning colloidal solubility, self-organization and photoconductivity of inorganic-capped nanocrystals

    PubMed Central

    Bodnarchuk, Maryna I.; Yakunin, Sergii; Piveteau, Laura; Kovalenko, Maksym V.

    2015-01-01

    Colloidal inorganic nanocrystals (NCs), functionalized with inorganic capping ligands, such as metal chalcogenide complexes (MCCs), have recently emerged as versatile optoelectronic materials. As-prepared, highly charged MCC-capped NCs are dispersible only in highly polar solvents, and lack the ability to form long-range ordered NC superlattices. Here we report a simple and general methodology, based on host–guest coordination of MCC-capped NCs with macrocyclic ethers (crown ethers and cryptands), enabling the solubilization of inorganic-capped NCs in solvents of any polarity and improving the ability to form NC superlattices. The corona of organic molecules can also serve as a convenient knob for the fine adjustment of charge transport and photoconductivity in films of NCs. In particular, high-infrared-photon detectivities of up to 3.3 × 1011 Jones with a fast response (3 dB cut-off at 3 kHz) at the wavelength of 1,200 nm were obtained with films of PbS/K3AsS4/decyl-18-crown-6 NCs. PMID:26647828

  15. Development and application of a two-tier multiple choice diagnostic instrument to assess high school students' understanding of inorganic chemistry qualitative analysis

    NASA Astrophysics Data System (ADS)

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

    2002-04-01

    This article describes the development and application of a two-tier multiple choice diagnostic instrument to assess high school students' understanding of inorganic chemistry qualitative analysis. The development of the diagnostic instrument was guided by the framework outlined by Treagust. The instrument was administered to 915 Grade 10 students (15 to 17 years old) from 11 schools after they had learned the theory involved in qualitative analysis and after a series of qualitative analysis practical sessions. The Cronbach alpha reliability of the instrument was .68, the facility indices ranged from .17 to .48, and the discrimination indices ranged from .20 to .53. The study showed that the Grade 10 students had difficulty understanding the reactions involved in the identification of cations and anions, for example, double decomposition reactions, the formation and reaction of complex salts, and thermal decomposition. The findings of the study and literature on practical work were used to develop a qualitative analysis teaching package.

  16. Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

    SciTech Connect

    Ryan, R.R.

    1982-05-01

    This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research.

  17. Electronic Transitions as a Probe of Tetrahedral versus Octahedral Coordination in Nickel(II) Complexes: An Undergraduate Inorganic Chemistry Experiment.

    ERIC Educational Resources Information Center

    Filgueiras, Carlos A. L.; Carazza, Fernando

    1980-01-01

    Discusses procedures, theoretical considerations, and results of an experiment involving the preparation of a tetrahedral nickel(II) complex and its transformation into an octahedral species. Suggests that fundamental aspects of coordination chemistry can be demonstrated by simple experiments performed in introductory level courses. (Author/JN)

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

    ERIC Educational Resources Information Center

    Boffa, Vittorio; Yue, Yuanzheng; He, Wen

    2012-01-01

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

  19. A Copper-Sulfate-Based Inorganic Chemistry Laboratory for First-Year University Students That Teaches Basic Operations and Concepts.

    ERIC Educational Resources Information Center

    Rodriguez, Emilio; Vicente, Miguel Angel

    2002-01-01

    Presents a 10-hour chemistry experiment using copper sulfate that has three steps: (1) purification of an ore containing copper sulfate and insoluble basic copper sulfates; (2) determination of the number of water molecules in hydrated copper sulfate; and (3) recovery of metallic copper from copper sulfate. (Author/YDS)

  20. High School Students' Attitudes and Beliefs on Using the Science Writing Heuristic in an Advanced Placement Chemistry Class

    ERIC Educational Resources Information Center

    Putti, Alice

    2011-01-01

    This paper discusses student attitudes and beliefs on using the Science Writing Heuristic (SWH) in an advanced placement (AP) chemistry classroom. During the 2007 school year, the SWH was used in a class of 24 AP chemistry students. Using a Likert-type survey, student attitudes and beliefs on the process were determined. Methods for the study are…

  1. Advances in nanoscale alloys and intermetallics: low temperature solution chemistry synthesis and application in catalysis.

    PubMed

    Jana, Subhra

    2015-11-21

    Based on the bottom-up chemistry techniques, the size, shape, and composition controlled synthesis of nanoparticles can now be achieved uniformly, which is of great importance to the nanoscience community as well as in modern catalysis research. The low-temperature solution-phase synthesis approach represents one of the most attractive strategies and has been utilized to synthesize nanoscale metals, alloys and intermetallics, including a number of new metastable phases. This perspective will highlight the solution-based nanoparticle synthesis techniques, a low-temperature platform, for the synthesis of size and shape-tunable nanoscale transition metals, alloys, and intermetallics from the literature, keeping a focus on the utility of these nanomaterials in understanding the catalysis. For each solution-based nanoparticle synthesis technique, a comprehensive overview has been given for the reported nanoscale metals, alloys, and intermetallics, followed by critical comments. Finally, their enhanced catalytic activity and durability as novel catalysts have been discussed towards several hydrogenation/dehydrogenation reactions and also for different inorganic to organic reactions. Hence, the captivating advantages of this controllable low-temperature solution chemistry approach have several important implications and together with them this approach provides a promising route to the development of next-generation nanostructured metals, alloys, and intermetallics since they possess fascinating properties as well as outstanding catalytic activity. PMID:26477400

  2. Major ion chemistry and dissolved inorganic carbon cycling in a human-disturbed mountainous river (the Luodingjiang River) of the Zhujiang (Pearl River), China.

    PubMed

    Zhang, Shurong; Lu, X X; Sun, Huiguo; Han, Jingtai; Higgitt, David Laurence

    2009-04-01

    Major ion chemistry and dissolved inorganic carbon system (DIC, mainly HCO3(-) and gaseous CO2) in the Luodingjiang River, a mountainous tributary of the Zhujiang (Pearl River), China, were examined based on a seasonal and spatial sampling scheme in 2005. The diverse distribution of lithology and anthropogenic impacts in the river basin provided the basic idea to assess the effects of lithology vs. human activities on water chemistry and carbon biogeochemistry in river systems. Major ions showed great spatial variations, with higher concentrations of total dissolved solids (TDS) and DIC in the regions with carbonate rocks and clastic sedimentary rocks, while lower in the regions with metamorphic sandstones and schists as well as granites. pCO2 at all sampling sites was oversaturated in June, ranging with a factor from 1.6 to 18.8 of the atmospheric concentration, reflecting the enhanced contribution from baseflow and interflow influx as well as in situ oxidation of organic matter. However, in April and December, undersaturated pCO2 was found in some shallow, clean rivers in the upstream regions. delta13C of DIC has a narrow range from -9.07 to -13.59 per thousand, which was more depleted in the regions with metamorphic rocks and granites than in the carbonate regions. Seasonally, it was slightly more depleted in the dry season (December) than in the wet season (June). The results suggested that lithological variability had a dominant control on spatial variations of water chemistry and carbon geochemistry in river systems. Besides, anthropogenic activities, such as agricultural and urban activities and in-stream damming, as well as river physical properties, such as water depth and transparency, also indicated their impacts. The seasonal variations likely reflected the changes of hydrological regime, as well as metabolic processes in the river.

  3. Major ion chemistry and dissolved inorganic carbon cycling in a human-disturbed mountainous river (the Luodingjiang River) of the Zhujiang (Pearl River), China.

    PubMed

    Zhang, Shurong; Lu, X X; Sun, Huiguo; Han, Jingtai; Higgitt, David Laurence

    2009-04-01

    Major ion chemistry and dissolved inorganic carbon system (DIC, mainly HCO3(-) and gaseous CO2) in the Luodingjiang River, a mountainous tributary of the Zhujiang (Pearl River), China, were examined based on a seasonal and spatial sampling scheme in 2005. The diverse distribution of lithology and anthropogenic impacts in the river basin provided the basic idea to assess the effects of lithology vs. human activities on water chemistry and carbon biogeochemistry in river systems. Major ions showed great spatial variations, with higher concentrations of total dissolved solids (TDS) and DIC in the regions with carbonate rocks and clastic sedimentary rocks, while lower in the regions with metamorphic sandstones and schists as well as granites. pCO2 at all sampling sites was oversaturated in June, ranging with a factor from 1.6 to 18.8 of the atmospheric concentration, reflecting the enhanced contribution from baseflow and interflow influx as well as in situ oxidation of organic matter. However, in April and December, undersaturated pCO2 was found in some shallow, clean rivers in the upstream regions. delta13C of DIC has a narrow range from -9.07 to -13.59 per thousand, which was more depleted in the regions with metamorphic rocks and granites than in the carbonate regions. Seasonally, it was slightly more depleted in the dry season (December) than in the wet season (June). The results suggested that lithological variability had a dominant control on spatial variations of water chemistry and carbon geochemistry in river systems. Besides, anthropogenic activities, such as agricultural and urban activities and in-stream damming, as well as river physical properties, such as water depth and transparency, also indicated their impacts. The seasonal variations likely reflected the changes of hydrological regime, as well as metabolic processes in the river. PMID:19185905

  4. Advancing Chemistry with the Lanthanide and Actinide Elements Final Report, September 2013

    SciTech Connect

    Evans, William John

    2013-09-11

    The objective of this research is to use the unique chemistry available from complexes of the lanthanides and actinides, as well as related heavy metals such as scandium, yttrium, and bismuth to advance chemistry in energy-related areas. The lanthanides and actinides have a combination of properties in terms of size, charge, electropositive character, and f valence orbitals that provides special opportunities to probe reactivity and catalysis in ways not possible with the other metals in the periodic table. We seek to discover reaction pathways and structural types that reveal new options in reaction chemistry related to energy. Identification of new paradigms in structure and reactivity should stimulate efforts to develop new types of catalytic processes that at present are not under consideration because either the transformation or the necessary intermediates are unknown. This project is one half of my laboratory’s DOE research which was split 50:50 between Catalysis and Heavy Element Chemistry programs in 2010. Hence, this report is for a half-project.

  5. Chemistry Division annual progress report for period ending April 30, 1993

    SciTech Connect

    Poutsma, M.L.; Ferris, L.M.; Mesmer, R.E.

    1993-08-01

    The Chemistry Division conducts basic and applied chemical research on projects important to DOE`s missions in sciences, energy technologies, advanced materials, and waste management/environmental restoration; it also conducts complementary research for other sponsors. The research are arranged according to: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, chemistry of advanced inorganic materials, structure and dynamics of advanced polymeric materials, chemistry of transuranium elements and compounds, chemical and structural principles in solvent extraction, surface science related to heterogeneous catalysis, photolytic transformations of hazardous organics, DNA sequencing and mapping, and special topics.

  6. Recent Advances in the Chemistry and Biology of Naturally Occurring Antibiotics

    PubMed Central

    Chen, Jason S.; Edmonds, David J.; Estrada, Anthony A.

    2009-01-01

    Lead-in Ever since the world-shaping discovery of penicillin, nature’s molecular diversity has been extensively screened for new medications and lead compounds in drug discovery. The search for anti-infective agents intended to combat infectious diseases has been of particular interest and has enjoyed a high degree of success. Indeed, the history of antibiotics is marked with impressive discoveries and drug development stories, the overwhelming majority of which have their origins in nature. Chemistry, and in particular chemical synthesis, has played a major role in bringing naturally occurring antibiotics and their derivatives to the clinic, and no doubt these disciplines will continue to be key enabling technologies for future developments in the field. In this review article, we highlight a number of recent discoveries and advances in the chemistry, biology, and medicine of naturally occurring antibiotics, with particular emphasis on the total synthesis, analog design, and biological evaluation of molecules with novel mechanisms of action. PMID:19130444

  7. Inorganic and organic ground-water chemistry in the Canal Creek area of Aberdeen Proving Ground, Maryland

    USGS Publications Warehouse

    Lorah, M.M.; Vroblesky, D.A.

    1989-01-01

    Groundwater chemical data were collected from November 1986 through April 1987 in the first phase of a 5-year study to assess the possibility of groundwater contamination in the Canal Creek area of Aberdeen Proving Ground, Maryland. Water samples were collected from 87 observation wells screened in Coastal Plain sediments; 59 samples were collected from the Canal Creek aquifer, 18 from the overlying surficial aquifer, and 10 from the lower confined aquifer. Dissolved solids, chloride, iron, manganese, fluoride, mercury, and chromium are present in concentrations that exceed the Federal maximum contaminant levels for drinking water. Elevated chloride and dissolved-solids concentrations appear to be related from contaminant plumes but also could result from brackish-water intrusion. Excessive concentrations of iron and manganese were the most extensive water quality problems found among the inorganic constituents and are derived from natural dissolution of minerals and oxide coatings in the aquifer sediments. Volatile organic compounds are present in the Canal Creek and surficial aquifers, but samples from the lower confined aquifer do not show any evidence of contamination by inorganic or organic chemicals. The volatile organic contaminants detected in the groundwater and their maximum concentrations (in micrograms/L) include 1,1,2,2- tetrachloroethane (9,000); carbon tetrachloride (480); chloroform (460); 1,1,2-trichloroethane (80); 1,2-dichloroethane (990); 1,1-dichloroethane (3.1); tetrachloroethylene (100); trichloroethylene (1,800); 1,2-trans- dichloroethylene (1,200); 1,1-dichloroethylene (4.4); vinyl chloride (140); benzene (70); and chlorobenzene (39). On the basis of information on past activities in the study area, some sources of the volatile organic compounds include: (1) decontaminants and degreasers; (2) clothing-impregnating operations; (3) the manufacture of impregnite material; (4) the manufacture of tear gas; and (5) fuels used in garages and at

  8. Inorganic carbon acquisition in potentially toxic and non-toxic diatoms: the effect of pH-induced changes in seawater carbonate chemistry.

    PubMed

    Trimborn, Scarlett; Lundholm, Nina; Thoms, Silke; Richter, Klaus-Uwe; Krock, Bernd; Hansen, Per Juel; Rost, Björn

    2008-05-01

    The effects of pH-induced changes in seawater carbonate chemistry on inorganic carbon (C(i)) acquisition and domoic acid (DA) production were studied in two potentially toxic diatom species, Pseudo-nitzschia multiseries and Nitzschia navis-varingica, and the non-toxic Stellarima stellaris. In vivo activities of carbonic anhydrase (CA), photosynthetic O(2) evolution and CO(2) and HCO(3)(-) uptake rates were measured by membrane inlet MS in cells acclimated to low (7.9) and high pH (8.4 or 8.9). Species-specific differences in the mode of carbon acquisition were found. While extracellular carbonic anhydrase (eCA) activities increased with pH in P. multiseries and S. stellaris, N. navis-varingica exhibited low eCA activities independent of pH. Half-saturation concentrations (K(1/2)) for photosynthetic O(2) evolution, which were highest in S. stellaris and lowest in P. multiseries, generally decreased with increasing pH. In terms of carbon source, all species took up both CO(2) and HCO(3)(-). K(1/2) values for inorganic carbon uptake decreased with increasing pH in two species, while in N. navis-varingica apparent affinities did not change. While the contribution of HCO(3)(-) to net fixation was more than 85% in S. stellaris, it was about 55% in P. multiseries and only approximately 30% in N. navis-varingica. The intracellular content of DA increased in P. multiseries and N. navis-varingica with increasing pH. Based on our data, we propose a novel role for eCA acting as C(i)-recycling mechanism. With regard to pH-dependence of growth, the 'HCO(3)(-) user' S. stellaris was as sensitive as the 'CO(2) user' N. navis-varingica. The suggested relationship between DA and carbon acquisition/C(i) limitation could not be confirmed. PMID:18405335

  9. Fabrication of advanced organic-inorganic nanocomposite coatings for biomedical applications by electrodeposition

    NASA Astrophysics Data System (ADS)

    Pang, Xin

    Novel electrodeposition strategies have been developed for the fabrication of thick adherent zirconia ceramic and composite coatings for biomedical applications. The new method is based on the electrophoretic deposition (EPD) of polyelectrolyte additives combined with the cathodic precipitation of zirconia. The method enables the room-temperature electrosynthesis of crystalline zirconia nanoparticles in the polymer matrix. Adherent crack-free coatings up to several microns thick were obtained. The deposits were studied by thermogravimetric and differential thermal analysis, X-ray diffraction analysis, scanning and transmission electron microscopy, and atomic force microscopy. Obtained results pave the way for electrodeposition of other ceramic-polymer composites. Novel advanced nanocomposite coatings based on bioceramic hydroxyapatite (HA) have been developed for the surface modification of orthopaedic and dental implant metals. HA nanopartic1es prepared by a chemical precipitation method were used for the fabrication of novel HA-chitosan nanocomposite coatings. The use of chitosan enables room-temperature fabrication of the composite coatings. The problems related to the sintering of HA can be avoided. A new electrodeposition strategy, based on the EPD of HA nanoparticles and electrochemical deposition of chitosan macromolecules, has been developed. The method enabled the formation of dense, adherent and uniform coatings of various thicknesses in the range of up to 60 mum. Bioactive composite coatings containing 40.9-89.8 wt% HA were obtained. The deposit composition and microstructure can be tailored by varying the chitosan and HA concentrations in the deposition bath. A mathematical model describing the formation of the HA-chitosan composite deposit has been developed. X-ray studies revealed preferred orientation of HA nanoparticles in the nanocomposites. Obtained coatings provide corrosion protection of the substrates and can be utilized for the fabrication of

  10. FORUM: Bioinspired Heme, Heme/non-heme Diiron, Heme/copper and Inorganic NOx Chemistry: ·NO(g) Oxidation, Peroxynitrite-Metal Chemistry and ·NO(g) Reductive Coupling

    PubMed Central

    Schopfer, Mark P.; Wang, Jun; Karlin, Kenneth D.

    2010-01-01

    The focus of this Forum review highlights work from our own laboratories and those of others in the area of biochemical and biologically inspired inorganic chemistry dealing with nitric oxide (nitrogen monoxide, ·NO(g)) and its biological roles and reactions. The latter focus is on (i) oxidation of ·NO(g) to nitrate by nitric oxide dioxygenases (NOD’s), and (ii) reductive coupling of two molecules of ·NO(g) to give N2O(g). In the former case, NOD’s are described and the highlighting of possible peroxynitrite-heme intermediates and consequences of this are given by discussion of recent works with myoglobin and a synthetic heme model system for NOD action. Summaries of recent copper complex chemistries with ·NO(g) and O2(g) leading to peroxynitrite species are given. The coverage of biological reductive coupling of ·NO(g) deals with bacterial nitric oxide reductases (NOR’s) with heme/non-heme diiron active sites, and on heme/Cu oxidases such as cytochrome c oxidase which can mediate the same chemistry. Recent designed protein and synthetic model compound (heme/non-heme diiron or heme/copper) as functional mimics are discussed in some detail. We also highlight examples from the chemical literature, not necessarily involving biologically relevant metal ions, which describe the oxidation of ·NO(g) to nitrate (or nitrite) and possible peroxynitrite intermediates, or reductive coupling of ·NO(g) to give nitrous oxide. PMID:20666386

  11. Inorganic chemistry of water and bed sediment in selected tributaries of the south Umpqua River, Oregon, 1998

    USGS Publications Warehouse

    Hinkle, Stephen R.

    1999-01-01

    Ten sites on small South Umpqua River tributaries were sampled for inorganic constituents in water and streambed sediment. In aqueous samples, high concentrations (concentrations exceeding U.S. Environmental Protection Agency criterion continuous concentration for the protection of aquatic life) of zinc, copper, and cadmium were detected in Middle Creek at Silver Butte, and the concentration of zinc was high at Middle Creek near Riddle. Similar patterns of trace-element occurrence were observed in streambed-sediment samples.The dissolved aqueous load of zinc carried by Middle Creek along the stretch between the upper site (Middle Creek at Silver Butte) and the lower site (Middle Creek near Riddle) decreased by about 0.3 pounds per day. Removal of zinc from solution between the upper and lower sites on Middle Creek evidently was occurring at the time of sampling. However, zinc that leaves the aqueous phase is not necessarily permanently lost from solution. For example, zinc solubility is pH-dependent, and a shift between solid and aqueous phases towards release of zinc to solution in Middle Creek could occur with a perturbation in stream-water pH. Thus, at least two potentially significant sources of zinc may exist in Middle Creek: (1) the upstream source(s) producing the observed high aqueous zinc concentrations and (2) the streambed sediment itself (zinc-bearing solid phases and/or adsorbed zinc). Similar behavior may be exhibited by copper and cadmium because these trace elements also were present at high concentrations in streambed sediment in the Middle Creek Basin.

  12. Advances in methods and algorithms in a modern quantum chemistry program package.

    PubMed

    Shao, Yihan; Molnar, Laszlo Fusti; Jung, Yousung; Kussmann, Jörg; Ochsenfeld, Christian; Brown, Shawn T; Gilbert, Andrew T B; Slipchenko, Lyudmila V; Levchenko, Sergey V; O'Neill, Darragh P; DiStasio, Robert A; Lochan, Rohini C; Wang, Tao; Beran, Gregory J O; Besley, Nicholas A; Herbert, John M; Lin, Ching Yeh; Van Voorhis, Troy; Chien, Siu Hung; Sodt, Alex; Steele, Ryan P; Rassolov, Vitaly A; Maslen, Paul E; Korambath, Prakashan P; Adamson, Ross D; Austin, Brian; Baker, Jon; Byrd, Edward F C; Dachsel, Holger; Doerksen, Robert J; Dreuw, Andreas; Dunietz, Barry D; Dutoi, Anthony D; Furlani, Thomas R; Gwaltney, Steven R; Heyden, Andreas; Hirata, So; Hsu, Chao-Ping; Kedziora, Gary; Khalliulin, Rustam Z; Klunzinger, Phil; Lee, Aaron M; Lee, Michael S; Liang, Wanzhen; Lotan, Itay; Nair, Nikhil; Peters, Baron; Proynov, Emil I; Pieniazek, Piotr A; Rhee, Young Min; Ritchie, Jim; Rosta, Edina; Sherrill, C David; Simmonett, Andrew C; Subotnik, Joseph E; Woodcock, H Lee; Zhang, Weimin; Bell, Alexis T; Chakraborty, Arup K; Chipman, Daniel M; Keil, Frerich J; Warshel, Arieh; Hehre, Warren J; Schaefer, Henry F; Kong, Jing; Krylov, Anna I; Gill, Peter M W; Head-Gordon, Martin

    2006-07-21

    Advances in theory and algorithms for electronic structure calculations must be incorporated into program packages to enable them to become routinely used by the broader chemical community. This work reviews advances made over the past five years or so that constitute the major improvements contained in a new release of the Q-Chem quantum chemistry package, together with illustrative timings and applications. Specific developments discussed include fast methods for density functional theory calculations, linear scaling evaluation of energies, NMR chemical shifts and electric properties, fast auxiliary basis function methods for correlated energies and gradients, equation-of-motion coupled cluster methods for ground and excited states, geminal wavefunctions, embedding methods and techniques for exploring potential energy surfaces. PMID:16902710

  13. A Study on Advanced Lithium-Based Battery Cell Chemistries to Enhance Lunar Exploration Missions

    NASA Technical Reports Server (NTRS)

    Reid, Concha; Bennett, William

    2009-01-01

    NASA's Exploration Technology Development Program (ETDP) Energy Storage Project conducted an advanced lithium-based battery chemistry feasibility study to determine the best advanced chemistry to develop for the Altair lunar lander and the Extravehicular Activities (EVA) advanced lunar surface spacesuit. These customers require safe, reliable energy storage systems with extremely high specific energy as compared to today's state-of-the-art batteries. Based on customer requirements, the specific energy goals for the development project are 220 watt-hours per kilogram (Wh/kg) delivered at the battery level at 0 degrees Celsius (degrees Celcius) at a C/10 discharge rate. Continuous discharge rates between C/5 and C/2, operation over 0 to 30 degrees C, and 200 cycles are targeted. The team, consisting of members from NASA Glenn Research Center, Johnson Space Center, and Jet Propulsion laboratory, surveyed the literature, compiled information on recent materials developments, and consulted with other battery experts in the community to identify advanced battery materials that might be capable of achieving the desired results with further development. A variety of electrode materials were considered, including layered metal oxides, spinel oxides, and olivine-type cathode materials, and lithium metal, lithium alloy, and silicon-based composite anode materials. lithium-sulfur systems were also considered. Hypothetical cell constructs that combined compatible anode and cathode materials with suitable electrolytes, separators, current collectors, headers, and cell enclosures were modeled. While some of these advanced materials are projected to obtain the desired electrical performance, there are risks that also factored into the decision making process. The risks include uncertainties due to issues such as safety of a system containing some of these materials, ease of scaling-up of large batches of raw materials, adaptability of the materials to processing using established

  14. Single crystal neutron diffraction for the inorganic chemist - a practical guide.

    SciTech Connect

    Piccoli, P.; Koetzle, T. F.; Schultz, A. J.; Intense Pulsed Neutron Source

    2007-01-01

    Advances and upgrades in neutron sources and instrumentation are poised to make neutron diffraction more accessible to inorganic chemists than ever before. These improvements will pave the way for single crystal investigations that currently may be difficult, for example due to small crystal size or large unit cell volume. This article aims to highlight what can presently be achieved in neutron diffraction and looks forward toward future applications of neutron scattering in inorganic chemistry.

  15. Inorganic ground-water chemistry at an experimental New Albany Shale (Devonian-Mississippian) in situ gasification site

    USGS Publications Warehouse

    Branam, T.D.; Comer, J.B.; Shaffer, N.R.; Ennis, M.V.; Carpenter, S.H.

    1991-01-01

    Experimental in situ gasification of New Albany Shale (Devonian-Mississippian) has been conducted in Clark County. Analyses of ground water sampled from a production well and nine nearby monitoring wells 3 months after a brief in situ gasification period revealed changes in water chemistry associated with the gasification procedure. Dissolved iron, calcium and sulphate in ground water from the production well and wells as much as 2 m away were significantly higher than in ground water from wells over 9 m away. Dissolved components in the more distant wells are in the range of those in regional ground water. Thermal decomposition of pyrite during the gasification process generated the elevated levels of iron and sulphate in solution. High concentrations of calcium indicate buffering by dissolution of carbonate minerals. While iron quickly precipitates, calcium and sulphate remain in the ground water. Trends in the concentration of sulphate show that altered ground water migrated mostly in a south-westerly direction from the production well along natural joints in the New Albany Shale. ?? 1991.

  16. A One-Pot Synthesis of m-Terphenyls: A Guided Exploration of Reaction Chemistry, Chromatography, and Spectroscopy. A Miniproject for the Advanced Organic Chemistry Laboratory

    NASA Astrophysics Data System (ADS)

    Anam, Kishorekumar T.; Curtis, Michael P.; Irfan, Muhammad J.; Johnson, Michael P.; Royer, Andrew P.; Shahmohammadi, Kianor; Vinod, Thottumkara K.

    2002-05-01

    This four-week project-based laboratory exercise, developed for advanced organic chemistry students, involves a one-pot synthesis of m-terphenyls. Chemistry of aryl diazonium salts and Grignard reagents and reactivity of aryne intermediates toward nucleophilic reagents form the reaction chemistry basis for the project. The project exposes students to a number of important laboratory techniques (thin-layer chromatography, gas chromatography-mass spectrometry, and column chromatography) for monitoring reaction progress and product isolation. A variety of spectroscopic techniques, including IR, 1H NMR, 13C NMR, and attached proton test are used for product characterization. Students are also introduced to a useful empirical relationship to help predict (with considerable accuracy) the 13C chemical shift values of carbon atoms of substituted benzenes.

  17. CLUSTER CHEMISTRY

    SciTech Connect

    Muetterties, Earl L.

    1980-05-01

    Metal cluster chemistry is one of the most rapidly developing areas of inorganic and organometallic chemistry. Prior to 1960 only a few metal clusters were well characterized. However, shortly after the early development of boron cluster chemistry, the field of metal cluster chemistry began to grow at a very rapid rate and a structural and a qualitative theoretical understanding of clusters came quickly. Analyzed here is the chemistry and the general significance of clusters with particular emphasis on the cluster research within my group. The importance of coordinately unsaturated, very reactive metal clusters is the major subject of discussion.

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

    SciTech Connect

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

    2014-11-13

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

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

    DOE PAGES

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

    2014-11-13

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

  20. Chemistry of Metal-organic Frameworks Monitored by Advanced X-ray Diffraction and Scattering Techniques.

    PubMed

    Mazaj, Matjaž; Kaučič, Venčeslav; Zabukovec Logar, Nataša

    2016-01-01

    The research on metal-organic frameworks (MOFs) experienced rapid progress in recent years due to their structure diversity and wide range of application opportunities. Continuous progress of X-ray and neutron diffraction methods enables more and more detailed insight into MOF's structural features and significantly contributes to the understanding of their chemistry. Improved instrumentation and data processing in high-resolution X-ray diffraction methods enables the determination of new complex MOF crystal structures in powdered form. By the use of neutron diffraction techniques, a lot of knowledge about the interaction of guest molecules with crystalline framework has been gained in the past few years. Moreover, in-situ time-resolved studies by various diffraction and scattering techniques provided comprehensive information about crystallization kinetics, crystal growth mechanism and structural dynamics triggered by external physical or chemical stimuli. The review emphasizes most relevant advanced structural studies of MOFs based on powder X-ray and neutron scattering. PMID:27640372

  1. Chemistry of Metal-organic Frameworks Monitored by Advanced X-ray Diffraction and Scattering Techniques.

    PubMed

    Mazaj, Matjaž; Kaučič, Venčeslav; Zabukovec Logar, Nataša

    2016-01-01

    The research on metal-organic frameworks (MOFs) experienced rapid progress in recent years due to their structure diversity and wide range of application opportunities. Continuous progress of X-ray and neutron diffraction methods enables more and more detailed insight into MOF's structural features and significantly contributes to the understanding of their chemistry. Improved instrumentation and data processing in high-resolution X-ray diffraction methods enables the determination of new complex MOF crystal structures in powdered form. By the use of neutron diffraction techniques, a lot of knowledge about the interaction of guest molecules with crystalline framework has been gained in the past few years. Moreover, in-situ time-resolved studies by various diffraction and scattering techniques provided comprehensive information about crystallization kinetics, crystal growth mechanism and structural dynamics triggered by external physical or chemical stimuli. The review emphasizes most relevant advanced structural studies of MOFs based on powder X-ray and neutron scattering.

  2. Superspace crystallography: a key to the chemistry and properties

    PubMed Central

    Pinheiro, Carlos Basílio; Abakumov, Artem M.

    2015-01-01

    An overview is given of the recent advances in the field of modulated molecular and inorganic crystals with an emphasis on the links between incommensurability, intermolecular and interatomic interactions and, wherever possible, the properties of the materials. The importance of detailed knowledge on the modulated structure for understanding the crystal chemistry and the functional properties of modulated phases is shown using selected examples of incommensurate modulations in organic molecular compounds and inorganic complex oxides. PMID:25610634

  3. An Advanced Analytical Chemistry Experiment Using Gas Chromatography-Mass Spectrometry, MATLAB, and Chemometrics to Predict Biodiesel Blend Percent Composition

    ERIC Educational Resources Information Center

    Pierce, Karisa M.; Schale, Stephen P.; Le, Trang M.; Larson, Joel C.

    2011-01-01

    We present a laboratory experiment for an advanced analytical chemistry course where we first focus on the chemometric technique partial least-squares (PLS) analysis applied to one-dimensional (1D) total-ion-current gas chromatography-mass spectrometry (GC-TIC) separations of biodiesel blends. Then, we focus on n-way PLS (n-PLS) applied to…

  4. Using an Advanced Computational Laboratory Experiment to Extend and Deepen Physical Chemistry Students' Understanding of Atomic Structure

    ERIC Educational Resources Information Center

    Hoffman, Gary G.

    2015-01-01

    A computational laboratory experiment is described, which involves the advanced study of an atomic system. The students use concepts and techniques typically covered in a physical chemistry course but extend those concepts and techniques to more complex situations. The students get a chance to explore the study of atomic states and perform…

  5. SUPPORT FOR CHEMISTRY SYMPOSIA AT THE 2011 AMERICAN ASSOCIATION FOR THE ADVANCEMENT OF SCIENCE MEETING FEBRUARY 17-21, 2011

    SciTech Connect

    Prof. Charles Casey, University of Wisconsin-Madison

    2011-08-20

    This proposal supported Chemistry Symposia at the 2011 American Association for the Advancement of Science (AAAS) Meeting in Washington, DC February 17-21, 2011. The Chemistry Section of AAAS presented an unusually strong set of symposia for the 2011 AAAS meeting to help celebrate the 2011 International Year of Chemistry. The AAAS meeting provided an unusual opportunity to convey the excitement and importance of chemistry to a very broad audience and allowed access to a large contingent of the scientific press. Excellent suggestions for symposia were received from AAAS Chemistry Fellows and from the chairs of the American Chemical Society Technical Divisions. The AAAS Chemistry executive committee selected topics that would have wide appeal to scientists, the public, and the press for formal proposals of symposia. The symposia proposals were peer reviewed by AAAS. The Chemistry Section made a strong case to the program selection committee for approval of the chemistry symposia and 6 were approved for the 2011 annual meeting. The titles of the approved symposia were: (1) Powering the Planet: Generation of Clean Fuels from Sunlight and Water, (2) Biological Role and Consequences of Intrinsic Protein Disorder, (3) Chemically Speaking: How Organisms Talk to Each Other, (4) Molecular Self-Assembly and Artificial Molecular Machines, (5) Frontiers in Organic Materials for Information Processing, Energy and Sensors, and (6) Celebrating Marie Curie's 100th Anniversary of Her Nobel Prize in Chemistry. The Chemistry Section of AAAS is provided with funds to support only 1-2 symposia a year. Because of the much greater number of symposia approved in conjunction with observance of the 2011 International Year of Chemistry, additional support was sought from DOE to help support the 30 invited speakers and 8 symposia moderators/organizers. Support for the symposia provided the opportunity to highlight the excitement of current chemical research, to educate the public about the

  6. Support for chemistry symposia at the 2011 American Association for the Advancement of Science meeting, February 17-21 2011

    SciTech Connect

    Charles Casey

    2011-08-20

    This proposal supported Chemistry Symposia at the 2011 American Association for the Advancement of Science (AAAS) Meeting in Washington, DC February 17-21, 2011. The Chemistry Section of AAAS presented an unusually strong set of symposia for the 2011 AAAS meeting to help celebrate the 2011 International Year of Chemistry. The AAAS meeting provided an unusual opportunity to convey the excitement and importance of chemistry to a very broad audience and allowed access to a large contingent of the scientific press. Excellent suggestions for symposia were received from AAAS Chemistry Fellows and from the chairs of the American Chemical Society Technical Divisions. The AAAS Chemistry executive committee selected topics that would have wide appeal to scientists, the public, and the press for formal proposals of symposia. The symposia proposals were peer reviewed by AAAS. The Chemistry Section made a strong case to the program selection committee for approval of the chemistry symposia and 6 were approved for the 2011 annual meeting. The titles of the approved symposia were: (1) Powering the Planet: Generation of Clean Fuels from Sunlight and Water, (2) Biological Role and Consequences of Intrinsic Protein Disorder, (3) Chemically Speaking: How Organisms Talk to Each Other, (4) Molecular Self-Assembly and Artificial Molecular Machines, (5) Frontiers in Organic Materials for Information Processing, Energy and Sensors, and (6) Celebrating Marie Curie's 100th Anniversary of Her Nobel Prize in Chemistry. The Chemistry Section of AAAS is provided with funds to support only 1-2 symposia a year. Because of the much greater number of symposia approved in conjunction with observance of the 2011 International Year of Chemistry, additional support was sought from DOE to help support the 30 invited speakers and 8 symposia moderators/organizers. Support for the symposia provided the opportunity to highlight the excitement of current chemical research, to educate the public about the

  7. Inorganic chemistry: Deconstructing water oxidation

    NASA Astrophysics Data System (ADS)

    Cook, Sarah A.; Borovik, A. S.

    2013-04-01

    During photosynthesis, the oxygen-evolving complex oxidizes water to produce molecular oxygen. Now, a possible role for the calcium ion in this complex has been proposed based on the electrochemical properties of a series of synthetic heterometallic clusters.

  8. Recent trends and advances in food chemistry and analysis: research highlights from the IX Italian Congress of Food Chemistry.

    PubMed

    Novellino, Ettore; Ritieni, Alberto; Rastrelli, Luca

    2013-02-27

    The IX Italian Congress of Food Chemistry (ChimAlSi_2012) contributed 12 lectures, 66 conferences, and 290 posters to the wealth of food knowledge; these were presented in four sessions: food safety, analytical techniques, bioactive compounds, and nutraceuticals. Emerging topics were discussed in two workshops dealing with food contaminants, and food and health. It has been an excellent forum for passionate exchange of recent results obtained in traditional and emerging fields of food chemistry. The symposium allowed coverage of the broad diversity of food-related topics, comprising food contaminants and food quality and the application of analytical approaches, such as sensorial, physical, chemical, spectroscopic, hyphenated mass spectrometric, biological and chemometric techniques, as well as nutrition and health aspects.

  9. Development of an Interdisciplinary Experimental Series for the Laboratory Courses of Cell and Molecular Biology and Advance Inorganic Chemistry

    ERIC Educational Resources Information Center

    Smith, Montserrat Rabago; McAllister, Robert; Newkirk, Kiera; Basing, Alexander; Wang, Lihua

    2012-01-01

    An interdisciplinary approach to education has become more important in the development of science and technology, which requires universities to have graduates with broad knowledge and skills and to apply these skills in solving real-world problems. An interdisciplinary experimental series has been developed for the laboratories in cell and…

  10. Synthesis of a Photoluminescent and Triboluminescent Copper(I) Compound: An Experiment for an Advanced Inorganic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Marchetti, Fabio; Di Nicola, Corrado; Pettinari, Riccardo; Timokhin, Ivan; Pettinari, Claudio

    2012-01-01

    A simple synthesis is proposed from inexpensive reactants of a copper(I) derivative that exhibits strong photoluminescence and, in the crystalline form, exhibits strong triboluminescence. This laboratory provides an opportunity for introducing students to the phenomenon of triboluminescence. (Contains 1 scheme and 4 figures.)

  11. Development of new methods and polyphosphazene chemistries for advanced materials applications

    NASA Astrophysics Data System (ADS)

    Hindenlang, Mark D.

    The work described within this thesis focuses on the design, synthesis, and characterization of new phosphazenes with potential in advanced materials applications. Additionally, these unique polymers required the development of novel reaction methods or the investigation of new phosphazene chemistry to achieve their synthesis. Chapter 1 lays out some of the basic principles and fundamentals of polymer chemistry. Chapter 2 investigates the use of iodinated polyphosphazenes as x-ray opaque materials. Single-substituent polymers with 4-iodophenoxy or 4-iodophenylanaline ethyl ester units as the only side groups were prepared. Although a single-substitutent polymer with 3,5-diiodotyrosine ethyl ester groups was difficult to synthesize, probably because of steric hindrance, mixed-substituent polymers that contained the non-iodinated ethyl esters of glycyine, alanine, or phenylalanine plus a corresponding iodinated substituent, could be synthesized. Multinuclear NMR spectroscopy was used to follow the substitution of side groups onto the phosphazene back bone and judge the ratio of substituents. Chapter 3 details the initial investigation into 3,4-dihydroxy-L-phenylalanine ethyl ester and dopamine substituted polyphosphazenes that could be applied to a number of applications. L-DOPAEE was acetonide protected to prevent crosslinking reactions by the catechole functionality. Cyclic small molecule studies and macromolecular substitution reactions on the linear high polymer were conducted with the protected L-DOPA. Continuing studies into protection of the dopamine catechol have elucidated a viable method for the synthesis of amino-linked dopamine polymers. Chapter 4 describes a method for the synthesis of phosphazenes with quaternary amine complexes as potential antibacterial agents. Replacement reactions of pyridine alkoxides and chlorophosphazenes were first attempted at the small molecule level to study the reactivities of pyridine alkoxides. The formation of an

  12. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    NASA Astrophysics Data System (ADS)

    Shao, Yihan; Gan, Zhengting; Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Wormit, Michael; Kussmann, Joerg; Lange, Adrian W.; Behn, Andrew; Deng, Jia; Feng, Xintian; Ghosh, Debashree; Goldey, Matthew; Horn, Paul R.; Jacobson, Leif D.; Kaliman, Ilya; Khaliullin, Rustam Z.; Kuś, Tomasz; Landau, Arie; Liu, Jie; Proynov, Emil I.; Rhee, Young Min; Richard, Ryan M.; Rohrdanz, Mary A.; Steele, Ryan P.; Sundstrom, Eric J.; Woodcock, H. Lee, III; Zimmerman, Paul M.; Zuev, Dmitry; Albrecht, Ben; Alguire, Ethan; Austin, Brian; Beran, Gregory J. O.; Bernard, Yves A.; Berquist, Eric; Brandhorst, Kai; Bravaya, Ksenia B.; Brown, Shawn T.; Casanova, David; Chang, Chun-Min; Chen, Yunqing; Chien, Siu Hung; Closser, Kristina D.; Crittenden, Deborah L.; Diedenhofen, Michael; DiStasio, Robert A., Jr.; Do, Hainam; Dutoi, Anthony D.; Edgar, Richard G.; Fatehi, Shervin; Fusti-Molnar, Laszlo; Ghysels, An; Golubeva-Zadorozhnaya, Anna; Gomes, Joseph; Hanson-Heine, Magnus W. D.; Harbach, Philipp H. P.; Hauser, Andreas W.; Hohenstein, Edward G.; Holden, Zachary C.; Jagau, Thomas-C.; Ji, Hyunjun; Kaduk, Benjamin; Khistyaev, Kirill; Kim, Jaehoon; Kim, Jihan; King, Rollin A.; Klunzinger, Phil; Kosenkov, Dmytro; Kowalczyk, Tim; Krauter, Caroline M.; Lao, Ka Un; Laurent, Adèle D.; Lawler, Keith V.; Levchenko, Sergey V.; Lin, Ching Yeh; Liu, Fenglai; Livshits, Ester; Lochan, Rohini C.; Luenser, Arne; Manohar, Prashant; Manzer, Samuel F.; Mao, Shan-Ping; Mardirossian, Narbe; Marenich, Aleksandr V.; Maurer, Simon A.; Mayhall, Nicholas J.; Neuscamman, Eric; Oana, C. Melania; Olivares-Amaya, Roberto; O'Neill, Darragh P.; Parkhill, John A.; Perrine, Trilisa M.; Peverati, Roberto; Prociuk, Alexander; Rehn, Dirk R.; Rosta, Edina; Russ, Nicholas J.; Sharada, Shaama M.; Sharma, Sandeep; Small, David W.; Sodt, Alexander; Stein, Tamar; Stück, David; Su, Yu-Chuan; Thom, Alex J. W.; Tsuchimochi, Takashi; Vanovschi, Vitalii; Vogt, Leslie; Vydrov, Oleg; Wang, Tao; Watson, Mark A.; Wenzel, Jan; White, Alec; Williams, Christopher F.; Yang, Jun; Yeganeh, Sina; Yost, Shane R.; You, Zhi-Qiang; Zhang, Igor Ying; Zhang, Xing; Zhao, Yan; Brooks, Bernard R.; Chan, Garnet K. L.; Chipman, Daniel M.; Cramer, Christopher J.; Goddard, William A., III; Gordon, Mark S.; Hehre, Warren J.; Klamt, Andreas; Schaefer, Henry F., III; Schmidt, Michael W.; Sherrill, C. David; Truhlar, Donald G.; Warshel, Arieh; Xu, Xin; Aspuru-Guzik, Alán; Baer, Roi; Bell, Alexis T.; Besley, Nicholas A.; Chai, Jeng-Da; Dreuw, Andreas; Dunietz, Barry D.; Furlani, Thomas R.; Gwaltney, Steven R.; Hsu, Chao-Ping; Jung, Yousung; Kong, Jing; Lambrecht, Daniel S.; Liang, WanZhen; Ochsenfeld, Christian; Rassolov, Vitaly A.; Slipchenko, Lyudmila V.; Subotnik, Joseph E.; Van Voorhis, Troy; Herbert, John M.; Krylov, Anna I.; Gill, Peter M. W.; Head-Gordon, Martin

    2015-01-01

    A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Møller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

  13. The ACS Inorganic Exam and Its Influence (?) on the Inorganic Curriculum.

    ERIC Educational Resources Information Center

    Sienko, M. J.

    1980-01-01

    Summarizes results of a questionnaire asking if the ASC standarized test influences what is taught in inorganic chemistry courses. Chief controlling factors are indicated to be: (1) instructor's preference and (2) textbook content. Suggestions are given to enhance amount of inorganic chemistry in undergraduate curricula. (Author/JN)

  14. Synthesis and Small Molecule Exchange Studies of a Magnesium Bisformate Metal-Organic Framework: An Experiment in Host-Guest Chemistry for the Undergraduate Laboratory

    ERIC Educational Resources Information Center

    Rood, Jeffrey A.; Henderson, Kenneth W.

    2013-01-01

    concepts of host-guest chemistry and size exclusion in porous metal-organic frameworks (MOFs). The experiment has been successfully carried out in both introductory and advanced-level inorganic chemistry laboratories. Students synthesized the porous MOF, alpha-Mg[subscript…

  15. Bridging the Cognitive-Affective Gaps: Teaching Chemistry while Advancing Affective Objectives. The Singapore Curricular Experience

    ERIC Educational Resources Information Center

    Tan, Kok Siang; Goh, Ngoh Khang; Chia, Lian Sai

    2006-01-01

    Chemistry teachers face constraints when trying to integrate cognitive and affective objectives, and hence thoughtful lesson planning is required to achieve the goal. Chemistry teachers can educate students to be knowledgeable about chemical concepts, processes and the benefits of responsible practice by the chemical industry, while being aware,…

  16. Filling a Plastic Bag with Carbon Dioxide: A Student-Designed Guided-Inquiry Lab for Advanced Placement and College Chemistry Courses

    ERIC Educational Resources Information Center

    Lanni, Laura M.

    2014-01-01

    A guided-inquiry lab, suitable for first-year general chemistry or high school advanced placement chemistry, is presented that uses only inexpensive, store-bought materials. The reaction of sodium bicarbonate (baking soda) with aqueous acetic acid (vinegar), under the constraint of the challenge to completely fill a sealable plastic bag with the…

  17. Investigation into cyclic utilization of carbon source in an advanced sludge reduction, inorganic solids separation, phosphorus recovery, and enhanced nutrient removal (SIPER) wastewater treatment process.

    PubMed

    Yan, Peng; Ji, Fang-Ying; Wang, Jing; Chen, You-Peng; Shen, Yu; Fang, Fang; Guo, Jin-Song

    2015-01-01

    An advanced wastewater treatment process (SIPER) was developed to simultaneously reduce sludge production, prevent the accumulation of inorganic solids, recover phosphorus, and enhance nutrient removal. The ability to recover organic substance from excess sludge to enhance nutrient removal (especially nitrogen) and its performance as a C-source were evaluated in this study. The chemical oxygen demand/total nitrogen (COD/TN) and volatile fatty acids/total phosphorus (VFA/TP) ratios for the supernatant of the alkaline-treated sludge were 3.1 times and 2.7 times those of the influent, respectively. The biodegradability of the supernatant was much better than that of the influent. The system COD was increased by 91 mg/L, and nitrogen removal was improved by 19.6% (the removal rate for TN reached 80.4%) after the return of the alkaline-treated sludge as an internal C-source. The C-source recovered from the excess sludge was successfully used to enhance nitrogen removal. The internal C-source contributed 24.1% of the total C-source, and the cyclic utilization of the system C-source was achieved by recirculation of alkaline-treated sludge in the sludge reduction, inorganic solids separation, phosphorus recovery (SIPER) process.

  18. Investigation into cyclic utilization of carbon source in an advanced sludge reduction, inorganic solids separation, phosphorus recovery, and enhanced nutrient removal (SIPER) wastewater treatment process.

    PubMed

    Yan, Peng; Ji, Fang-Ying; Wang, Jing; Chen, You-Peng; Shen, Yu; Fang, Fang; Guo, Jin-Song

    2015-01-01

    An advanced wastewater treatment process (SIPER) was developed to simultaneously reduce sludge production, prevent the accumulation of inorganic solids, recover phosphorus, and enhance nutrient removal. The ability to recover organic substance from excess sludge to enhance nutrient removal (especially nitrogen) and its performance as a C-source were evaluated in this study. The chemical oxygen demand/total nitrogen (COD/TN) and volatile fatty acids/total phosphorus (VFA/TP) ratios for the supernatant of the alkaline-treated sludge were 3.1 times and 2.7 times those of the influent, respectively. The biodegradability of the supernatant was much better than that of the influent. The system COD was increased by 91 mg/L, and nitrogen removal was improved by 19.6% (the removal rate for TN reached 80.4%) after the return of the alkaline-treated sludge as an internal C-source. The C-source recovered from the excess sludge was successfully used to enhance nitrogen removal. The internal C-source contributed 24.1% of the total C-source, and the cyclic utilization of the system C-source was achieved by recirculation of alkaline-treated sludge in the sludge reduction, inorganic solids separation, phosphorus recovery (SIPER) process. PMID:26524455

  19. The Birthday of Organic Chemistry.

    ERIC Educational Resources Information Center

    Benfey, Otto Theodor; Kaufman, George B.

    1979-01-01

    Describes how the synthesis of urea, 150 years ago, was a major factor in breaking the artificial barrier that existed between organic and inorganic chemistry, and this contributed to the rapid growth of organic chemistry. (GA)

  20. Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances

    SciTech Connect

    Garrett, Bruce C.; Dixon, David A.; Camaioni, Donald M.; Chipman, Daniel M.; Johnson, Mark A.; Jonah, Charles D.; Kimmel, Greg A.; Miller, John H.; Rescigno, Tom; Rossky, Peter J.; Xantheas, Sotiris S.; Colson, Steve D.; Laufer, Allan H.; Ray, Douglas; Barbara, Paul F.; Bartels, David M.; Bowen, Kit H.; Becker, Kurt H.; Bradforth, Stephen E.; Carmichael, Ian; Coe, James V.; Corrales, L. Rene; Cowin, James P.; Dupuis, Michel; Eisenthal, Kenneth B.; Franz, James A.; Gutowski, Maciej S.; Jordon, Kenneth D.; Kay, Bruce D.; La Verne, Jay A.; Lymar, Sergei V.; Madey, Theodore E.; Mccurdy, C. W.; Meisel, Dan; Mukamel, Shaul; Nilsson, Anders R.; Orlando, Thomas M.; Petrik, Nikolay G.; Pimblott, Simon M.; Rustad, James R.; Schenter, Gregory K.; Singer, Sherwin J.; Tokmakoff, Andrei; Wang, Lai-Sheng; Wittig, Curt; Zwier, Timothy S.

    2005-01-12

    An understanding of electron-initiated processes in aqueous systems and the subsequent radical chemistry these processes induce is significant in such diverse fields as waste remediation and environmental cleanup, radiation processing, nuclear reactors, and medical diagnosis and therapy. We review the state of the art in the physical chemistry and chemical physics of electron-initiated processes in aqueous systems and raise critical research issues and fundamental questions that remain unanswered.

  1. Effect Of Inorganic, Synthetic And Naturally Occurring Chelating Agents On Fe(II) Mediated Advanced Oxidation Of Chlorophenols

    EPA Science Inventory

    This study examines the feasibility and application of Advanced Oxidation Technologies (AOTs) for the treatment of chlorophenols that are included in US EPA priority pollutant list. A novel class of sulfate/hydroxyl radical-based homogeneous AOTs (Fe(II)/PS, Fe(II)/PMS, Fe(II)/H...

  2. Heterogeneous chemistry: a mechanism missing in current models to explain secondary inorganic aerosol formation during the January 2013 haze episode in North China

    NASA Astrophysics Data System (ADS)

    Zheng, B.; Zhang, Q.; Zhang, Y.; He, K. B.; Wang, K.; Zheng, G. J.; Duan, F. K.; Ma, Y. L.; Kimoto, T.

    2014-06-01

    Severe regional haze pollution events occurred in eastern and central China in January 2013, which had adverse effects on the environment and public health. Extremely high levels of particulate matter with aerodynamic diameter of 2.5 μm or less (PM2.5) with dominant components of sulfate and nitrate are responsible for the haze pollution. Although heterogeneous chemistry is thought to play an important role in the production of sulfate and nitrate during haze episodes, few studies have comprehensively evaluated the effect of heterogeneous chemistry on haze formation in China by using the 3-D models due to of a lack of treatments for heterogeneous reactions in most climate and chemical transport models. In this work, the offline-coupled WRF-CMAQ model with newly added heterogeneous reactions is applied to East Asia to evaluate the impacts of heterogeneous chemistry and the meteorological anomaly during January 2013 on regional haze formation. The revised CMAQ with heterogeneous chemistry not only captures the magnitude and temporal variation of sulfate and nitrate, but also reproduces the enhancement of relative contribution of sulfate and nitrate to PM2.5 mass from clean days to polluted haze days. These results indicate the significant role of heterogeneous chemistry in regional haze formation and improve the understanding of the haze formation mechanisms during the January 2013 episode.

  3. Advanced modelling of the multiphase DMS chemistry with the CAPRAM DMS module 1.0

    NASA Astrophysics Data System (ADS)

    Hoffmann, Erik Hans; Tilgner, Andreas; Schrödner, Roland; Wolke, Ralf; Herrmann, Hartmut

    2016-04-01

    Oceans are the general emitter of dimethyl sulphide (DMS), the major natural sulphur source (Andreae, 1990), and cover approximately 70 % of earth's surface. The main DMS oxidation products are SO2, H2SO4 and methyl sulfonic acid (MSA). Hence, DMS is very important for formation of non-sea salt sulphate (nss SO42-) aerosols and secondary particulate matter and thus global climate. Despite many previous model studies, there are still important knowledge gaps, especially in aqueous phase DMS chemistry, of its atmospheric fate (Barnes et al., 2006). Therefore, a comprehensive multiphase DMS chemistry mechanism, the CAPRAM DMS module 1.0 (DM1.0), has been developed. The DM1.0 includes 103 gas phase reactions, 5 phase transfers and 54 aqueous phase reactions. It was coupled with the multiphase chemistry mechanism MCMv3.2/CAPRAM4.0α (Rickard et al., 2015; Bräuer et al., 2016) and the extended CAPRAM halogen module 2.1 (HM2.1, Bräuer et al., 2013) for investigation of multiphase DMS oxidation in the marine boundary layer. Then, a pristine ocean scenario was simulated using the air parcel model SPACCIM (Wolke et al., 2005) including 8 non-permanent cloud passages - 4 at noon and 4 at midnight. This allows the investigation of the influence of deliquesced particles and clouds on multiphase DMS chemistry during both daytime and nighttime conditions as well as under cloud formation and evaporation. To test the influence of various subsystems on multiphase DMS chemistry different sensitivity runs were performed. Investigations of multiphase chemistry of DMS and its important oxidation products were done using concentration-time profiles and detailed time-resolved reaction flux analyses. The model studies revealed the importance of aqueous phase chemistry for DMS and its oxidation products. Overall about 7.0% of DMS is effectively oxidised by O3 in the aqueous phase of clouds. The simulations revealed the importance of halogen and aqueous phase chemistry for DMS and its

  4. Advanced modelling of the multiphase DMS chemistry with the CAPRAM DMS module 1.0

    NASA Astrophysics Data System (ADS)

    Hoffmann, Erik Hans; Tilgner, Andreas; Schrödner, Roland; Wolke, Ralf; Herrmann, Hartmut

    2016-04-01

    Oceans are the general emitter of dimethyl sulphide (DMS), the major natural sulphur source (Andreae, 1990), and cover approximately 70 % of earth's surface. The main DMS oxidation products are SO2, H2SO4 and methyl sulfonic acid (MSA). Hence, DMS is very important for formation of non-sea salt sulphate (nss SO42-) aerosols and secondary particulate matter and thus global climate. Despite many previous model studies, there are still important knowledge gaps, especially in aqueous phase DMS chemistry, of its atmospheric fate (Barnes et al., 2006). Therefore, a comprehensive multiphase DMS chemistry mechanism, the CAPRAM DMS module 1.0 (DM1.0), has been developed. The DM1.0 includes 103 gas phase reactions, 5 phase transfers and 54 aqueous phase reactions. It was coupled with the multiphase chemistry mechanism MCMv3.2/CAPRAM4.0α (Rickard et al., 2015; Bräuer et al., 2016) and the extended CAPRAM halogen module 2.1 (HM2.1, Bräuer et al., 2013) for investigation of multiphase DMS oxidation in the marine boundary layer. Then, a pristine ocean scenario was simulated using the air parcel model SPACCIM (Wolke et al., 2005) including 8 non-permanent cloud passages - 4 at noon and 4 at midnight. This allows the investigation of the influence of deliquesced particles and clouds on multiphase DMS chemistry during both daytime and nighttime conditions as well as under cloud formation and evaporation. To test the influence of various subsystems on multiphase DMS chemistry different sensitivity runs were performed. Investigations of multiphase chemistry of DMS and its important oxidation products were done using concentration-time profiles and detailed time-resolved reaction flux analyses. The model studies revealed the importance of aqueous phase chemistry for DMS and its oxidation products. Overall about 7.0% of DMS is effectively oxidised by O3 in the aqueous phase of clouds. The simulations revealed the importance of halogen and aqueous phase chemistry for DMS and its

  5. Green Oxidation of Menthol Enantiomers and Analysis by Circular Dichroism Spectroscopy: An Advanced Organic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Geiger, H. Cristina; Donohoe, James S.

    2012-01-01

    Green chemistry addresses environmental concerns associated with chemical processes and increases awareness of possible harmful effects of chemical reagents. Efficient reactions that eliminate or reduce the use of organic solvents or toxic reagents are increasingly available. A two-week experiment is reported that entails the calcium hypochlorite…

  6. Exploring Interactive and Dynamic Simulations Using a Computer Algebra System in an Advanced Placement Chemistry Course

    ERIC Educational Resources Information Center

    Matsumoto, Paul S.

    2014-01-01

    The article describes the use of Mathematica, a computer algebra system (CAS), in a high school chemistry course. Mathematica was used to generate a graph, where a slider controls the value of parameter(s) in the equation; thus, students can visualize the effect of the parameter(s) on the behavior of the system. Also, Mathematica can show the…

  7. Green, Enzymatic Syntheses of Divanillin and Diapocynin for the Organic, Biochemistry, or Advanced General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Nishimura, Rachel T.; Giammanco, Chiara H.; Vosburg, David A.

    2010-01-01

    Environmentally benign chemistry is an increasingly important topic both in the classroom and the laboratory. In this experiment, students synthesize divanillin from vanillin or diapocynin from apocynin, using horseradish peroxidase and hydrogen peroxide in water. The dimerized products form rapidly at ambient temperature and are isolated by…

  8. Inorganic separator technology program

    NASA Technical Reports Server (NTRS)

    Smatko, J. S.; Weaver, R. D.; Kalhammer, F. R.

    1973-01-01

    Testing and failure analyses of silver zinc cells with largely inorganic separators were performed. The results showed that the wet stand and cycle life objective of the silver-zinc cell development program were essentially accomplished and led to recommendations for cell composition, design, and operation that should yield further improvement in wet and cycle life. A series of advanced inorganic materials was successfully developed and formulated into rigid and semiflexible separator samples. Suitable screening tests for evaluation of largely inorganic separators were selected and modified for application to the separator materials. The results showed that many of these formulations are potentially superior to previously used materials and permitted selection of three promising materials for further evaluation in silver-zinc cells.

  9. Heterogeneous chemistry: a mechanism missing in current models to explain secondary inorganic aerosol formation during the January 2013 haze episode in North China

    NASA Astrophysics Data System (ADS)

    Zheng, B.; Zhang, Q.; Zhang, Y.; He, K. B.; Wang, K.; Zheng, G. J.; Duan, F. K.; Ma, Y. L.; Kimoto, T.

    2015-02-01

    Severe regional haze pollution events occurred in eastern and central China in January 2013, which had adverse effects on the environment and public health. Extremely high levels of particulate matter with aerodynamic diameter of 2.5 μm or less (PM2.5) with dominant components of sulfate and nitrate are responsible for the haze pollution. Although heterogeneous chemistry is thought to play an important role in the production of sulfate and nitrate during haze episodes, few studies have comprehensively evaluated the effect of heterogeneous chemistry on haze formation in China by using the 3-D models due to of a lack of treatments for heterogeneous reactions in most climate and chemical transport models. In this work, the WRF-CMAQ model with newly added heterogeneous reactions is applied to East Asia to evaluate the impacts of heterogeneous chemistry and the meteorological anomaly during January 2013 on regional haze formation. As the parameterization of heterogeneous reactions on different types of particles is not well established yet, we arbitrarily selected the uptake coefficients from reactions on dust particles and then conducted several sensitivity runs to find the value that can best match observations. The revised CMAQ with heterogeneous chemistry not only captures the magnitude and temporal variation of sulfate and nitrate, but also reproduces the enhancement of relative contribution of sulfate and nitrate to PM2.5 mass from clean days to polluted haze days. These results indicate the significant role of heterogeneous chemistry in regional haze formation and improve the understanding of the haze formation mechanisms during the January 2013 episode.

  10. Infrared Spectrometry of Inorganic Salts

    ERIC Educational Resources Information Center

    Ackermann, Martin N.

    1970-01-01

    Describes a general chemistry experiment which uses infrared spectroscopy to analyze inorganic ions and thereby serves to introduce an important instrumental method of analysis. Presents a table of eight anions and the ammonium ion with the frequencies of their normal modes, as well as the spectra of three sulfate salts. (RR)

  11. Radiation Chemistry

    NASA Astrophysics Data System (ADS)

    Wojnárovits, L.

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

  12. Principles of Inorganic Materials Design

    NASA Astrophysics Data System (ADS)

    Lalena, John N.; Cleary, David

    2005-04-01

    A unique interdisciplinary approach to inorganic materials design Textbooks intended for the training of chemists in the inorganic materials field often omit many relevant topics. With its interdisciplinary approach, this book fills that gap by presenting concepts from chemistry, physics, materials science, metallurgy, and ceramics in a unified treatment targeted towards the chemistry audience. Semiconductors, metal alloys and intermetallics, as well as ceramic substances are covered. Accordingly, the book should also be useful to students and working professionals in a variety of other disciplines. This book discusses a number of topics that are pertinent to the design of new inorganic materials but are typically not covered in standard solid-state chemistry books. The authors start with an introduction to structure at the mesoscopic level and progress to smaller-length scales. Next, detailed consideration is given to both phenomenological and atomistic-level descriptions of transport properties, the metal-nonmetal transition, magnetic and dielectric properties, optical properties, and mechanical properties. Finally, the authors present introductions to phase equilibria, synthesis, and nanomaterials. Other features include: Worked examples demonstrating concepts unfamiliar to the chemist Extensive references to related literature, leading readers to more in-depth coverage of particular topics Biographies introducing the reader to great contributors to the field of inorganic materials science in the twentieth century With their interdisciplinary approach, the authors have set the groundwork for communication and understanding among professionals in varied disciplines who are involved with inorganic materials engineering. Armed with this publication, students and researchers in inorganic and physical chemistry, physics, materials science, and engineering will be better equipped to face today's complex design challenges. This textbook is appropriate for senior

  13. Supramolecular Chemistry and Mechanochemistry of Macromolecules: Recent Advances by Single-Molecule Force Spectroscopy.

    PubMed

    Cheng, Bo; Cui, Shuxun

    2015-01-01

    Atomic force spectroscopy (AFM)-based single-molecule force spectroscopy (SMFS) was invented in the 1990s. Since then, SMFS has been developed into a powerful tool to study the inter- and intra-molecular interactions of macromolecules. Using SMFS, a number of problems in the field of supramolecular chemistry and mechanochemistry have been studied at the single-molecule level, which are not accessible by traditional ensemble characterization methods. In this review, the principles of SMFS are introduced, followed by the discussion of several problems of contemporary interest at the interface of supramolecular chemistry and mechanochemistry of macromolecules, including single-chain elasticity of macromolecules, interactions between water and macromolecules, interactions between macromolecules and solid surface, and the interactions in supramolecular polymers.

  14. Supramolecular Chemistry and Mechanochemistry of Macromolecules: Recent Advances by Single-Molecule Force Spectroscopy.

    PubMed

    Cheng, Bo; Cui, Shuxun

    2015-01-01

    Atomic force spectroscopy (AFM)-based single-molecule force spectroscopy (SMFS) was invented in the 1990s. Since then, SMFS has been developed into a powerful tool to study the inter- and intra-molecular interactions of macromolecules. Using SMFS, a number of problems in the field of supramolecular chemistry and mechanochemistry have been studied at the single-molecule level, which are not accessible by traditional ensemble characterization methods. In this review, the principles of SMFS are introduced, followed by the discussion of several problems of contemporary interest at the interface of supramolecular chemistry and mechanochemistry of macromolecules, including single-chain elasticity of macromolecules, interactions between water and macromolecules, interactions between macromolecules and solid surface, and the interactions in supramolecular polymers. PMID:25860255

  15. Recent advances in crosslinking chemistry of biomimetic poly(ethylene glycol) hydrogels

    PubMed Central

    Lin, Chien-Chi

    2015-01-01

    The design and application of biomimetic hydrogels have become an important and integral part of modern tissue engineering and regenerative medicine. Many of these hydrogels are prepared from synthetic macromers (e.g., poly(ethylene glycol) or PEG) as they provide high degrees of tunability for matrix crosslinking, degradation, and modification. For a hydrogel to be considered biomimetic, it has to recapitulate key features that are found in the native extracellular matrix, such as the appropriate matrix mechanics and permeability, the ability to sequester and deliver drugs, proteins, and or nucleic acids, as well as the ability to provide receptor-mediated cell-matrix interactions and protease-mediated matrix cleavage. A variety of chemistries have been employed to impart these biomimetic features into hydrogel crosslinking. These chemistries, such as radical-mediated polymerizations, enzyme-mediated crosslinking, bio-orthogonal click reactions, and supramolecular assembly, may be different in their crosslinking mechanisms but are required to be efficient for gel crosslinking and ligand bioconjugation under aqueous reaction conditions. The prepared biomimetic hydrogels should display a diverse array of functionalities and should also be cytocompatible for in vitro cell culture and/or in situ cell encapsulation. The focus of this article is to review recent progress in the crosslinking chemistries of biomimetic hydrogels with a special emphasis on hydrogels crosslinked from poly(ethylene glycol)-based macromers. PMID:26029357

  16. Advancing Dose-Response Assessment Methods for Environmental Regulatory Impact Analysis: A Bayesian Belief Network Approach Applied to Inorganic Arsenic

    PubMed Central

    Zabinski, Joseph W.; Garcia-Vargas, Gonzalo; Rubio-Andrade, Marisela; Fry, Rebecca C.; Gibson, Jacqueline MacDonald

    2016-01-01

    Dose-response functions used in regulatory risk assessment are based on studies of whole organisms and fail to incorporate genetic and metabolomic data. Bayesian belief networks (BBNs) could provide a powerful framework for incorporating such data, but no prior research has examined this possibility. To address this gap, we develop a BBN-based model predicting birthweight at gestational age from arsenic exposure via drinking water and maternal metabolic indicators using a cohort of 200 pregnant women from an arsenic-endemic region of Mexico. We compare BBN predictions to those of prevailing slope-factor and reference-dose approaches. The BBN outperforms prevailing approaches in balancing false-positive and false-negative rates. Whereas the slope-factor approach had 2% sensitivity and 99% specificity and the reference-dose approach had 100% sensitivity and 0% specificity, the BBN's sensitivity and specificity were 71% and 30%, respectively. BBNs offer a promising opportunity to advance health risk assessment by incorporating modern genetic and metabolomic data.

  17. Arsenic, inorganic

    Integrated Risk Information System (IRIS)

    Arsenic , inorganic ; CASRN 7440 - 38 - 2 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinoge

  18. Enhanced nitrogen and phosphorus removal by an advanced simultaneous sludge reduction, inorganic solids separation, phosphorus recovery, and enhanced nutrient removal wastewater treatment process.

    PubMed

    Yan, Peng; Guo, Jin-Song; Wang, Jing; Chen, You-Peng; Ji, Fang-Ying; Dong, Yang; Zhang, Hong; Ouyang, Wen-juan

    2015-05-01

    An advanced wastewater treatment process (SIPER) was developed to simultaneously decrease sludge production, prevent the accumulation of inorganic solids, recover phosphorus, and enhance nutrient removal. The feasibility of simultaneous enhanced nutrient removal along with sludge reduction as well as the potential for enhanced nutrient removal via this process were further evaluated. The results showed that the denitrification potential of the supernatant of alkaline-treated sludge was higher than that of the influent. The system COD and VFA were increased by 23.0% and 68.2%, respectively, after the return of alkaline-treated sludge as an internal C-source, and the internal C-source contributed 24.1% of the total C-source. A total of 74.5% of phosphorus from wastewater was recovered as a usable chemical crystalline product. The nitrogen and phosphorus removal were improved by 19.6% and 23.6%, respectively, after incorporation of the side-stream system. Sludge minimization and excellent nutrient removal were successfully coupled in the SIPER process.

  19. Highlights on the recent advances in gold chemistry--a photophysical perspective.

    PubMed

    Yam, Vivian Wing-Wah; Cheng, Eddie Chung-Chin

    2008-09-01

    The presence of inter- and/or intra-molecular aurophilic interactions among the closed-shell gold(I) centres in various systems has been studied from various aspects, including synthetic, spectroscopic and theoretical approaches. The employment of different ligands can impose a significant influence on these factors and give rise to new complexes with interesting structural and photophysical properties. In this tutorial review, a number of recent examples are selected to illustrate the fascinating properties and chemistry, as well as versatility of gold(I) in these aspects and their potential applications to newcomers in this field. An emerging class of luminescent gold(III) complexes is also described.

  20. Inorganic chemistry calculations using HETV—a vectorized solver for the SO 42--NO 3--NH 4+ system based on the ISORROPIA algorithms

    NASA Astrophysics Data System (ADS)

    Makar, P. A.; Bouchet, V. S.; Nenes, A.

    The reactions and corresponding system of equations for the inorganic SO 42--NO 3--NH 4+ system have been studied with a new heterogeneous partitioning code, HETV. The code is based on the algorithms of ISORROPIA (Nenes et al., Aquat. Geochem. 4 (1998) 123; Atmos. Environ. 33 (1999) 1553), but was constructed for maximum computational efficiency on a vector supercomputer using the "vectorization by gridpoint" technique (Jacobson and Turco, Atmos. Environ. 28 (1994) 273). The new code was tested on two common computer architectures (vector supercomputers and UNIX workstations). The new code requires 1/38-1/89 of the processing time of the original ISORROPIA code on the vector supercomputer and produces equivalent results. A rigorous testing procedure was employed to compare the results of the two codes for conditions encompassing the typical range of SO 42-, NO 3- and NH 4+ concentrations found in the ambient atmosphere. The procedure was instrumental in the creation of several improvements to the numerical methods for the solution of the system of equations. Both the improvements and the testing procedure are described in detail, and are recommended for future code development of this nature.

  1. Hydrothermal Synthesis and Characterization of a Metal-Organic Framework by Thermogravimetric Analysis, Powder X-Ray Diffraction, and Infrared Spectroscopy: An Integrative Inorganic Chemistry Experiment

    ERIC Educational Resources Information Center

    Crane, Johanna L.; Anderson, Kelly E.; Conway, Samantha G.

    2015-01-01

    This advanced undergraduate laboratory experiment involves the synthesis and characterization of a metal-organic framework with microporous channels that are held intact via hydrogen bonding of the coordinated water molecules. The hydrothermal synthesis of Co[subscript 3](BTC)[subscript 2]·12H[subscript 2]O (BTC = 1,3,5-benzene tricarboxylic acid)…

  2. Natural radioactivity in, and inorganic chemistry of, ground water in the Kirkwood-Cohansey aquifer system, southern New Jersey, 1983-89

    USGS Publications Warehouse

    Kozinski, Jane; Szabo, Zoltan; Zapecza, O.S.; Barringer, T.H.

    1995-01-01

    The distribution of naturally occurring radionuclides in ground water of the Kirkwood- Cohansey aquifer system in southern New Jersey was assessed during 1988-89. The Kirkwood-Cohansey aquifer system consists of quartz-sand formations overlain by a feldspar-rich quartz-sand formation, the Bridgeton Formation, that is heavily developed agriculturally. The sum of the concentrations of radium-226 and radium-228 exceeded the U.S. Environmental Protection Agency maximum contaminant level (MCL) of 5 pCi/L (picocuries per liter) in 26 of 81 wells from which water samples were analyzed, and gross alpha-particle activity exceeded the MCL of 15 pCi/L in 5 of the 81 samples. The median concentrations of radon-222 and uranium were 280 pCi/L and 0.03 micrograms per liter, respectively. Water in the Kirkwood-Cohansey aquifer system generally is dilute (median dissolved solids concentration, 55 milligrams per liter) and acidic (median pH, 4.90), but concentrations of major ions and acidity are higher in water from wells in areas where the Bridgeton Formation outcrop and agricultural land use are present than in areas where they are absent. Concentrations and activities of radionuclides also were greatest in these areas. Results of statistical analyses indicate that these relations are significant and nonrandom. The positive relation of radionuclide concentration or activity to the presence of geologic outcrop and agricultural land, and a similar relation of the concentration of inorganic constituents to the presence of geologic outcrop and agricultural land, indicate that geochemical processes enhance mobilization of radionuclides in these areas relative to areas where the Bridgeton Formation and agricultural land are absent. The sum of the ocncentrations of radium-226 and radium-228 most likely exceeds the MCL in ground-water samples with nitrate concentrations greater than 5 milligrams per liter.

  3. Supramolecular chemistry of halogens: complementary features of inorganic (M-X) and organic (C-X') halogens applied to M-X...X'-C halogen bond formation.

    PubMed

    Zordan, Fiorenzo; Brammer, Lee; Sherwood, Paul

    2005-04-27

    Electronic differences between inorganic (M-X) and organic (C-X) halogens in conjunction with the anisotropic charge distribution associated with terminal halogens have been exploited in supramolecular synthesis based upon intermolecular M-X...X'-C halogen bonds. The synthesis and crystal structures of a family of compounds trans-[MCl(2)(NC(5)H(4)X-3)(2)] (M = Pd(II), Pt(II); X = F, Cl, Br, I; NC(5)H(4)X-3 = 3-halopyridine) are reported. With the exception of the fluoropyridine compounds, network structures propagated by M-Cl...X-C halogen bonds are adopted and involve all M-Cl and all C-X groups. M-Cl...X-C interactions show Cl...X separations shorter than van der Waals values, shorter distances being observed for heavier halogens (X). Geometries with near linear Cl...X-C angles (155-172 degrees ) and markedly bent M-Cl...X angles (92-137 degrees ) are consistently observed. DFT calculations on the model dimers {trans-[MCl(2)(NH(3))(NC(5)H(4)X-3)]}(2) show association through M-Cl...X-C (X not equal F) interactions with geometries similar to experimental values. DFT calculations of the electrostatic potential distributions for the compounds trans-[PdCl(2)(NC(5)H(4)X-3)(2)] (X = F, Cl, Br, I) demonstrate the effectiveness of the strategy to activate C-X groups toward halogen bond formation by enhancing their electrophilicity, and explain the absence of M-Cl...F-C interactions. The M-Cl...X-C halogen bonds described here can be viewed unambiguously as nucleophile-electrophile interactions that involve an attractive electrostatic contribution. This contrasts with some types of halogen-halogen interactions previously described and suggests that M-Cl...X-C halogen bonds could provide a valuable new synthon for supramolecular chemists.

  4. Inorganic chemistry, gas compositions and dissolved organic carbon in fluids from sedimented young basaltic crust on the Juan de Fuca Ridge flanks

    NASA Astrophysics Data System (ADS)

    Lin, Huei-Ting; Cowen, James P.; Olson, Eric J.; Amend, Jan P.; Lilley, Marvin D.

    2012-05-01

    The permeable upper oceanic basement serves as a plausible habitat for a variety of microbial communities. There is growing evidence suggesting a substantial subseafloor biosphere. Here new time series data are presented on key inorganic species, methane, hydrogen and dissolved organic carbon (DOC) in ridge flank fluids obtained from subseafloor observatory CORKs (Circulation Obviation Retrofit Kits) at Integrated Ocean Drilling Program (IODP) boreholes 1301A and 1026B. These data show that the new sampling methods (Cowen et al., 2012) employed at 1301A result in lower contamination than earlier studies. Furthermore, sample collection methods permitted most chemical analyses to be performed from aliquots of single large volume samples, thereby allowing more direct comparison of the data. The low phosphate concentrations (0.06-0.2 μM) suggest that relative to carbon and nitrogen, phosphorus could be a limiting nutrient in the basement biosphere. Coexisting sulfate (17-18 mM), hydrogen sulfide (˜0.1 μM), hydrogen (0.3-0.7 μM) and methane (1.5-2 μM) indicates that the basement aquifer at 1301A either draws fluids from multiple flow paths with different redox histories or is a complex environment that is not thermodynamically controlled and may allow co-occurring metabolic pathways including sulfate reduction and methanogenesis. The low DOC concentrations (11-18 μM) confirm that ridge flank basement is a net DOC sink and ultimately a net carbon sink. Based on the net amounts of DOC, oxygen, nitrate and sulfate removed (˜30 μM, ˜80 μM, ˜40 μM and ˜10 mM, respectively) from entrained bottom seawater, organic carbon may be aerobically or anaerobically oxidized in biotic and/or abiotic processes.

  5. Integrating Organic Matter Structure with Ecosystem Function using Advanced Analytical Chemistry Techniques

    NASA Astrophysics Data System (ADS)

    Boot, C. M.

    2012-12-01

    Microorganisms are the primary transformers of organic matter in terrestrial and aquatic ecosystems. The structure of organic matter controls its bioavailability and researchers have long sought to link the chemical characteristics of the organic matter pool to its lability. To date this effort has been primarily attempted using low resolution descriptive characteristics (e.g. organic matter content, carbon to nitrogen ratio, aromaticity, etc .). However, recent progress in linking these two important ecosystem components has been advanced using advanced high resolution tools (e.g. nuclear magnetic resonance (NMR) spectroscopy, and mass spectroscopy (MS)-based techniques). A series of experiments will be presented that highlight the application of high resolution techniques in a variety of terrestrial and aquatic ecosystems with the focus on how these data explicitly provide the foundation for integrating organic matter structure into our concept of ecosystem function. The talk will highlight results from a series of experiments including: an MS-based metabolomics and fluorescence excitation emission matrix approach evaluating seasonal and vegetation based changes in dissolved organic matter (DOM) composition from arctic soils; Fourier transform ion cyclotron resonance (FTICR) MS and MS metabolomics analysis of DOM from three lakes in an alpine watershed; and the transformation of 13C labeled glucose track with NMR during a rewetting experiment from Colorado grassland soils. These data will be synthesized to illustrate how the application of advanced analytical techniques provides novel insight into our understanding of organic matter processing in a wide range of ecosystems.

  6. An overview of silica in biology: its chemistry and recent technological advances.

    PubMed

    Perry, Carole C

    2009-01-01

    Biomineralisation is widespread in the biological world and occurs in bacteria, single-celled protists, plants, invertebrates and vertebrates. Minerals formed in the biological environment often show unusual physical properties (e.g. strength, degree of hydration) and often have structures that exhibit order on many length scales. Biosilica, found in single cell organisms through to higher plants and primitive animals (sponges), is formed from an environment that is undersaturated with respect to silicon and under conditions of around neutral pH and low temperature, ca. 4-40 degrees C. Formation of the mineral may occur intra- or extra-cellularly, and specific biochemical locations for mineral deposition that include lipids, proteins and carbohydrates are known. In most cases, the formation of the mineral phase is linked to cellular processes, understanding of which could lead to the design of new materials for biomedical, optical and other applications. This Chapter briefly describes the occurrence of silica in biology including known roles for the mineral phase, the chemistry of the material, the associated biomolecules and some recent applications of this knowledge in materials chemistry.The terminology which is used in this and other contributions within this volume is as follows: Si: the chemical symbol for the element and the generic term used when the nature of the specific silicon compound is not known. Si(OH) ( 4 ): orthosilicic acid, the fundamental building block used in the formation of silicas. SiO ( 2 ) x nH ( 2 ) O or SiO ( 2-x ) (OH) ( 2x ) x 2H ( 2 ) O: amorphous, hydrated, polymerised material. Oligomerisation: the formation of dimers and small oligomers from orthosilicic acid by removal of water. For example, 2Si(OH)(4) <--> (HO)(3)Si-O-Si(OH)(3) + H(2)O Polymerisation: the mutual condensation of silicic acid to give molecularly coherent units of increasing size. Organosilicon compound: must contain silicon covalently bonded to carbon within a

  7. Free Radical Addition Polymerization Kinetics without Steady-State Approximations: A Numerical Analysis for the Polymer, Physical, or Advanced Organic Chemistry Course

    ERIC Educational Resources Information Center

    Iler, H. Darrell; Brown, Amber; Landis, Amanda; Schimke, Greg; Peters, George

    2014-01-01

    A numerical analysis of the free radical addition polymerization system is described that provides those teaching polymer, physical, or advanced organic chemistry courses the opportunity to introduce students to numerical methods in the context of a simple but mathematically stiff chemical kinetic system. Numerical analysis can lead students to an…

  8. [Final goal and problems in clinical chemistry examination measured by advanced analytical instruments].

    PubMed

    Sasaki, M; Hashimoto, E

    1993-07-01

    In the field of clinical chemistry of Japan, the automation of analytical instruments first appeared in the 1960's with the rapid developments in electronics industry. After a series of improvements and modifications in the past thirty years, these analytical instruments became excellent with multifunctions. From the results of these developments, it is now well recognized that automated analytical instruments are indispensable to manage the modern clinical Laboratory. On the other hand, these automated analytical instruments uncovered the various problems which had been hitherto undetected when the manually-operated instruments were used. For instances, the variation of commercially available standard solutions due to the lack of government control causes the different values obtained in institutions. In addition, there are many problems such as a shortage of medical technologists, a complication to handle the sampling and an increased labor costs. Furthermore, the inadequacies in maintenance activities cause the frequent erroneous reports of laboratory findings in spite of the latest and efficient analytical instruments equipped. Thus, the working process in clinical laboratory must be systematized to create the rapidity and the effectiveness. In the present report, we review the developmental history of automation system for analytical instruments, discuss the problems to create the effective clinical laboratory and explore the ways to deal with these emerging issues for the automation technology in clinical laboratory.

  9. Expanding Mg-Zn hybrid chemistry: inorganic salt effects in addition reactions of organozinc reagents to trifluoroacetophenone and the implications for a synergistic lithium-magnesium-zinc activation.

    PubMed

    Armstrong, David R; Clegg, William; García-Álvarez, Pablo; Kennedy, Alan R; McCall, Matthew D; Russo, Luca; Hevia, Eva

    2011-07-18

    Numerous organic transformations rely on organozinc compounds made through salt-metathesis (exchange) reactions from organolithium or Grignard reagents with a suitable zinc precursor. By combining X-ray crystallography, NMR spectroscopy and DFT calculations, this study sheds new light on the constitution of the organometallic species involved in this important synthetic tool. Investigations into the metathesis reactions of equimolar amounts of Grignard reagents (RMgX) and ZnCl(2) in THF led to the isolation of novel magnesium-zinc hybrids, [{(thf)(2)Mg(μ-Cl)(3)ZnR}(2)] (R=Et, tBu, nBu or o-OMe-C(6)H(4)), which exhibit an unprecedented structural motif in mixed magnesium-zinc chemistry. Furthermore, theoretical modelling of the reaction of EtMgCl with ZnCl(2) reveals that formation of the mixed-metal compound is thermodynamically preferred to that of the expected homometallic products, RZnCl and MgCl(2). This study also assesses the alkylating ability of hybrid 3 towards the sensitive ketone trifluoroacetophenone, revealing a dramatic increase in the chemoselectivity of the reaction when LiCl is introduced as an additive. This observation, combined with recent related breakthroughs in synthesis, points towards the existence of a trilateral Li/Mg/Zn synergistic effect. PMID:21656589

  10. Advancing the Chemistry of CuWO4 for Photoelectrochemical Water Oxidation.

    PubMed

    Lhermitte, Charles R; Bartlett, Bart M

    2016-06-21

    Photoelectrochemical (PEC) cells are an ongoing area of exploration that provide a means of converting solar energy into a storable chemical form (molecular bonds). In particular, using PEC cells to drive the water splitting reaction to obtain H2 could provide a clean and sustainable route to convert solar energy into chemical fuels. Since the discovery of catalytic water splitting on TiO2 photoelectrodes by Fujishima and Honda, significant efforts have been directed toward developing high efficiency metal oxides to use as photocatalysts for this reaction. Improving the efficiency of PEC cells requires developing chemically stable, and highly catalytic anodes for the oxygen-evolution reaction (OER). This water oxidation half reaction requires four protons and four electrons coupling in two bond making steps to form O2, which limits the rate. Our group has accelerated efforts in CuWO4 as a candidate for PEC OER chemistry. Its small band gap of 2.3 eV allows for using visible light to drive OER, and the reaction proceeds with a high degree of chemoselectivity, even in the presence of more kinetically accessible anions such as chloride, which is common to seawater. Furthermore, CuWO4 is a chemically robust material when subjected to the highly oxidizing conditions of PEC OER. The next steps for accelerating research using this (and other), ternary phase oxides, is to move beyond reporting the basic PEC measurements to understanding fundamental chemical reaction mechanisms operative during OER on semiconductor surfaces. In this Account, we outline the process for PEC OER on CuWO4 thin films with emphasis on the chemistry of this reaction, the reaction rate and selectivity (determined by controlled-potential coulometry and oxygen-detection experiments). We discuss key challenges with CuWO4 such as slow kinetics and the presence of an OER-mediating mid-gap state, probed by electrochemical impedance spectroscopy. We propose that this mid-gap state imparts the observed

  11. Advancing the Chemistry of CuWO4 for Photoelectrochemical Water Oxidation.

    PubMed

    Lhermitte, Charles R; Bartlett, Bart M

    2016-06-21

    Photoelectrochemical (PEC) cells are an ongoing area of exploration that provide a means of converting solar energy into a storable chemical form (molecular bonds). In particular, using PEC cells to drive the water splitting reaction to obtain H2 could provide a clean and sustainable route to convert solar energy into chemical fuels. Since the discovery of catalytic water splitting on TiO2 photoelectrodes by Fujishima and Honda, significant efforts have been directed toward developing high efficiency metal oxides to use as photocatalysts for this reaction. Improving the efficiency of PEC cells requires developing chemically stable, and highly catalytic anodes for the oxygen-evolution reaction (OER). This water oxidation half reaction requires four protons and four electrons coupling in two bond making steps to form O2, which limits the rate. Our group has accelerated efforts in CuWO4 as a candidate for PEC OER chemistry. Its small band gap of 2.3 eV allows for using visible light to drive OER, and the reaction proceeds with a high degree of chemoselectivity, even in the presence of more kinetically accessible anions such as chloride, which is common to seawater. Furthermore, CuWO4 is a chemically robust material when subjected to the highly oxidizing conditions of PEC OER. The next steps for accelerating research using this (and other), ternary phase oxides, is to move beyond reporting the basic PEC measurements to understanding fundamental chemical reaction mechanisms operative during OER on semiconductor surfaces. In this Account, we outline the process for PEC OER on CuWO4 thin films with emphasis on the chemistry of this reaction, the reaction rate and selectivity (determined by controlled-potential coulometry and oxygen-detection experiments). We discuss key challenges with CuWO4 such as slow kinetics and the presence of an OER-mediating mid-gap state, probed by electrochemical impedance spectroscopy. We propose that this mid-gap state imparts the observed

  12. Source and fate of inorganic solutes in the Gibbon River, Yellowstone National Park, Wyoming, USA. I. Low-flow discharge and major solute chemistry

    NASA Astrophysics Data System (ADS)

    McCleskey, R. Blaine; Nordstrom, D. Kirk; Susong, David D.; Ball, James W.; Holloway, JoAnn M.

    2010-06-01

    The Gibbon River in Yellowstone National Park (YNP) is an important natural resource and habitat for fisheries and wildlife. However, the Gibbon River differs from most other mountain rivers because its chemistry is affected by several geothermal sources including Norris Geyser Basin, Chocolate Pots, Gibbon Geyser Basin, Beryl Spring, and Terrace Spring. Norris Geyser Basin is one of the most dynamic geothermal areas in YNP, and the water discharging from Norris is much more acidic (pH 3) than other geothermal basins in the upper-Madison drainage (Gibbon and Firehole Rivers). Water samples and discharge data were obtained from the Gibbon River and its major tributaries near Norris Geyser Basin under the low-flow conditions of September 2006. Surface inflows from Norris Geyser Basin were sampled to identify point sources and to quantify solute loading to the Gibbon River. The source and fate of the major solutes (Ca, Mg, Na, K, SiO 2, Cl, F, HCO 3, SO 4, NO 3, and NH 4) in the Gibbon River were determined in this study and these results may provide an important link in understanding the health of the ecosystem and the behavior of many trace solutes. Norris Geyser Basin is the primary source of Na, K, Cl, SO 4, and N loads (35-58%) in the Gibbon River. The largest source of HCO 3 and F is in the lower Gibbon River reach. Most of the Ca and Mg originate in the Gibbon River upstream from Norris Geyser Basin. All the major solutes behave conservatively except for NH 4, which decreased substantially downstream from Gibbon Geyser Basin, and SiO 2, small amounts of which precipitated on mixing of thermal drainage with the river. As much as 9-14% of the river discharge at the gage is from thermal flows during this period.

  13. Stratospheric chemistry

    SciTech Connect

    Brune, W.H. )

    1991-01-01

    Advances in stratospheric chemistry made by investigators in the United States from 1987 to 1990 are reviewed. Subject areas under consideration include photochemistry of the polar stratosphere, photochemistry of the global stratosphere, and assessments of inadvertent modification of the stratosphere by anthropogenic activity. Particular attention is given to early observations and theories, gas phase chemistry, Antarctic observations, Arctic observations, odd-oxygen, odd-hydrogen, odd-nitrogen, halogens, aerosols, modeling of stratospheric ozone, and reactive nitrogen effects.

  14. Development of Advanced In-Situ Techniques for Chemistry Monitoring and Corrosion Mitigation in SCWO Environments

    SciTech Connect

    Macdonald, D. D.; Lvov, S. N.

    2000-03-31

    This project is developing sensing technologies and corrosion monitoring techniques for use in super critical water oxidation (SCWO) systems to reduce the volume of mixed low-level nuclear waste by oxidizing organic components in a closed cycle system where CO2 and other gaseous oxides are produced, leaving the radioactive elements concentrated in ash. The technique uses water at supercritical temperatures under highly oxidized conditions by maintaining a high fugacity of molecular oxygen in the system, which causes high corrosion rates of even the most corrosive resistant reactor materials. This project significantly addresses the high corrosion shortcoming through development of (a) advanced electrodes and sensors for in situ potentiometric monitoring of pH in high subcritical and supercritical aqueous solutions, (b) an approach for evaluating the association constants for 1-1 aqueous electrolytes using a flow-through electrochemical thermocell; (c) an electrochemical noise sensor for the in situ measurement of corrosion rate in subcritical and supercritical aqueous systems; (d) a model for estimating the effect of pressure on reaction rates, including corrosion reactions, in high subcritical and supercritical aqueous systems. The project achieved all objectives, except for installing some of the sensors into a fully operating SCWO system.

  15. Review of old chemistry and new catalytic advances in the on-purpose synthesis of butadiene.

    PubMed

    Makshina, Ekaterina V; Dusselier, Michiel; Janssens, Wout; Degrève, Jan; Jacobs, Pierre A; Sels, Bert F

    2014-11-21

    Increasing demand for renewable feedstock-based chemicals is driving the interest of both academic and industrial research to substitute petrochemicals with renewable chemicals from biomass-derived resources. The search towards novel platform chemicals is challenging and rewarding, but the main research activities are concentrated on finding efficient pathways to produce familiar drop-in chemicals and polymer building blocks. A diversity of industrially important monomers like alkenes, conjugated dienes, unsaturated carboxylic acids and aromatic compounds are thus targeted from renewable feedstock. In this context, on-purpose production of 1,3-butadiene from biomass-derived feedstock is an interesting example as its production is under pressure by uncertainty of the conventional fossil feedstock. Ethanol, obtained via fermentation or (biomass-generated) syngas, can be converted to butadiene, although there is no large commercial activity today. Though practised on a large scale in the beginning of the 20th century, there is a growing worldwide renewed interest in the butadiene-from-ethanol route. An alternative route to produce butadiene from biomass is through direct carbohydrate and gas fermentation or indirectly via the dehydration of butanediols. This review starts with a brief discussion on the different feedstock possibilities to produce butadiene, followed by a comprehensive summary of the current state of knowledge regarding advances and achievements in the field of the chemocatalytic conversion of ethanol and butanediols to butadiene, including thermodynamics and kinetic aspects of the reactions with discussions on the reaction pathways and the type of catalysts developed. PMID:24993100

  16. The Place of Macromolecules in Freshman Chemistry

    ERIC Educational Resources Information Center

    Wunderlich, Bernhard

    1973-01-01

    Discusses the inclusion of knowledge on macromolecules into a freshman chemistry course which emphasizes topics in organic chemistry, polymer science and biochemistry, atoms, chemical thermodynamics, and inorganic chemistry. Indicates that the program is the only way to keep chemistry education up to date. (CC)

  17. Inorganic Materials

    NASA Astrophysics Data System (ADS)

    Černý, Radovan

    The separation of compounds by inorganic/organic boundary is of less importance for the structure determination by diffraction methods. More important for the diffraction is how the atoms build up larger building units and the crystal itself. A molecular/non-molecular boundary is therefore relevant for the choice of a structure determination method. Non-molecular compounds - also called extended solids - are constructed by bonds that extend "infinitely" in three dimensions through a crystal. These non-molecular crystals usually crystallize with higher symmetries, and atoms often occupy special Wyckoff positions. A review of actual methodology is given first, and then highlights and pitfalls of structure determination from powder diffraction, its problems and their solutions are shown and discussed using selected examples.

  18. Selective inorganic thin films

    SciTech Connect

    Phillips, M.L.F.; Weisenbach, L.A.; Anderson, M.T.

    1995-05-01

    This project is developing inorganic thin films as membranes for gas separation applications, and as discriminating coatings for liquid-phase chemical sensors. Our goal is to synthesize these coatings with tailored porosity and surface chemistry on porous substrates and on acoustic and optical sensors. Molecular sieve films offer the possibility of performing separations involving hydrogen, air, and natural gas constituents at elevated temperatures with very high separation factors. We are focusing on improving permeability and molecular sieve properties of crystalline zeolitic membranes made by hydrothermally reacting layered multicomponent sol-gel films deposited on mesoporous substrates. We also used acoustic plate mode (APM) oscillator and surface plasmon resonance (SPR) sensor elements as substrates for sol-gel films, and have both used these modified sensors to determine physical properties of the films and have determined the sensitivity and selectivity of these sensors to aqueous chemical species.

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

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

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

  20. Organic Experiments for Introductory Chemistry.

    ERIC Educational Resources Information Center

    Rayner-Canham, Geoff

    1985-01-01

    Describes test-tube organic chemistry procedures (using comparatively safe reagents) for the beginning student. These procedures are used to: examine differences between saturated and unsaturated hydrocarbons; compare structural isomers; and compare organic and inorganic acids and bases. (DH)

  1. Science Update: Analytical Chemistry.

    ERIC Educational Resources Information Center

    Worthy, Ward

    1980-01-01

    Briefly discusses new instrumentation in the field of analytical chemistry. Advances in liquid chromatography, photoacoustic spectroscopy, the use of lasers, and mass spectrometry are also discussed. (CS)

  2. African American Advanced Placement chemistry students and their developing study habits: A phenomenologically-based interpretive study

    NASA Astrophysics Data System (ADS)

    Rasmussen, Natalie D.

    The academic achievement gap between African American and White students has gained much attention in recent years. Much has been written about the causes of and reasons for this problem ranging from the vestigial effects of slavery to poor parenting. Much less has been written or understood about its solution. While it is impossible for educators to change the pasts of their African American students, it is possible to effect change for the few minutes in which they are in direct contact with them each day. If African American science students are taught effective study skills and habits, then perhaps they might have the tools to close the achievement gap themselves. The participants in this phenomenologically based interpretive study were five African American Advanced Placement Chemistry students from an inner-city high school. Three in-depth interviews were conducted with each of the participants during the beginning, middle and end of a semester. The purpose of the interviews was to locate the students in terms of their thought processes, experiences and perceived barriers concerning the nature and practice of effective study and retention of chemistry content. The interviews were recorded and transcribed. The texts were then analyzed for common themes. Five common themes emerged from the interviews. These were: (1) Homework vs. Study: a distinction between homework---which students knew how to approach; and study---which they did not. (2) Student Effort: their changing perception of adequate and effective study practices while in a rigorous course. (3) Teacher Rigor: they perceived high expectations and challenging work as a sign of respect from their teachers. (4) Parental Involvement: students' admission that they desired more input from parents regarding their academic performance. (5) Racial Considerations: their need to disprove negative stereotypes and their personal observations regarding racial differences in studying. A discussion of the themes and

  3. When Is a Molecule Three Dimensional? A Task-Specific Role for Imagistic Reasoning in Advanced Chemistry

    ERIC Educational Resources Information Center

    Stieff, Mike

    2011-01-01

    Imagistic reasoning appears to be a critical strategy for learning and problem solving in the sciences, particularly chemistry; however, little is known about how students use imagistic reasoning on genuine assessment tasks in chemistry. The present study employed a think-aloud protocol to explore when and how students use imagistic reasoning for…

  4. Development and Implementation of a Series of Laboratory Field Trips for Advanced High School Students to Connect Chemistry to Sustainability

    ERIC Educational Resources Information Center

    Aubrecht, Katherine B.; Padwa, Linda; Shen, Xiaoqi; Bazargan, Gloria

    2015-01-01

    We describe the content and organization of a series of day-long field trips to a university for high school students that connect chemistry content to issues of sustainability. The seven laboratory activities are in the areas of environmental degradation, energy production, and green chemistry. The laboratory procedures have been modified from…

  5. Hybrid polymer-inorganic nanocomposites

    NASA Astrophysics Data System (ADS)

    Pomogailo, Anatolii D.

    2000-01-01

    Approaches to the preparation of organic-inorganic nanocomposites are considered from a unified viewpoint for the first time. The major problems in the development of this new line of research in materials technology, which has arisen on the border of the science of polymers, colloid chemistry and physical chemistry of the ultradisperse state, are discussed. The main methods for the formation of composite materials and polymer-inorganic cross-linked hybrids with interpenetrating networks are analysed. Primary attention is given to sol-gel procedures for their preparation, including template processes, which occur under conditions of strict stereochemical orientation of reactants, intercalation of monomers and polymers into porous and layered matrices and their intracrystalline and post-intercalation transformations. Methods for the synthesis and properties of metallopolymeric polymolecular Langmuir-Blodgett films, which are peculiar supramolecular ensembles incorporating nanosized metal-containing particles, are discussed. The generality of the processes of formation of organic-inorganic nanocomposites in living and nonliving natural objects is demonstrated and the major fields of application of nanocomposites are considered. The bibliography includes 566 references.

  6. EPA Green Chemistry Advances

    EPA Science Inventory

    As an invited speaker, Dr. Leazer will deliver a plenary lecture and participate in a panel discussion at the 2013 AIChE National Meeting in San Francisco, CA. AIChE has embraced sustainability and is looking for guidance and leadership in building their sustainability program. ...

  7. Copper Dioxygen (Bio)Inorganic Chemistry

    PubMed Central

    Ginsbach, Jake W.; Heppner, David E.; Kieber-Emmons, Matthew T.; Kjaergaard, Christian H.; Smeets, Pieter J.; Tian, Li; Woertink, Julia S.

    2010-01-01

    Cu/O2 intermediates in biological, homogeneous, and heterogeneous catalysts exhibit unique spectral features that reflect novel geometric and electronic structures that make significant contributions to reactivity. This review considers how the respective intermediate electronic structures overcome the spin forbidden nature of O2 binding, activate O2 for electrophillic aromatic attack and H-atom abstraction, catalyze the 4 e- reduction of O2 to H2O, and discusses the role of exchange coupling between Cu ions in determining reactivity. PMID:21322475

  8. A Multiweek Upper-Division Inorganic Laboratory Based on Metallacrowns

    ERIC Educational Resources Information Center

    Sirovetz, Brian J.; Walters, Nicole E.; Bender, Collin N.; Lenivy, Christopher M.; Troup, Anna S.; Predecki, Daniel P.; Richardson, John N.; Zaleski, Curtis M.

    2013-01-01

    Metallacrowns are a versatile class of inorganic compounds with uses in several areas of chemistry. Students engage in a multiweek, upper-division inorganic laboratory that explores four different metallacrown compounds: Fe[superscript III](O[subscript 2]CCH[subscript 3])[subscript 3][9-MC[subscript Fe][superscript III][subscript…

  9. A Summary of the Manufacture of Important Inorganic Chemicals.

    ERIC Educational Resources Information Center

    Chenier, Philip J.

    1983-01-01

    Manufacture, properties, uses, and economic aspects of inorganic chemicals are discussed in an industrial chemistry course. Provided and discussed is a flowchart used in the course. The flowchart is a logical method of presenting the important features of inorganic chemicals and a summarizing their method of manufacture. (JN)

  10. Inorganic Analyses in Water Quality Control Programs. Training Manual.

    ERIC Educational Resources Information Center

    Office of Water Program Operations (EPA), Cincinnati, OH. National Training and Operational Technology Center.

    This document is a lecture/laboratory manual dealing with the analysis of selected inorganic pollutants. The manual is an instructional aid for classroom presentations to those with little or no experience in the field, but having one year (or equivalent) of college level inorganic chemistry and having basic laboratory skills. Topics include:…

  11. Inorganic Analyses in Water Quality Control Programs. Training Manual.

    ERIC Educational Resources Information Center

    Kroner, Audrey; And Others

    This lecture/laboratory manual for a five-day course deals with the analysis of selected inorganic pollutants. The manual is an instructional aid for classroom presentations to those with little or no experience in the field, but having one year (or equivalent) of college level inorganic chemistry, one semester of college level quantitative…

  12. Synthesis of a Partially Protected Azidodeoxy Sugar. A Project Suitable for the Advanced Undergraduate Organic Chemistry Laboratory

    NASA Astrophysics Data System (ADS)

    Norris, Peter; Freeze, Scott; Gabriel, Christopher J.

    2001-01-01

    The synthetic chemistry of carbohydrates provides a wealth of possible experiments for the undergraduate organic chemistry laboratory. However, few appropriate examples have been developed to date. With this simple two-step synthesis of a partially protected azidodeoxy sugar, we demonstrate several important concepts introduced in undergraduate chemistry (alcohol activation, steric hindrance, nucleophilic substitution) while offering products that are readily amenable to analysis by high field NMR. Students are exposed to techniques such as monitoring reactions by TLC, workup of reaction mixtures, and isolation by flash chromatography. Suitable methods for analysis of products include NMR, IR, MS, and polarimetry.

  13. Synthesis and Characterization of a Perovskite Barium Zirconate (BaZrO[subscript 3]): An Experiment for an Advanced Inorganic Chemistry Laboratory

    ERIC Educational Resources Information Center

    Thananatthanachon, Todsapon

    2016-01-01

    In this experiment, the students explore the synthesis of a crystalline solid-state material, barium zirconate (BaZrO3) by two different synthetic methods: (a) the wet chemical method using BaCl[subscript 2]·2H[subscript 2]O and ZrOCl[subscript 2]·8H[subscript 2]O as the precursors, and (b) the solid-state reaction from BaCO[subscript 3] and…

  14. Toxicological review of inorganic phosphates.

    PubMed

    Weiner, M L; Salminen, W F; Larson, P R; Barter, R A; Kranetz, J L; Simon, G S

    2001-08-01

    Inorganic phosphate salts are widely used as food ingredients and in a variety of commercial applications. The United States Food and Drug Administration (FDA) considers inorganic phosphates "Generally Recognized As Safe" (GRAS) (FDA, 1973a, 1979) [FDA: Food and Drug Administration 1973a. GRAS (Generally Recognized as Safe) food ingredients-phosphates. NTIS PB-221-224, FDA, Food and Drug Administration, 1979. Phosphates; Proposed Affirmation of and Deletion From GRAS Status as Direct and Human Food Ingredients. Federal Register 44 (244). 74845-74857, 18 December (1979)] and the European Union (EU) allows inorganic phosphates to be added directly to food (EU Directive 95/2/EC as amended by 98/72/EC). In this review, data on the acute, subchronic and chronic toxicity, genotoxicity, teratogenicity and reproductive toxicity from the published literature and from unpublished studies by the manufacturers are reviewed. Based on the toxicity data and similar chemistry, the inorganic phosphates can be separated into four major classes, consisting of monovalent salts, divalent salts, ammonium salts and aluminum salts. The proposed classification scheme supports the use of toxicity data from one compound to assess the toxicity of another compound in the same class. However, in the case of eye and skin irritation, the proposed classification scheme cannot be used because a wide range of responses exists within each class. Therefore, the eye and skin hazards associated with an individual inorganic phosphate should be assessed on a chemical-by-chemical basis. A large amount of toxicity data exists for all four classes of inorganic phosphates. The large and comprehensive database allows an accurate assessment of the toxicity of each class of inorganic phosphate. Overall, all four classes of inorganic phosphates exhibit low oral, inhalation and dermal toxicities. Based on these data, humans are unlikely to experience adverse effects when the daily phosphorus consumption remains

  15. Synthesis and Self-Assembly of the "Tennis Ball" Dimer and Subsequent Encapsulation of Methane. An Advanced Organic Chemistry Laboratory Experiment

    NASA Astrophysics Data System (ADS)

    Hof, Fraser; Palmer, Liam C.; Rebek, Julius, Jr.

    2001-11-01

    While important to the biological and materials sciences, noncovalent interactions, self-folding, and self-assembly often receive little discussion in the undergraduate chemistry curriculum. The synthesis and NMR characterization of a molecular "tennis ball" in an advanced undergraduate organic chemistry laboratory is a simple and effective way to introduce the relevance of these concepts. In appropriate solvents, the monomer dimerizes through a seam of eight hydrogen bonds with encapsulation of a guest molecule and symmetry reminiscent of a tennis ball. The entire experiment can be completed in three lab periods, however large-scale synthetic preparation of the starting monomer by a teaching assistant would reduce the laboratory to a single lab period for NMR studies.

  16. Synthesis of Well-Defined Copper "N"-Heterocyclic Carbene Complexes and Their Use as Catalysts for a "Click Reaction": A Multistep Experiment that Emphasizes the Role of Catalysis in Green Chemistry

    ERIC Educational Resources Information Center

    Ison, Elon A.; Ison, Ana

    2012-01-01

    A multistep experiment for an advanced synthesis lab course that incorporates topics in organic-inorganic synthesis and catalysis and highlights green chemistry principles was developed. Students synthesized two "N"-heterocyclic carbene ligands, used them to prepare two well-defined copper(I) complexes and subsequently utilized the complexes as…

  17. Pilot-scale test of an advanced, integrated wastewater treatment process with sludge reduction, inorganic solids separation, phosphorus recovery, and enhanced nutrient removal (SIPER).

    PubMed

    Yan, Peng; Ji, Fangying; Wang, Jing; Fan, Jianping; Guan, Wei; Chen, Qingkong

    2013-08-01

    Sludge reduction technologies are increasingly important in wastewater treatment, but have some defects. In order to remedy them, a novel, integrated process including sludge reduction, inorganic solids separation, phosphorus recovery, and enhanced nutrient removal was developed. The pilot-scale system was operated steadily at a treatment scale of 10 m(3)/d for 90 days. The results showed excellent nutrient removal, with average removal efficiencies for NH4(+)-N, TN, TP, and COD reaching 98.2 ± 1.34%, 75.5 ± 3.46%, 95.3 ± 1.65%, and 92.7 ± 2.49%, respectively. The ratio of mixed liquor volatile suspended solids (MLVSS) to mixed liquor suspended solids (MLSS) in the system gradually increased, from 0.33 to 0.52. The process effectively prevented the accumulation of inert or inorganic solids in activated sludge. Phosphorus was recovered as a crystalline product with aluminum ion from wastewater. The observed sludge yield Yobs of the system was 0.103 gVSS/g COD, demonstrating that the system's sludge reduction potential is excellent.

  18. Shape control of inorganic nanoparticles from solution

    NASA Astrophysics Data System (ADS)

    Wu, Zhaohui; Yang, Shuanglei; Wu, Wei

    2016-01-01

    Inorganic materials with controllable shapes have been an intensely studied subject in nanoscience over the past decades. Control over novel and anisotropic shapes of inorganic nanomaterials differing from those of bulk materials leads to unique and tunable properties for widespread applications such as biomedicine, catalysis, fuels or solar cells and magnetic data storage. This review presents a comprehensive overview of shape-controlled inorganic nanomaterials via nucleation and growth theory and the control of experimental conditions (including supersaturation, temperature, surfactants and secondary nucleation), providing a brief account of the shape control of inorganic nanoparticles during wet-chemistry synthetic processes. Subsequently, typical mechanisms for shape-controlled inorganic nanoparticles and the general shape of the nanoparticles formed by each mechanism are also expounded. Furthermore, the differences between similar mechanisms for the shape control of inorganic nanoparticles are also clearly described. The authors envision that this review will provide valuable guidance on experimental conditions and process control for the synthesis of inorganic nanoparticles with tunable shapes in the solution state.

  19. Remote Monitoring, Inorganic Monitoring

    EPA Science Inventory

    This chapter provides an overview of applicability, amenability, and operating parameter ranges for various inorganic parameters:this chapter will also provide a compilation of existing and new online technologies for determining inorganic compounds in water samples. A wide vari...

  20. Teaching Thermodynamics and Kinetics to Advanced General Chemistry Students and to Upper-Level Undergraduate Students Using PV Diagrams

    ERIC Educational Resources Information Center

    Iyengar, Srinivasan S.; deSouza, Romualdo T.

    2014-01-01

    We describe how complex concepts in macroscopic chemistry, namely, thermodynamics and kinetics, can be taught at considerable depth both at the first-year undergraduate as well as upper levels. We begin with a careful treatment of PV diagrams, and by pictorially integrating the appropriate area in a PV diagram, we introduce work. This starting…

  1. Forster Resonance Energy Transfer and Conformational Stability of Proteins: An Advanced Biophysical Module for Physical Chemistry Students

    ERIC Educational Resources Information Center

    Sanchez, Katheryn M.; Schlamadinger, Diana E.; Gable, Jonathan E.; Kim, Judy E.

    2008-01-01

    Protein folding is an exploding area of research in biophysics and physical chemistry. Here, we describe the integration of several techniques, including absorption spectroscopy, fluorescence spectroscopy, and Forster resonance energy transfer (FRET) measurements, to probe important topics in protein folding. Cytochrome c is used as a model…

  2. Toward a New U.S. Chemicals Policy: Rebuilding the Foundation to Advance New Science, Green Chemistry, and Environmental Health

    PubMed Central

    Wilson, Michael P.; Schwarzman, Megan R.

    2009-01-01

    Objective We describe fundamental weaknesses in U.S. chemicals policy, present principles of chemicals policy reform, and articulate interdisciplinary research questions that should be addressed. With global chemical production projected to double over the next 24 years, federal policies that shape the priorities of the U.S. chemical enterprise will be a cornerstone of sustainability. To date, these policies have largely failed to adequately protect public health or the environment or motivate investment in or scientific exploration of cleaner chemical technologies, known collectively as green chemistry. On this trajectory, the United States will face growing health, environmental, and economic problems related to chemical exposures and pollution. Conclusions Existing policies have produced a U.S. chemicals market in which the safety of chemicals for human health and the environment is undervalued relative to chemical function, price, and performance. This market barrier to green chemistry is primarily a consequence of weaknesses in the Toxic Substances Control Act. These weaknesses have produced a chemical data gap, because producers are not required to investigate and disclose sufficient information on chemicals’ hazard traits to government, businesses that use chemicals, or the public; a safety gap, because government lacks the legal tools it needs to efficiently identify, prioritize, and take action to mitigate the potential health and environmental effects of hazardous chemicals; and a technology gap, because industry and government have invested only marginally in green chemistry research, development, and education. Policy reforms that close the three gaps—creating transparency and accountability in the market—are crucial for improving public and environmental health and reducing the barriers to green chemistry. The European Union’s REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) regulation has opened an opportunity for

  3. UCSD Geothermal Chemical Modeling Project: DOE Advanced Brine Chemistry Program. [University of California at San Diego (UCSD)

    SciTech Connect

    Moeller, N.; Weare, J.H.

    1992-04-01

    DOE funding to the UCSD Chemical Modeling Group supports research to provide computer models which will reliably characterize the equilibrium chemistry of geothermal brines (solution, solid and gas phases) under variable thermodynamic conditions. With this technology, it will be possible to rapidly and inexpensively predict the chemical behavior of geothermal brines during various resource recovery stages; exploration, production, plant energy extraction and rejection as well as in ancillary programs such as mineral recovery. Our modeling technology is based on recent progress in the physical chemistry of concentrated aqueous solutions. The behavior of these fluids has not been predicted from first principle theories. However, because of the importance of concentrated brines to many industrial and natural processes, there have been numerous efforts to develop accurate phenomenological expressions for predicting the chemical behavior of these brines. One of the most successful of these efforts is that of Pitzer and coworkers. Incorporating the semiempirical equations of Pitzer, we have shown at UCSD that we can create highly accurate models of brine-solid-gas chemistry.

  4. An overview of the fundamentals of the chemistry of silica with relevance to biosilicification and technological advances

    PubMed Central

    Belton, David J.; Deschaume, Olivier; Perry, Carole C.

    2012-01-01

    Biomineral formation is widespread in Nature and occurs in bacteria, single-celled protists, plants, invertebrates and vertebrates. Minerals formed in the biological environment often show unusual physical properties (e.g., strength, degree of hydration) and often have structures that exhibit order on many length scales. Biosilica, found in single cell organisms through to higher plants and primitive animals (sponges) is formed from an environment that is undersaturated with respect to silicon and under conditions of around neutral pH and low temperature ca. 4–40 °C. Formation of the mineral may occur intra- or extra-cellularly and specific biochemical locations for mineral deposition that include lipids, proteins and carbohydrates are known. In most cases the formation of the mineral phase is linked to cellular processes, understanding of which could lead to the design of new materials for biomedical, optical and other applications. In this contribution we describe the aqueous chemistry of silica, from uncondensed monomer through to colloidal particles and three dimensional structures, relevant to the environment from which the biomineral forms. We then describe the chemistry of silica formation from alkoxides such as tetraethoxysilane as this and other silanes have been used to study the chemistry of silica formation using silicatein and such precursors are often used in the preparation of silicas for technological applications. The focus of this article is on the methods, experimental and computational by which the process of silica formation can be studied with emphasis on speciation. PMID:22333209

  5. The effects of using screencasting as a multimedia pre-training tool to manage the intrinsic cognitive load of chemical equilibrium instruction for advanced high school chemistry students

    NASA Astrophysics Data System (ADS)

    Musallam, Ramsey

    Chemistry is a complex knowledge domain. Specifically, research notes that Chemical Equilibrium presents greater cognitive challenges than other topics in chemistry. Cognitive Load Theory describes the impact a subject, and the learning environment, have on working memory. Intrinsic load is the facet of Cognitive Load Theory that explains the complexity innate to complex subjects. The purpose of this study was to build on the limited research into intrinsic cognitive load, by examining the effects of using multimedia screencasts as a pre-training technique to manage the intrinsic cognitive load of chemical equilibrium instruction for advanced high school chemistry students. A convenience sample of 62 fourth-year high school students enrolled in an advanced chemistry course from a co-ed high school in urban San Francisco were given a chemical equilibrium concept pre-test. Upon conclusion of the pre-test, students were randomly assigned to two groups: pre-training and no pre-training. The pre-training group received a 10 minute and 52 second pre-training screencast that provided definitions, concepts and an overview of chemical equilibrium. After pre-training both group received the same 50-minute instructional lecture. After instruction, all students were given a chemical equilibrium concept post-test. Independent sample t-tests were conducted to examine differences in performance and intrinsic load. No significant differences in performance or intrinsic load, as measured by ratings of mental effort, were observed on the pre-test. Significant differences in performance, t(60)=3.70, p=.0005, and intrinsic load, t(60)=5.34, p=.0001, were observed on the post-test. A significant correlation between total performance scores and total mental effort ratings was also observed, r(60)=-0.44, p=.0003. Because no significant differences in prior knowledge were observed, it can be concluded that pre-training was successful at reducing intrinsic load. Moreover, a significant

  6. An overview of the fundamentals of the chemistry of silica with relevance to biosilicification and technological advances.

    PubMed

    Belton, David J; Deschaume, Olivier; Perry, Carole C

    2012-05-01

    Biomineral formation is widespread in nature, and occurs in bacteria, single-celled protists, plants, invertebrates, and vertebrates. Minerals formed in the biological environment often show unusual physical properties (e.g. strength, degree of hydration) and often have structures that exhibit order on many length scales. Biosilica, found in single-celled organisms through to higher plants and primitive animals (sponges), is formed from an environment that is undersaturated with respect to silicon, and under conditions of approximately neutral pH and relatively low temperatures of 4-40 °C compared to those used industrially. Formation of the mineral may occur intracellularly or extracellularly, and specific biochemical locations for mineral deposition that include lipids, proteins and carbohydrates are known. In most cases, the formation of the mineral phase is linked to cellular processes, an understanding of which could lead to the design of new materials for biomedical, optical and other applications. In this contribution, we describe the aqueous chemistry of silica, from uncondensed monomers through to colloidal particles and 3D structures, that is relevant to the environment from which the biomineral forms. We then describe the chemistry of silica formation from alkoxides such as tetraethoxysilane, as this and other silanes have been used to study the chemistry of silica formation using silicatein, and such precursors are often used in the preparation of silicas for technological applications. The focus of this article is on the methods, experimental and computational, by which the process of silica formation can be studied, with an emphasis on speciation.

  7. An overview of the fundamentals of the chemistry of silica with relevance to biosilicification and technological advances.

    PubMed

    Belton, David J; Deschaume, Olivier; Perry, Carole C

    2012-05-01

    Biomineral formation is widespread in nature, and occurs in bacteria, single-celled protists, plants, invertebrates, and vertebrates. Minerals formed in the biological environment often show unusual physical properties (e.g. strength, degree of hydration) and often have structures that exhibit order on many length scales. Biosilica, found in single-celled organisms through to higher plants and primitive animals (sponges), is formed from an environment that is undersaturated with respect to silicon, and under conditions of approximately neutral pH and relatively low temperatures of 4-40 °C compared to those used industrially. Formation of the mineral may occur intracellularly or extracellularly, and specific biochemical locations for mineral deposition that include lipids, proteins and carbohydrates are known. In most cases, the formation of the mineral phase is linked to cellular processes, an understanding of which could lead to the design of new materials for biomedical, optical and other applications. In this contribution, we describe the aqueous chemistry of silica, from uncondensed monomers through to colloidal particles and 3D structures, that is relevant to the environment from which the biomineral forms. We then describe the chemistry of silica formation from alkoxides such as tetraethoxysilane, as this and other silanes have been used to study the chemistry of silica formation using silicatein, and such precursors are often used in the preparation of silicas for technological applications. The focus of this article is on the methods, experimental and computational, by which the process of silica formation can be studied, with an emphasis on speciation. PMID:22333209

  8. Chemistry Division annual progress report for period ending July 31, 1981

    SciTech Connect

    Not Available

    1982-01-01

    Research is reported on: chemistry of coal liquefaction, aqueous chemistry at high temperatures, geosciences, high-temperature chemistry and thermodynamics of structural materials, chemistry of TRU elements and compounds, separations chemistry, electrochemistry, nuclear waste chemistry, chemical physics, theoretical chemistry, inorganic chemistry of hydrogen cycles, molten salt systems, and enhanced oil recovery. Separate abstracts were prepared for the sections dealing with coal liquefaction, TRU elements and compounds, separations, nuclear wastes, and enhanced oil recovery. (DLC)

  9. Chemistry in Microfluidic Channels

    ERIC Educational Resources Information Center

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

    2011-01-01

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

  10. Inorganic contents of peats

    SciTech Connect

    Raymond, R. Jr.; Bish, D.L.; Cohen, A.D.

    1988-02-01

    Peat, the precursor of coal, is composed primarily of plant components and secondarily of inorganic matter derived from a variety of sources. The elemental, mineralogic, and petrographic composition of a peat is controlled by a combination of both its botanical and depositional environment. Inorganic contents of peats can vary greatly between geographically separated peat bogs as well as vertially and horizontally within an individual bog. Predicting the form and distribution of inorganic matter in a coal deposit requires understanding the distribution and preservation of inorganic matter in peat-forming environments and diagenetic alterations affecting such material during late-stage peatification and coalification processes. 43 refs., 4 figs., 3 tabs.

  11. Inorganic Nanomaterials as Carriers for Drug Delivery.

    PubMed

    Chen, Shizhu; Hao, Xiaohong; Liang, Xingjie; Zhang, Qun; Zhang, Cuimiao; Zhou, Guoqiang; Shen, Shigang; Jia, Guang; Zhang, Jinchao

    2016-01-01

    For safe and effective therapy, drugs must be delivered efficiently and with minimal systemic side effects. Nanostructured drug carriers enable the delivery of small-molecule drugs as well as nucleic acids and proteins. Inorganic nanomaterials are ideal for drug delivery platforms due to their unique physicochemical properties, such as facile preparation, good storage stability and biocompatibility. Many inorganic nanostructure-based drug delivery platforms have been prepared. Although there are still many obstacles to overcome, significant advances have been made in recent years. This review focuses on the status and development of inorganic nanostructures, including silica, quantum dots, gold, carbon-based and magnetic iron oxide-based nanostructures, as carriers for chemical and biological drugs. We specifically highlight the extensive use of these inorganic drug carriers for cancer therapy. Finally, we discuss the most important areas in the field that urgently require further study. PMID:27301169

  12. Chemistry WebBook

    National Institute of Standards and Technology Data Gateway

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

  13. Complementary Spectroscopic Assays for Investigating Protein-Ligand Binding Activity: A Project for the Advanced Chemistry Laboratory

    ERIC Educational Resources Information Center

    Mascotti, David P.; Waner, Mark J.

    2010-01-01

    A protein-ligand binding, guided-inquiry laboratory project with potential application across the advanced undergraduate curriculum is described. At the heart of the project are fluorescence and spectrophotometric assays utilizing biotin-4-fluorescein and streptavidin. The use of the same stock solutions for an assay that may be examined by two…

  14. 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.

  15. New Guidelines for Undergraduate Chemistry Curricula Examined.

    ERIC Educational Resources Information Center

    Worthy, Ward

    1989-01-01

    Reviews current biochemistry, education, and polymer course options found in chemistry programs. Proposes a new core curriculum with 28 semester hours with courses in inorganic, chemical, and instrumental analysis, organic, bioorganic, and physical chemistry. Notes that the new curriculum would better prepare students for the existing employment…

  16. Recent advances in quantitative LA-ICP-MS analysis: challenges and solutions in the life sciences and environmental chemistry.

    PubMed

    Limbeck, Andreas; Galler, Patrick; Bonta, Maximilian; Bauer, Gerald; Nischkauer, Winfried; Vanhaecke, Frank

    2015-09-01

    Laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) is a widely accepted method for direct sampling of solid materials for trace elemental analysis. The number of reported applications is high and the application range is broad; besides geochemistry, LA-ICP-MS is mostly used in environmental chemistry and the life sciences. This review focuses on the application of LA-ICP-MS for quantification of trace elements in environmental, biological, and medical samples. The fundamental problems of LA-ICP-MS, such as sample-dependent ablation behavior and elemental fractionation, can be even more pronounced in environmental and life science applications as a result of the large variety of sample types and conditions. Besides variations in composition, the range of available sample states is highly diverse, including powders (e.g., soil samples, fly ash), hard tissues (e.g., bones, teeth), soft tissues (e.g., plants, tissue thin-cuts), or liquid samples (e.g., whole blood). Within this article, quantification approaches that have been proposed in the past are critically discussed and compared regarding the results obtained in the applications described. Although a large variety of sample types is discussed within this article, the quantification approaches used are similar for many analytical questions and have only been adapted to the specific questions. Nevertheless, none of them has proven to be a universally applicable method.

  17. Inorganic nanolayers: structure, preparation, and biomedical applications.

    PubMed

    Saifullah, Bullo; Hussein, Mohd Zobir B

    2015-01-01

    Hydrotalcite-like compounds are two-dimensional inorganic nanolayers also known as clay minerals or anionic clays or layered double hydroxides/layered hydroxy salts, and have emerged as a single type of material with numerous biomedical applications, such as drug delivery, gene delivery, cosmetics, and biosensing. Inorganic nanolayers are promising materials due to their fascinating properties, such as ease of preparation, ability to intercalate different type of anions (inorganic, organic, biomolecules, and even genes), high thermal stability, delivery of intercalated anions in a sustained manner, high biocompatibility, and easy biodegradation. Inorganic nanolayers have been the focus for researchers over the last decade, resulting in widening application horizons, especially in the field of biomedical science. These nanolayers have been widely applied in drug and gene delivery. They have also been applied in biosensing technology, and most recently in bioimaging science. The suitability of inorganic nanolayers for application in drug delivery, gene delivery, biosensing technology, and bioimaging science makes them ideal materials to be applied for theranostic purposes. In this paper, we review the structure, methods of preparation, and latest advances made by inorganic nanolayers in such biomedical applications as drug delivery, gene delivery, biosensing, and bioimaging. PMID:26366081

  18. Inorganic nanolayers: structure, preparation, and biomedical applications

    PubMed Central

    Saifullah, Bullo; Hussein, Mohd Zobir B

    2015-01-01

    Hydrotalcite-like compounds are two-dimensional inorganic nanolayers also known as clay minerals or anionic clays or layered double hydroxides/layered hydroxy salts, and have emerged as a single type of material with numerous biomedical applications, such as drug delivery, gene delivery, cosmetics, and biosensing. Inorganic nanolayers are promising materials due to their fascinating properties, such as ease of preparation, ability to intercalate different type of anions (inorganic, organic, biomolecules, and even genes), high thermal stability, delivery of intercalated anions in a sustained manner, high biocompatibility, and easy biodegradation. Inorganic nanolayers have been the focus for researchers over the last decade, resulting in widening application horizons, especially in the field of biomedical science. These nanolayers have been widely applied in drug and gene delivery. They have also been applied in biosensing technology, and most recently in bioimaging science. The suitability of inorganic nanolayers for application in drug delivery, gene delivery, biosensing technology, and bioimaging science makes them ideal materials to be applied for theranostic purposes. In this paper, we review the structure, methods of preparation, and latest advances made by inorganic nanolayers in such biomedical applications as drug delivery, gene delivery, biosensing, and bioimaging. PMID:26366081

  19. PEGylated Inorganic Nanoparticles

    SciTech Connect

    Karakoti, Ajay S.; Das, Soumya; Thevuthasan, Suntharampillai; Seal, Sudipta

    2011-02-25

    Application of inorganic nanoparticles in diagnosis and therapy has become a critical component in targeted treatment of diseases. The surface modification of inorganic oxides is important for providing diversity in size, shape, solubility, long term stability and attachment of selective functional groups. PEGylation of surfaces is a key strategic approach for providing stealth characteristics to nanomaterials otherwise identified as foreign materials by human body. The current review describes the role of surface modification of oxides by polyethylene glycol (PEG) in providing versatile characteristics to inorganic oxide nanoparticles with a focus on their biomedical applications. The role of PEG as structure directing agent in synthesis of oxides is also captured in this short review.

  20. Development of advanced in situ techniques for chemistry monitoring and corrosion mitigation in SCWO environments. 1997 annual progress report

    SciTech Connect

    Meng, Z.; Zhou, X.Y.; Lvov, S.N.; Macdonald, D.D.

    1997-10-01

    'This report evaluates the first year''s results of the research on the development of advanced electrochemical sensors for use in high subcritical and supercritical aqueous environments. The work has emphasized the designing of an advanced reference electrode, and the development of high-temperature pH and redox sensors for characterizing the fundamental properties of supercritical aqueous solutions. Also, electrochemical noise sensors have been designed for characterizing metal/water interactions, including corrosion processes. A test loop has been designed and constructed to meet the expected operation conditions. The authors have also developed an approach to define a practical pH scale for use with supercritical aqueous systems and an operational electrochemical thermocell was tested for pH measurements in HCl + NaCl aqueous solutions. The potentials of the thermocell for several HCl(aq) solutions of different concentrations have been measured over wide ranges of temperature from 25 to 400 C and for flow rates from 0.1 to 1.5 cm min{sup -1} . The corresponding pH differences ({Delta}pH) for two HCl(aq) concentrations in 0.1 NaCl(aq) solution have been experimentally derived and thermodynamically analyzed. Their first experimental measurements, and subsequent theoretical analysis, clearly demonstrate the viability of pH measurements in high subcritical and supercritical aqueous solutions with a high accuracy of \\2610.02 to 0.05 units.'

  1. U.S. Students Win Medals in International Chemistry Olympiad.

    ERIC Educational Resources Information Center

    Rawls, Rebecca

    1985-01-01

    The four members of the American team in the International Chemistry Olympiad won medals in this international competition (which involved written/laboratory examinations in organic, inorganic, and physical chemistry, and biochemistry). Selection of the team involved a nationwide examination and participation in a two-week chemistry camp. (DH)

  2. A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds

    NASA Astrophysics Data System (ADS)

    de Jong, Maarten; Chen, Wei; Notestine, Randy; Persson, Kristin; Ceder, Gerbrand; Jain, Anubhav; Asta, Mark; Gamst, Anthony

    2016-10-01

    Materials scientists increasingly employ machine or statistical learning (SL) techniques to accelerate materials discovery and design. Such pursuits benefit from pooling training data across, and thus being able to generalize predictions over, k-nary compounds of diverse chemistries and structures. This work presents a SL framework that addresses challenges in materials science applications, where datasets are diverse but of modest size, and extreme values are often of interest. Our advances include the application of power or Hölder means to construct descriptors that generalize over chemistry and crystal structure, and the incorporation of multivariate local regression within a gradient boosting framework. The approach is demonstrated by developing SL models to predict bulk and shear moduli (K and G, respectively) for polycrystalline inorganic compounds, using 1,940 compounds from a growing database of calculated elastic moduli for metals, semiconductors and insulators. The usefulness of the models is illustrated by screening for superhard materials.

  3. A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds

    PubMed Central

    de Jong, Maarten; Chen, Wei; Notestine, Randy; Persson, Kristin; Ceder, Gerbrand; Jain, Anubhav; Asta, Mark; Gamst, Anthony

    2016-01-01

    Materials scientists increasingly employ machine or statistical learning (SL) techniques to accelerate materials discovery and design. Such pursuits benefit from pooling training data across, and thus being able to generalize predictions over, k-nary compounds of diverse chemistries and structures. This work presents a SL framework that addresses challenges in materials science applications, where datasets are diverse but of modest size, and extreme values are often of interest. Our advances include the application of power or Hölder means to construct descriptors that generalize over chemistry and crystal structure, and the incorporation of multivariate local regression within a gradient boosting framework. The approach is demonstrated by developing SL models to predict bulk and shear moduli (K and G, respectively) for polycrystalline inorganic compounds, using 1,940 compounds from a growing database of calculated elastic moduli for metals, semiconductors and insulators. The usefulness of the models is illustrated by screening for superhard materials. PMID:27694824

  4. Analytical Chemistry Division annual progress report: For period ending December 31, 1987

    SciTech Connect

    Not Available

    1988-05-01

    This report is divided into analytical spectroscopy; radioactive materials analysis; inorganic chemistry; organic chemistry; ORNL environmental programs; quality assurance, safety, and training; supplementary activities; and presentation of research results.

  5. Advanced solids NMR studies of coal structure and chemistry. Progress report, September 1, 1995--February 28, 1996

    SciTech Connect

    Zilm, K.W.

    1996-09-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. Our goals are twofold. First, we are interested in developing new methods that will enable us to measure important structural parameters in whole coals not directly accessible by other techniques. In parallel with these efforts we will apply these NMR methods in a study of the chemical differences between gas-sourcing and oil-sourcing coals. The NMR methods work will specifically focus on determination of the number and types of methylene groups, determination of the number and types of methine groups, identification of carbons adjacent to nitrogen and sites with exchangeable protons, and methods to more finely characterize the distribution of hydrogen in coals. We will also develop NMR methods for probing coal macropore structure using hyperpolarized {sup 129}Xe as a probe, and study the molecular dynamics of what appear to be mobile, CH{sub 2} rich, long chain hydrocarbons. The motivation for investigating these specific structural features of coals arises from their relevance to the chemical reactivity of some types of coals. The coals to be studied and contrasted include oil-prone coals from Australia and Indonesia, those comprising the Argonne Premium Coal Sample bank, and other relevant samples.

  6. Growth, characterization and post-processing of inorganic and hybrid organic-inorganic thin films deposited using atomic and molecular layer deposition techniques

    NASA Astrophysics Data System (ADS)

    Abdulagatov, Aziz Ilmutdinovich

    Atomic layer deposition (ALD) and molecular layer deposition (MLD) are advanced thin film coating techniques developed for deposition of inorganic and hybrid organic-inorganic films respectively. Decreasing device dimensions and increasing aspect ratios in semiconductor processing has motivated developments in ALD. The beginning of this thesis will cover study of new ALD chemistry for high dielectric constant Y 2O3. In addition, the feasibility of conducting low temperature ALD of TiN and TiAlN is explored using highly reactive hydrazine as a new nitrogen source. Developments of these ALD processes are important for the electronics industry. As the search for new materials with more advanced properties continues, attention has shifted toward exploring the synthesis of hierarchically nanostructured thin films. Such complex architectures can provide novel functions important to the development of state of the art devices for the electronics industry, catalysis, energy conversion and memory storage as a few examples. Therefore, the main focus of this thesis is on the growth, characterization, and post-processing of ALD and MLD films for fabrication of novel composite (nanostructured) thin films. Novel composite materials are created by annealing amorphous ALD oxide alloys in air and by heat treatment of hybrid organic-inorganic MLD films in inert atmosphere (pyrolysis). The synthesis of porous TiO2 or Al2O3 supported V2O5 for enhanced surface area catalysis was achieved by the annealing of inorganic TiVxOy and AlV xOy ALD films in air. The interplay between phase separation, surface energy difference, crystallization, and melting temperature of individual oxides were studied for their control of film morphology. In other work, a class of novel metal oxide-graphitic carbon composite thin films was produced by pyrolysis of MLD hybrid organic-inorganic films. For example, annealing in argon of titania based hybrid films enabled fabrication of thin films of intimately

  7. Advanced inorganic separators for alkaline batteries

    NASA Technical Reports Server (NTRS)

    Sheibley, D. W. (Inventor)

    1982-01-01

    A flexible, porous battery separator comprising a coating applied to a porous, flexible substrate is described. The coating comprises: (1) a thermoplastic rubber-based resin which is insoluble and unreactive in the alkaline electrolyte; (2) a polar organic plasticizer which is reactive with the alkaline electrolyte to produce a reaction product which contains a hydroxyl group and/or a carboxylic acid group; and (3) a mixture of polar particulate filler materials which are unreactive with the electrolyte, the mixture comprising at least one first filler material having a surface area of greater than 25 meters sq/gram, at least one second filler material having a surface area of 10 to 25 sq meters/gram, wherein the volume of the mixture of filler materials is less than 45% of the total volume of the fillers and the binder, the filler surface area per gram of binder is about 20 to 60 sq meters/gram, and the amount of plasticizer is sufficient to coat each filler particle. A method of forming the battery separator is also described.

  8. Bulk synthesis of polymer-inorganic colloidal clusters.

    PubMed

    Perro, Adeline; Manoharan, Vinothan N

    2010-12-21

    We describe a procedure to synthesize colloidal clusters with polyhedral morphologies in high yield (liter quantities at up to 70% purity) using a combination of emulsion polymerization and inorganic surface chemistry. We show that the synthesis initially used for silica-polystyrene hybrid clusters can be generalized to create clusters from other inorganic and polymer particles. We also show that high yields of particular morphologies can be obtained by precise control of the inorganic seed particle size, a finding that can be explained using a hard-sphere packing model. These clusters can be further chemically modified for a variety of applications. Introducing a cross-linker leads to colloidal clusters that can be index matched in an appropriate solvent, allowing them to be used for particle tracking or optical studies of colloidal self-assembly. Also, depositing a thin silica layer on these colloids allows the surface properties to be controlled using silane chemistry.

  9. Bulk synthesis of polymer-inorganic colloidal clusters.

    PubMed

    Perro, Adeline; Manoharan, Vinothan N

    2010-12-21

    We describe a procedure to synthesize colloidal clusters with polyhedral morphologies in high yield (liter quantities at up to 70% purity) using a combination of emulsion polymerization and inorganic surface chemistry. We show that the synthesis initially used for silica-polystyrene hybrid clusters can be generalized to create clusters from other inorganic and polymer particles. We also show that high yields of particular morphologies can be obtained by precise control of the inorganic seed particle size, a finding that can be explained using a hard-sphere packing model. These clusters can be further chemically modified for a variety of applications. Introducing a cross-linker leads to colloidal clusters that can be index matched in an appropriate solvent, allowing them to be used for particle tracking or optical studies of colloidal self-assembly. Also, depositing a thin silica layer on these colloids allows the surface properties to be controlled using silane chemistry. PMID:21080658

  10. Inorganic Janus particles for biomedical applications

    PubMed Central

    Schick, Isabel; Lorenz, Steffen; Gehrig, Dominik; Tenzer, Stefan; Storck, Wiebke; Fischer, Karl; Strand, Dennis; Laquai, Frédéric

    2014-01-01

    Summary Based on recent developments regarding the synthesis and design of Janus nanoparticles, they have attracted increased scientific interest due to their outstanding properties. There are several combinations of multicomponent hetero-nanostructures including either purely organic or inorganic, as well as composite organic–inorganic compounds. Janus particles are interconnected by solid state interfaces and, therefore, are distinguished by two physically or chemically distinct surfaces. They may be, for instance, hydrophilic on one side and hydrophobic on the other, thus, creating giant amphiphiles revealing the endeavor of self-assembly. Novel optical, electronic, magnetic, and superficial properties emerge in inorganic Janus particles from their dimensions and unique morphology at the nanoscale. As a result, inorganic Janus nanoparticles are highly versatile nanomaterials with great potential in different scientific and technological fields. In this paper, we highlight some advances in the synthesis of inorganic Janus nanoparticles, focusing on the heterogeneous nucleation technique and characteristics of the resulting high quality nanoparticles. The properties emphasized in this review range from the monodispersity and size-tunability and, therefore, precise control over size-dependent features, to the biomedical application as theranostic agents. Hence, we show their optical properties based on plasmonic resonance, the two-photon activity, the magnetic properties, as well as their biocompatibility and interaction with human blood serum. PMID:25551063

  11. Inorganic delivery vector for intravenous injection.

    PubMed

    Kwak, Seo-Young; Kriven, Waltraud M; Wallig, Matthew A; Choy, Jin-Ho

    2004-12-01

    Uniform, small-sized (100-200 nm), layered double hydroxides (LDH) were prepared by a conventional, wet chemistry method using different aging times of 1 and 3 days as an inorganic drug or gene delivery carrier. The samples prepared had a hexagonal thin, plate-like shape and TEM/SAD electron microscopy of LDH particles indicated that they were single crystals. In vivo testing of empty LDH administered to adult male Sprague Dawley rats was done to evaluate the possibility of using LDH as an injectable drug delivery vehicle.

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

    DOE PAGES

    Song, Yang; Manaa, M. Riad

    2012-01-26

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

  13. All-Inorganic Germanium Nanocrystal Films by Cationic Ligand Exchange.

    PubMed

    Wheeler, Lance M; Nichols, Asa W; Chernomordik, Boris D; Anderson, Nicholas C; Beard, Matthew C; Neale, Nathan R

    2016-03-01

    We introduce a new paradigm for group IV nanocrystal surface chemistry based on room temperature surface activation that enables ionic ligand exchange. Germanium nanocrystals synthesized in a gas-phase plasma reactor are functionalized with labile, cationic alkylammonium ligands rather than with traditional covalently bound groups. We employ Fourier transform infrared and (1)H nuclear magnetic resonance spectroscopies to demonstrate the alkylammonium ligands are freely exchanged on the germanium nanocrystal surface with a variety of cationic ligands, including short inorganic ligands such as ammonium and alkali metal cations. This ionic ligand exchange chemistry is used to demonstrate enhanced transport in germanium nanocrystal films following ligand exchange as well as the first photovoltaic device based on an all-inorganic germanium nanocrystal absorber layer cast from solution. This new ligand chemistry should accelerate progress in utilizing germanium and other group IV nanocrystals for optoelectronic applications.

  14. All-inorganic Germanium nanocrystal films by cationic ligand exchange

    DOE PAGES

    Wheeler, Lance M.; Nichols, Asa W.; Chernomordik, Boris D.; Anderson, Nicholas C.; Beard, Matthew C.; Neale, Nathan R.

    2016-01-21

    In this study, we introduce a new paradigm for group IV nanocrystal surface chemistry based on room temperature surface activation that enables ionic ligand exchange. Germanium nanocrystals synthesized in a gas-phase plasma reactor are functionalized with labile, cationic alkylammonium ligands rather than with traditional covalently bound groups. We employ Fourier transform infrared and 1H nuclear magnetic resonance spectroscopies to demonstrate the alkylammonium ligands are freely exchanged on the germanium nanocrystal surface with a variety of cationic ligands, including short inorganic ligands such as ammonium and alkali metal cations. This ionic ligand exchange chemistry is used to demonstrate enhanced transport inmore » germanium nanocrystal films following ligand exchange as well as the first photovoltaic device based on an all-inorganic germanium nanocrystal absorber layer cast from solution. This new ligand chemistry should accelerate progress in utilizing germanium and other group IV nanocrystals for optoelectronic applications.« less

  15. Lead and compounds (inorganic)

    Integrated Risk Information System (IRIS)

    Lead and compounds ( inorganic ) ; CASRN 7439 - 92 - 1 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for

  16. Geological and Inorganic Materials.

    ERIC Educational Resources Information Center

    Jackson, L. L.; And Others

    1989-01-01

    Presents a review focusing on techniques and their application to the analysis of geological and inorganic materials that offer significant changes to research and routine work. Covers geostandards, spectroscopy, plasmas, microbeam techniques, synchrotron X-ray methods, nuclear activation methods, chromatography, and electroanalytical methods.…

  17. A phenomenological analysis of the essence of the science education experience as perceived by female high school physics and advanced chemistry students

    NASA Astrophysics Data System (ADS)

    Papadimitriou, Michael

    The purpose of this phenomenological study was to describe the essential elements of the current science education experience as constructed by twelve female high school physics and advanced chemistry students. The expressed desired outcome was a description of the phenomenon from a participant point of view. Student recollections and interpretations of experiences were assessed for a twelve-week period. Data sources were student journals, autobiographies, interviews, focus group interviews and researcher observations. In addition, each participant completed the Test of Science Related Attitudes (Fraser, 1981) in order to create attitude profiles for triangulation with other data. While a wide range of aspects of the science education experience emerged, results showed that female students describe and interpret their science education experiences on the basis of actual interest in science, early science experiences, perception of ability, self-confidence, teacher attributes, parental and peer interaction, societal expectations, the nature of science, and gender. Of these factors, specifically, interest and curiosity, societal influence, the nature of science, lack of in-school experiences, the desire to help others, and general parent support were most impacting upon experience and the desire to continue science study. Moreover, the interaction of these factors is relevant. Very simply, early experiences are crucial to interest development. In general, parents can enhance this interest by providing science-related experiences. In the absence of early in-school experiences (i.e., which the participants reported), these out-of-school experiences become crucial. More importantly, quality instruction and parent and peer support are needed to foster science interest and to overcome the powerfully negative influence of society, the discriminatory nature of science, and the lack of experiences.

  18. Chemical Principles Revisited: Some Aspects of Coordination Chemistry.

    ERIC Educational Resources Information Center

    Mickey, Charles D.

    1981-01-01

    Reviews characteristics of coordination chemistry, the study of coordination compounds, a major focal point for the inorganic chemist. Provides a brief history regarding the Wernerian System and background information in modern coordination theory. (CS)

  19. An Undergraduate Laboratory Experiment in Bioinorganic Chemistry: Ligation States of Myoglobin

    ERIC Educational Resources Information Center

    Bailey, James A.

    2011-01-01

    Although there are numerous inorganic model systems that are readily presented as undergraduate laboratory experiments in bioinorganic chemistry, there are few examples that explore the inorganic chemistry of actual biological molecules. We present a laboratory experiment using the oxygen-binding protein myoglobin that can be easily incorporated…

  20. Inorganic chemically active adsorbents (ICAAs)

    SciTech Connect

    Ally, M.R.; Tavlarides, L.

    1997-10-01

    Oak Ridge National Laboratory (ORNL) researchers are developing a technology that combines metal chelation extraction technology and synthesis chemistry. They begin with a ceramic substrate such as alumina, titanium oxide or silica gel because they provide high surface area, high mechanical strength, and radiolytic stability. One preparation method involves silylation to hydrophobize the surface, followed by chemisorption of a suitable chelation agent using vapor deposition. Another route attaches newly designed chelating agents through covalent bonding by the use of coupling agents. These approaches provide stable and selective, inorganic chemically active adsorbents (ICAAs) tailored for removal of metals. The technology has the following advantages over ion exchange: (1) higher mechanical strength, (2) higher resistance to radiation fields, (3) higher selectivity for the desired metal ion, (4) no cation exchange, (5) reduced or no interference from accompanying anions, (6) faster kinetics, and (7) easy and selective regeneration. Target waste streams include metal-containing groundwater/process wastewater at ORNL`s Y-12 Plant (multiple metals), Savannah River Site (SRS), Rocky Flats (multiple metals), and Hanford; aqueous mixed wastes at Idaho National Engineering Laboratory (INEL); and scrubber water generated at SRS and INEL. Focus Areas that will benefit from this research include Mixed Waste, and Subsurface Contaminants.

  1. A Quantum Chemistry Concept Inventory for Physical Chemistry Classes

    ERIC Educational Resources Information Center

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

    2016-01-01

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

  2. [The research progress of dynamic combinatorial chemistry].

    PubMed

    He, Wei; She, Peng-Wei; Fang, Zheng; Guo, Kai

    2013-06-01

    As a novel branch of combinational chemistry, dynamic combinatorial chemistry (DCC) can be viewed as a technique which combines library synthesis and screening in one pot. By addition of molecular target, ligangds, which show binding affinity or strong interaction with the molecular target, can be amplified an young but rapidly growing branch of combinatorial chemistry, has been widely used in organic chemistry, biochemistry, material fields. Ligands in the library can be amplified, since synthesis of the library is screened by a molecular target. Therefore, these structures could be identified easily. Consequently DCC has been widely used in the lead discovery, material chemistry and other fields. On the basis of the principle and method of DCC, this review emphasizes the three factors of DCC, including molecular targets (bio-enzyme, lectin, nucleic acid, organic molecule, inorganic molecule); reaction (disulphide chemistry, ammoniation reduction reaction, hydrazone chemistry, etc.) and analytical method. Meanwhile, limitation, current situation and future development of DCC were also discussed in this paper.

  3. Moving Beyond the Single Center--Ways to Reinforce Molecular Orbital Theory in an Inorganic Course

    ERIC Educational Resources Information Center

    Cass, Marion E.; Hollingsworth, William E.

    2004-01-01

    It is suggested that molecular theory should be taught earlier in the inorganic chemistry curriculum even in the introductory chemistry course in order to integrate molecular orbital arguments more effectively throughout the curriculum. The method of teaching relies on having access to molecular modeling software as having access to such software…

  4. Spreadsheets in Advanced Physical Chemistry.

    ERIC Educational Resources Information Center

    Kari, Roy

    1990-01-01

    Described are several spreadsheet templates which use the functions of iteration and logical look-up which allow students to calculate and graph quantum mechanical functions and to simulate rotational and vibrational energy level and spectra. The templates are listed in the appendix. (KR)

  5. Recent advances in isoxazole chemistry

    NASA Astrophysics Data System (ADS)

    Galenko, A. V.; Khlebnikov, A. F.; Novikov, M. S.; Pakalnis, V. V.; Rostovskii, N. V.

    2015-04-01

    The preparation methods and reactions of isoxazoles are described and systematized on the basis of analysis of the literature published from 2005 to present. In the discussion of synthesis, major attention is focused on the most efficient approaches: condensation of hydroxylamine with 1,3-dielectrophiles and reactions of nitrile oxides with alkenes and alkynes. Five-membered ring opening reactions leading to acyclic functionalized or other heterocyclic compounds are considered. The transformations of isoxazole derivatives that occur without ring cleavage to form fused heterocyclic systems, as well as reactions that lead to the introduction of C-substituents into isoxazoles, are considered. Data on the biological activity of some isoxazole derivatives are reported. The bibliography includes 439 references.

  6. PNNL's 'PEGASUS' Advances Atmospheric Chemistry

    SciTech Connect

    Berkowitz, Carl M.; Eades, Robert A.

    2001-04-16

    Presented an overview of software design to maximize computational efficiency on a massively parallel computing system. Also gave highlights of scientific results from this code, focusing primarily on how we can distinguish between stratospheric ozone in remote atmospheres and ozone generated from NOx/VOC chemical mechanisms.

  7. Soil Inorganic Nitrogen Cycling during Successional Change in a Northern Temperate Forest

    NASA Astrophysics Data System (ADS)

    Nave, L. E.; Sparks, J. P.; Le Moine, J.; Hardiman, B. S.; Nadelhoffer, K. J.; Strahm, B. D.; Curtis, P.

    2012-12-01

    Transformations and fluxes of inorganic nitrogen (N) compounds in forest soils are the basis for major biogeochemical functions. Inorganic N fluxes contribute significantly to plant and microbial N nutrition, mediate the exchange of reactive, gas-phase N between the biosphere and atmosphere, and are coupled via hydrologic linkages to N cycling in surface and groundwater. However, soil inorganic N cycling may change during forest succession due to shifts in tree species composition, ecosystem N capital and distribution, or other drivers. Within the framework of a paired-ecosystem, experimentally accelerated successional advancement, we synthesized comprehensive measurements of soil and soil surface inorganic N fluxes to: a) quantify changes in, and interactions between, the component processes of the N cycle that mediate forest biogeochemical functions, and b) understand how these processes and associated biogeochemical functions change during forest succession. We hypothesized that a sudden decline in plant N uptake during the mortality event that accelerated ongoing succession would significantly increase NH4+ availability, prompting fundamental changes to the N cycle including the initiation of significant nitrification and increased exports of NO3- derived compounds in gas phase and soil solution. We found that in surface soils (top 20 cm), levels of seasonally integrated, ion-exchange NH4+ and NO3- availability increased with decreasing fine root biomass (regression, P<0.01), and the availability of these two inorganic N forms was positively and nonlinearly related (regression, P<0.0001). Correlations between NH4+ and NO3- availability, nitrification rates, and NH4+ and NO3- transport in soil solution indicated distinct but dependent cycling pathways and controls on the vertical redistribution of these ions. Increasing hydrologic NO3- fluxes downwards out of the surface soil significantly increased rates of denitrification (N2O efflux), which also varied with

  8. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

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

  9. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Thirteen ideas are presented that may be of use to chemistry teachers. Topics covered include vitamin C, industrial chemistry, electrical conductivity, electrolysis, alkali metals, vibration modes infra-red, dynamic equilibrium, and some new demonstrations in gaseous combinations. (PS)

  10. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes experiments, demonstrations, activities and ideas relating to various fields of chemistry to be used in chemistry courses of secondary schools. Three experiments concerning differential thermal analysis are among these notes presented. (HM)

  11. 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)

  12. Colour Chemistry

    ERIC Educational Resources Information Center

    Griffiths, J.; Rattee, I. D.

    1973-01-01

    Discusses the course offerings in pure color chemistry at two universities and the three main aspects of study: dyestuff chemistry, color measurement, and color application. Indicates that there exists a constant challenge to ingenuity in the subject discipline. (CC)

  13. Mechanics and thermal management of stretchable inorganic electronics

    PubMed Central

    Song, Jizhou; Feng, Xue; Huang, Yonggang

    2016-01-01

    Stretchable electronics enables lots of novel applications ranging from wearable electronics, curvilinear electronics to bio-integrated therapeutic devices that are not possible through conventional electronics that is rigid and flat in nature. One effective strategy to realize stretchable electronics exploits the design of inorganic semiconductor material in a stretchable format on an elastomeric substrate. In this review, we summarize the advances in mechanics and thermal management of stretchable electronics based on inorganic semiconductor materials. The mechanics and thermal models are very helpful in understanding the underlying physics associated with these systems, and they also provide design guidelines for the development of stretchable inorganic electronics. PMID:27547485

  14. Analysis of inorganic species in environmental samples by capillary electrophoresis.

    PubMed

    Valsecchi, S M; Polesello, S

    1999-02-26

    The use of capillary electrophoresis for the determination of inorganic species in environmental samples is reviewed. Topics covered include the separation of inorganic anions, inorganic cations, transition metal cations and organometals in different environmental matrices, such as atmospheric deposition, atmospheric aerosols, gases, natural waters, waste waters, soil, sediment and marine biological samples. Cited literature is gathered according to the type of matrix, so that the focus is on the discussion of matrix effects rather than on the method development for a single class of compounds. For each matrix, surveyed methods are tabulated in order to assist the method selection. Innovative applications of capillary electrophoresis to advanced environmental research are also emphasised.

  15. 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…

  16. Fuel cell chemistry and operation

    NASA Astrophysics Data System (ADS)

    Hamrock, Steven J.; Herring, Andrew M.; Zawodzinski, Thomas A.

    The annual fall symposium on Fuel Cell Chemistry and Operation was held at the 232nd National Meeting of the American Chemical Society in San Francisco, CA on September 11-14, 2006. Similar symposia sponsored by the Fuel Division have been held every fall since 1999. Significantly, this symposium was part of an ACS Presidential Event on Hydrogen, and was sponsored by a number of other ACS divisions including, Polymer, Polymeric Materials: Science and Engineering, Petroleum, Industrial and Engineering Chemistry, and the Inorganic divisions. Additional support was provided by the Petroleum Research Fund and the 3M Fuel Cell Components Group.

  17. Inorganic Graphene Analogs

    NASA Astrophysics Data System (ADS)

    Rao, C. N. R.; Maitra, Urmimala

    2015-07-01

    In the last four to five years, there has been a great resurgence of research on two-dimensional inorganic materials, partly because of the impetus received from graphene research. Unlike graphene, which is a gap-less material, most inorganic layered materials are semiconductors or insulators. Some of them, as exemplified by MoS2, exhibit unexpected properties, not unlike graphene, with possible applications. Thus, layered metal chalcogenides are being explored intensely, and MoS2 is emerging as a wonder material. In this article, we present the synthesis and properties of nanosheets composing single or few layers of these fascinating materials. Besides metal chalcogenides, boron nitride, borocarbonitrides (BxCyNz), metal oxides, and metal-organic frameworks are also discussed.

  18. Supported inorganic membranes

    DOEpatents

    Sehgal, Rakesh; Brinker, Charles Jeffrey

    1998-01-01

    Supported inorganic membranes capable of molecular sieving, and methods for their production, are provided. The subject membranes exhibit high flux and high selectivity. The subject membranes are substantially defect free and less than about 100 nm thick. The pores of the subject membranes have an average critical pore radius of less than about 5 .ANG., and have a narrow pore size distribution. The subject membranes are prepared by coating a porous substrate with a polymeric sol, preferably under conditions of low relative pressure of the liquid constituents of the sol. The coated substrate is dried and calcined to produce the subject supported membrane. Also provided are methods of derivatizing the surface of supported inorganic membranes with metal alkoxides. The subject membranes find use in a variety of applications, such as the separation of constituents of gaseous streams, as catalysts and catalyst supports, and the like.

  19. The Chemistry of Health.

    ERIC Educational Resources Information Center

    National Inst. of General Medical Sciences (NIH), Bethesda, MD.

    This booklet, geared toward an advanced high school or early college-level audience, describes how basic chemistry and biochemistry research can spur a better understanding of human health. It reveals how networks of chemical reactions keep our bodies running smoothly. Some of the tools and technologies used to explore these reactions are…

  20. Bringing chemistry to life

    PubMed Central

    Boyce, Michael; Bertozzi, Carolyn R

    2011-01-01

    Bioorthogonal chemistry allows a wide variety of biomolecules to be specifically labeled and probed in living cells and whole organisms. Here we discuss the history of bioorthogonal reactions and some of the most interesting and important advances in the field. PMID:21799498

  1. 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.

  2. Organic materials as templates for the formation of mesoporous inorganic materials and ordered inorganic nanocomposites

    NASA Astrophysics Data System (ADS)

    Ziegler, Christopher R.

    Hierarchically structured inorganic materials are everywhere in nature. From unicellular aquatic algae such as diatoms to the bones and/or cartilage that comprise the skeletal systems of vertebrates. Complex mechanisms involving site-specific chemistries and precision kinetics are responsible for the formation of such structures. In the synthetic realm, reproduction of even the most basic hierarchical structure effortlessly produced in nature is difficult. However, through the utilization of self-assembling structures or "templates", such as polymers or amphiphilic surfactants, combined with some favorable interaction between a chosen inorganic, the potential exists to imprint an inorganic material with a morphology dictated via synthetic molecular self-assembly. In doing so, a very basic hierarchical structure is formed on the angstrom and nanometer scales. The work presented herein utilizes the self-assembly of either surfactants or block copolymers with the desired inorganic or inorganic precursor to form templated inorganic structures. Specifically, mesoporous silica spheres and copolymer directed calcium phosphate-polymer composites were formed through the co-assembly of an organic template and a precursor to form the desired mesostructured inorganic. For the case of the mesoporous silica spheres, a silica precursor was mixed with cetyltrimethylammonium bromide and cysteamine, a highly effective biomimetic catalyst for the conversion of alkoxysilanes to silica. Through charge-based interactions between anionic silica species and the micelle-forming cationic surfactant, ordered silica structures resulted. The incorporation of a novel, effective catalyst was found to form highly condensed silica spheres for potential application as catalyst supports or an encapsulation media. Ordered calcium phosphate-polymer composites were formed using two routes. Both routes take advantage of hydrogen bonding and ionic interactions between the calcium and phosphate precursors

  3. Mineral Process Chemistry: A Special Study.

    ERIC Educational Resources Information Center

    Dudeney, A. W. L.

    1982-01-01

    Mineral Process Chemistry is one of the special study options of the Nuffield Advanced Science course in chemistry. Following general comments on mineral process chemistry, the subject matter of the option is described, focusing on copper and china clay. (Author/JN)

  4. Upconverting nanoparticles for the near infrared photoactivation of transition metal complexes: new opportunities and challenges in medicinal inorganic photochemistry.

    PubMed

    Ruggiero, Emmanuel; Alonso-de Castro, Silvia; Habtemariam, Abraha; Salassa, Luca

    2016-08-16

    The article highlights the emergent use of upconverting nanoparticles as tools for the near infrared photoactivation of transition metal complexes, identifying opportunities and challenges of this approach in the context of medicinal inorganic chemistry. PMID:27482656

  5. Inorganic: the other mercury.

    PubMed

    Risher, John F; De Rosa, Christopher T

    2007-11-01

    There is a broad array of mercury species to which humans may be exposed. While exposure to methylmercury through fish consumption is widely recognized, the public is less aware of the sources and potential toxicity of inorganic forms of mercury. Some oral and laboratory thermometers, barometers, small batteries, thermostats, gas pressure regulators, light switches, dental amalgam fillings, cosmetic products, medications, cultural/religious practices, and gold mining all represent potential sources of exposure to inorganic forms of mercury. The route of exposure, the extent of absorption, the pharmacokinetics, and the effects all vary with the specific form of mercury and the magnitude and duration of exposure. If exposure is suspected, a number of tissue analyses can be conducted to confirm exposure or to determine whether an exposure might reasonably be expected to be biologically significant. By contrast with determination of exposure to methylmercury, for which hair and blood are credible indicators, urine is the preferred biological medium for the determination of exposure to inorganic mercury, including elemental mercury, with blood normally being of value only if exposure is ongoing. Although treatments are available to help rid the body of mercury in cases of extreme exposure, prevention of exposure will make such treatments unnecessary. Knowing the sources of mercury and avoiding unnecessary exposure are the prudent ways of preventing mercury intoxication. When exposure occurs, it should be kept in mind that not all unwanted exposures will result in adverse health consequences. In all cases, elimination of the source of exposure should be the first priority of public health officials.

  6. Inorganic: the other mercury.

    PubMed

    Risher, John F; De Rosa, Christopher T

    2007-11-01

    There is a broad array of mercury species to which humans may be exposed. While exposure to methylmercury through fish consumption is widely recognized, the public is less aware of the sources and potential toxicity of inorganic forms of mercury. Some oral and laboratory thermometers, barometers, small batteries, thermostats, gas pressure regulators, light switches, dental amalgam fillings, cosmetic products, medications, cultural/religious practices, and gold mining all represent potential sources of exposure to inorganic forms of mercury. The route of exposure, the extent of absorption, the pharmacokinetics, and the effects all vary with the specific form of mercury and the magnitude and duration of exposure. If exposure is suspected, a number of tissue analyses can be conducted to confirm exposure or to determine whether an exposure might reasonably be expected to be biologically significant. By contrast with determination of exposure to methylmercury, for which hair and blood are credible indicators, urine is the preferred biological medium for the determination of exposure to inorganic mercury, including elemental mercury, with blood normally being of value only if exposure is ongoing. Although treatments are available to help rid the body of mercury in cases of extreme exposure, prevention of exposure will make such treatments unnecessary. Knowing the sources of mercury and avoiding unnecessary exposure are the prudent ways of preventing mercury intoxication. When exposure occurs, it should be kept in mind that not all unwanted exposures will result in adverse health consequences. In all cases, elimination of the source of exposure should be the first priority of public health officials. PMID:18044248

  7. Recent advances in structure and reactivity of dissolved organic matter: radiation chemistry of non-isolated natural organic matter and selected model compounds.

    PubMed

    Ayatollahi, Shakiba; Kalnina, Daina; Song, Weihua; Cottrell, Barbara A; Gonsior, Michael; Cooper, William J

    2012-01-01

    The importance of natural organic matter (NOM) as a source of carbon in natural waters, as the source of reactive oxygen species, or for the complications its presence causes in treatment of natural waters, is undeniable. Recent studies have also pointed to the major photochemical role of triplet excited state of natural organic matter in the environmental fate of pharmaceutical and personal care products (PPCPs) in waters. However, the characterization of NOM is problematic due to its complex molecular structure. One approach to better understand NOM chemistry is the use of model compounds. As the condensation of a plant's phenolic compounds leads to humification and the formation of NOM, a structurally broad group of nine phenolic compounds were selected as model compounds for this study. With methods used in the discipline of radiation chemistry, the oxidative chemistry and transient spectra of these phenols were studied. In addition, the oxidative chemistry and transient spectra of a sample of NOM from the Black River, North Carolina, USA, was characterized. This natural water sample was used as received and represents the first studies of non-isolated NOM by pulsed radiolysis. The results of the transient spectra of the NOM revealed that the radical intermediates were very long lived. This phenomenon was not captured using the nine model compounds suggesting that more complex compounds are needed to further our understanding of the oxidation chemistry of NOM.

  8. Great expectations: using an analysis of current practices to propose a framework for the undergraduate inorganic curriculum.

    PubMed

    Reisner, Barbara A; Smith, Sheila R; Stewart, Joanne L; Raker, Jeffrey R; Crane, Johanna L; Sobel, Sabrina G; Pesterfield, Lester L

    2015-09-21

    The undergraduate inorganic chemistry curriculum in the United States mirrors the broad diversity of the inorganic research community and poses a challenge for the development of a coherent curriculum that is thorough, rigorous, and engaging. A recent large survey of the inorganic community has provided information about the current organization and content of the inorganic curriculum from an institutional level. The data reveal shared "core" concepts that are broadly taught, with tremendous variation in content coverage beyond these central ideas. The data provide an opportunity for a community-driven discussion about how the American Chemical Society's Committee on Professional Training's vision of a foundation and in-depth course for each of the five subdisciplines maps onto an inorganic chemistry curriculum that is consistent in its coverage of the core inorganic concepts, yet reflects the diversity and creativity of the inorganic community. The goal of this Viewpoint is to present the current state of the diverse undergraduate curriculum and lay a framework for an effective and engaging curriculum that illustrates the essential role inorganic chemistry plays within the chemistry community.

  9. A Laboratory Exercise to Introduce Inorganic Biomimetic Compounds.

    ERIC Educational Resources Information Center

    Baird, Donald M.

    1985-01-01

    Biomimetic chemistry is concerned with the synthesis of small, molecular weight molecules which mimic the properties of metal-containing sites within certain biologically significant species. A series of experiments for an advanced undergraduate laboratory is described as a way to introduce this area into the chemistry curriculum. (JN)

  10. Molecular Modeling and Computational Chemistry at Humboldt State University.

    ERIC Educational Resources Information Center

    Paselk, Richard A.; Zoellner, Robert W.

    2002-01-01

    Describes a molecular modeling and computational chemistry (MM&CC) facility for undergraduate instruction and research at Humboldt State University. This facility complex allows the introduction of MM&CC throughout the chemistry curriculum with tailored experiments in general, organic, and inorganic courses as well as a new molecular modeling…

  11. Survey of application of radiation to preparative chemistry

    NASA Technical Reports Server (NTRS)

    Philipp, W. H.

    1973-01-01

    The use of radiation for preparative chemistry in liquid solutions is investigated. General principles are presented and preparations involving reduction, oxidation, polymerization, and decomposition are given. The use of various solvents, water, other inorganic liquids and organic liquids for this purpose is discussed. Finally, a commentary is made on some specific applications where radiation chemistry as a preparative technique may be useful.

  12. Throwing the Book at Elementary Chemistry.

    ERIC Educational Resources Information Center

    Pauling, Linus

    1983-01-01

    Several examples of misinformation and advanced topics included in current chemistry textbooks are provided. Suggests that since these books tend to be too long, too advanced, and too heavy, revisions should be shorter and less costly, with confusing aspects of chemistry (such as molecular-orbital theory) left out completely. (JN)

  13. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Twelve new chemistry expermiments are described. Broad areas covered include atomic structure, solubility, gaseous diffusion, endothermic reactions, alcohols, equilibrium, atomic volumes, and some improvised apparatus. (PS)

  14. Inorganic Crystal Structure Database (ICSD)

    National Institute of Standards and Technology Data Gateway

    SRD 84 FIZ/NIST Inorganic Crystal Structure Database (ICSD) (PC database for purchase)   The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe(FIZ) and the National Institute of Standards and Technology (NIST). The ICSD is a comprehensive collection of crystal structure data of inorganic compounds containing more than 140,000 entries and covering the literature from 1915 to the present.

  15. Decadal simulation and comprehensive evaluation of CESM/CAM5.1 with advanced chemistry, aerosol microphysics, and aerosol-cloud interactions

    NASA Astrophysics Data System (ADS)

    He, Jian; Zhang, Yang; Glotfelty, Tim; He, Ruoying; Bennartz, Ralf; Rausch, John; Sartelet, Karine

    2015-03-01

    Earth system models have been used for climate predictions in recent years due to their capabilities to include biogeochemical cycles, human impacts, as well as coupled and interactive representations of Earth system components (e.g., atmosphere, ocean, land, and sea ice). In this work, the Community Earth System Model (CESM) with advanced chemistry and aerosol treatments, referred to as CESM-NCSU, is applied for decadal (2001-2010) global climate predictions. A comprehensive evaluation is performed focusing on the atmospheric component—the Community Atmosphere Model version 5.1 (CAM5.1) by comparing simulation results with observations/reanalysis data and CESM ensemble simulations from the Coupled Model Intercomparison Project phase 5 (CMIP5). The improved model can predict most meteorological and radiative variables relatively well with normalized mean biases (NMBs) of -14.1 to -9.7% and 0.7-10.8%, respectively, although temperature at 2 m (T2) is slightly underpredicted. Cloud variables such as cloud fraction (CF) and precipitating water vapor (PWV) are well predicted, with NMBs of -10.5 to 0.4%, whereas cloud condensation nuclei (CCN), cloud liquid water path (LWP), and cloud optical thickness (COT) are moderately-to-largely underpredicted, with NMBs of -82.2 to -31.2%, and cloud droplet number concentration (CDNC) is overpredictd by 26.7%. These biases indicate the limitations and uncertainties associated with cloud microphysics (e.g., resolved clouds and subgrid-scale cumulus clouds). Chemical concentrations over the continental U.S. (CONUS) (e.g., SO42-, Cl-, OC, and PM2.5) are reasonably well predicted with NMBs of -12.8 to -1.18%. Concentrations of SO2, SO42-, and PM10 are also reasonably well predicted over Europe with NMBs of -20.8 to -5.2%, so are predictions of SO2 concentrations over the East Asia with an NMB of -18.2%, and the tropospheric ozone residual (TOR) over the globe with an NMB of -3.5%. Most meteorological and radiative variables

  16. Synthesis of a Self-Healing Polymer Based on Reversible Diels-Alder Reaction: An Advanced Undergraduate Laboratory at the Interface of Organic Chemistry and Materials Science

    ERIC Educational Resources Information Center

    Weizman, Haim; Nielsen, Christian; Weizman, Or S.; Nemat-Nasser, Sia

    2011-01-01

    This laboratory experiment exposes students to the chemistry of self-healing polymers based on a Diels-Alder reaction. Students accomplish a multistep synthesis of a monomer building block and then polymerize it to form a cross-linked polymer. The healing capability of the polymer is verified by differential scanning calorimetry (DSC) experiments.…

  17. Ultrathin two-dimensional inorganic materials: new opportunities for solid state nanochemistry.

    PubMed

    Sun, Yongfu; Gao, Shan; Lei, Fengcai; Xiao, Chong; Xie, Yi

    2015-01-20

    CONSPECTUS: The ultimate goal of solid state chemistry is to gain a clear correlation between atomic, defect, and electronic structure and intrinsic properties of solid state materials. Solid materials can generally be classified as amorphous, quasicrystalline, and crystalline based on their atomic arrangement, in which crystalline materials can be further divided into single crystals, microcrystals, and nanocrystals. Conventional solid state chemistry mainly focuses on studying single crystals and microcrystals, while recently nanocrystals have become a hot research topic in the field of solid state chemistry. As more and more nanocrystalline materials have been artificially fabricated, the solid state chemistry for studying those nanosolids has become a new subdiscipline: solid state nanochemistry. However, solid state nanochemistry, usually called "nanochemistry" for short, primarily studies the microstructures and macroscopic properties of a nanomaterial's aggregation states. Due to abundant microstructures in the aggregation states, it is only possible to build a simple but imprecise correlation between the microscopic morphology and the macroscopic properties of the nanostructures. Notably, atomically thin two-dimensional inorganic materials provide an ideal platform to establish clear structure-property relationships in the field of solid state nanochemistry, thanks to their homogeneous dispersion without the assistance of a capping ligand. In addition, their atomic structures including coordination number, bond length, and disorder degree of the examined atoms can be clearly disclosed by X-ray absorption fine structure spectroscopy. Also, their more exposed interior atoms would inevitably induce the formation of various defects, which would have a non-negligible effect on their physicochemical properties. Based on the obtained atomic and defect structural characteristics, density-functional calculations are performed to study their electronic structures

  18. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Outlines laboratory procedures, demonstrations, teaching suggestions, and content information related to chemistry. Topics include polarizing power; calorimetry and momentum; microcomputers in school chemistry; a constant-volume dispenser for liquids, floating magnets, and crystal lattices; preparation of chromium; and solvent polarity and…

  19. Physical chemistry and the environment

    SciTech Connect

    Dunning, T.H. Jr.; Garrett, B.C.; Kolb, C.E. Jr.; Shaw, R.W.; Choppin, G.R.; Wagner, A.F.

    1994-08-01

    From the ozone hole and the greenhouse effect to plastics recycling and hazardous waste disposal, society faces a number of issues, the solutions to which require an unprecedented understanding of the properties of molecules. We are coming to realize that the environment is a coupled set of chemical systems, its dynamics determining the welfare of the biosphere and of humans in particular. These chemical systems are governed by fundamental molecular interactions, and they present chemists with an unparalleled challenge. The application of current concepts of molecular behavior and of up-to-date experimental and computational techniques can provide us with insights into the environment that are needed to mitigate past damage, to anticipate the impact of current human activity, and to avoid future insults to the environment. Environmental chemistry encompasses a number of separate, yet interlocking, areas of research. In all of these areas progress is limited by an inadequate understanding of the underlying chemical processes involved. Participation of all chemical approaches -- experimental, theoretical and computational -- and of all disciplines of chemistry -- organic, inorganic, physical, analytical and biochemistry -- will be required to provide the necessary fundamental understanding. The Symposium on ``Physical Chemistry and the Environment`` was designed to bring the many exciting and challenging physical chemistry problems involved in environmental chemistry to the attention of a larger segment of the physical chemistry community.

  20. IR laser chemistry

    NASA Astrophysics Data System (ADS)

    Quack, Martin

    1995-01-01

    Recent progress in IR laser chemistry is reviewed with stress on the conceptual background and experimental advances from our research group. In particular we discuss various experimental schemes in laser chemistry as related to thermal reactions and ordinary photochemistry, and new results in time and frequency resolved kinetic IR spectroscopy at the limit defined by the uncertainty relation. The recent detection of hyperfine effects in IR laser chemistry is reviewed as well as nonlinear intensity dependence over many orders of magnitude including observations of nonlinear intensity fall-off and IR laser ionization of molecules. An outlook is presented on different time scales for intramolecular processes and the resulting future possibilities of IR laser chemical reaction control.

  1. First-Year Chemistry in the Context of the Periodic Table.

    ERIC Educational Resources Information Center

    Woodgate, Sheila D.

    1995-01-01

    Describes the methods that have been developed to blend descriptive chemistry and principles in a first-year chemistry course. The key is active teaching of the subject using the periodic table as a template. Inorganic chemistry is taught using a group approach: developing trends that help teaching and learning become obvious if all elements of…

  2. Inorganic polymer engineering materials

    SciTech Connect

    Stone, M.L.

    1993-06-01

    Phosphazene-based, inorganic-polymer composites have been produced and evaluated as potential engineering materials. The thermal, chemical, and mechanical properties of several different composites made from one polymer formulation have been measured. Measured properties are very good, and the composites show excellent promise for structural applications in harsh environments. Chopped fiberglass, mineral, cellulose, and woodflour filled composites were tested. Chopped fiberglass filled composites showed the best overall properties. The phosphazene composites are very hard and rigid. They have low dielectric constants and typical linear thermal expansion coefficients for polymers. In most cases, the phosphazene materials performed as well or better than analogous, commercially available, filled phenolic composites. After 3 to 5 weeks of exposure, both the phosphazene and phenolics were degraded to aqueous bases and acids. The glass filled phosphazene samples were least affected.

  3. Development and implementation of an empirical frequency map for use in MD simulations of isotope-edited proteins, and, Development, implementation, and evaluation of an online student portal as a textbook replacement in an advanced general chemistry course

    NASA Astrophysics Data System (ADS)

    Shorb, Justin Matthew

    The first portion of this thesis describes an extension of work done in the Skinner group to develop an empirical frequency map for N-methylacetamide (NMA) in water. NMA is a peptide bond capped on either side by a methyl group and is therefore a common prototypical molecule used when studying complicated polypeptides and proteins. This amide bond is present along the backbone of every protein as it connects individual component amino acids. This amide bond also has a strong observable frequency in the IR due to the Amide-I mode (predominantly carbon-oxygen stretching motion). This project describes the simplification of the prior model for mapping the frequency of the Amide-I mode from the electric field due to the environment and develops a parallel implementation of this algorithm for use in larger biological systems, such as the trans-membrane portion of the tetrameric polypeptide bundle protein CD3zeta. The second portion of this thesis describes the development, implementation and evaluation of an online textbook within the context of a cohesive theoretical framework. The project begins by describing what is meant when discussing a digital textbook, including a survey of various types of digital media being used to deliver textbook-like content. This leads into the development of a theoretical framework based on constructivist pedagogical theory, hypertext learning theory, and chemistry visualization and representation frameworks. The implementation and design of ChemPaths, the general chemistry online text developed within the Chemistry Education Digital Library (ChemEd DL) is then described. The effectiveness of ChemPaths being used as a textbook replacement in an advanced general chemistry course is evaluated within the developed theoretical framework both qualitatively and quantitatively.

  4. PATHWAY OF INORGANIC ARSENIC METABOLISM

    EPA Science Inventory

    A remarkable aspect of the metabolism of inorganic arsenic in humans is its conversion to methylated metabolites. These metabolites account for most of the arsenic found in urine after exposure to inorganic arsenic. At least some of the adverse health effects attributed to inor...

  5. Inorganic nanoparticles engineered to attack bacteria.

    PubMed

    Miller, Kristen P; Wang, Lei; Benicewicz, Brian C; Decho, Alan W

    2015-11-01

    Antibiotics were once the golden bullet to constrain infectious bacteria. However, the rapid and continuing emergence of antibiotic resistance (AR) among infectious microbial pathogens has questioned the future utility of antibiotics. This dilemma has recently fueled the marriage of the disparate fields of nanochemistry and antibiotics. Nanoparticles and other types of nanomaterials have been extensively developed for drug delivery to eukaryotic cells. However, bacteria have very different cellular architectures than eukaryotic cells. This review addresses the chemistry of nanoparticle-based antibiotic carriers, and how their technical capabilities are now being re-engineered to attack, kill, but also non-lethally manipulate the physiologies of bacteria. This review also discusses the surface functionalization of inorganic nanoparticles with small ligand molecules, polymers, and charged moieties to achieve drug loading and controllable release.

  6. Inorganic chemistry of O2 in a dense primitive atmosphere

    PubMed

    Rosenqvist, J; Chassefière, E

    1995-01-01

    A simple steady-state photochemical model is developed in order to determine typical molecular oxygen concentrations for a comprehensive range of primitive abiotic atmospheres. Carbon dioxide is assumed to be the dominant constituent in these atmospheres since CO2 photodissociation may potentially result in the enhancement of the O2 partial pressure. The respective effects of the H2O content, temperature, eddy diffusion coefficient and UV flux on the results are investigated. It is shown that for any pressure at the surface, the partial pressure of molecular oxygen does not exceed 10 mbar. The peculiar case of a runaway greenhouse which has possibly taken place on Venus is qualitatively envisaged. Although O2 is basically absent in the present Venus atmosphere, a transient presence in a primitive stage cannot be ruled out. Possible mechanisms for O2 removal in such an atmosphere are reviewed. At the present stage, we think that the detection of large O2 amounts would be at least a good clue for the presence of life on an extrasolar planet.

  7. Mathematical modeling of physical processes in inorganic chemistry

    SciTech Connect

    Chiu, H.L.

    1988-01-01

    The first part deals with the rapid calculation of steady-state concentration profiles in contactors using the Purex Process. Most of the computer codes simulating the reprocessing of spent nuclear fuel generate the steady-state properties by calculating the transient behavior of the contactors. In this study, the author simulates the steady-state concentration profiles directly without first generating the transient behavior. Two computer codes are developed, PUMA (Plutonium-Uranium-Matrix-Algorithm) and PUNE (Plutonium-Uranium-Non-Equilibrium). The first one simulates the steady-state concentration profiles under conditions of equilibrium mass transfer. The second one accounts for deviations from mass transfer equilibrium. The second part of this dissertation shows how to use the classical trajectory method to study the equilibrium and saddle-point geometries of MX{sub n} (n = 2-7) molecules. Two nuclear potential functions that have the property of invariance to the operations of the permutation group of nuclei in molecules of the general formula MX{sub n} are described. Such potential functions allow equivalent isomers to have equal energies so that various statistical mechanical properties can be simply determined. The first function contains two center interactions between pairs of peripheral atoms and its defined by V(r) = 1/2{Sigma}{sub {alpha}}k{triangle}r{sub {alpha}{mu}}{sup 2} + {Sigma}{sub {alpha}< {beta}} QR{sub {alpha}{beta}}{sup {minus}n} (n = 1,2...). The second function contains two and three center interactions and is defined by V({Theta}) = 1/2{Sigma}{sub {alpha}}K{triangle}{sub {alpha}{mu}}{sup 2} + 1/2{Sigma}{sub {alpha}<{beta}}Qr{sub 0}{sup 2} ({Theta}{sub {alpha}{mu}{beta}} - {pi}){sup 2}.

  8. Inorganic chemistry of O2 in a dense primitive atmosphere

    PubMed

    Rosenqvist, J; Chassefière, E

    1995-01-01

    A simple steady-state photochemical model is developed in order to determine typical molecular oxygen concentrations for a comprehensive range of primitive abiotic atmospheres. Carbon dioxide is assumed to be the dominant constituent in these atmospheres since CO2 photodissociation may potentially result in the enhancement of the O2 partial pressure. The respective effects of the H2O content, temperature, eddy diffusion coefficient and UV flux on the results are investigated. It is shown that for any pressure at the surface, the partial pressure of molecular oxygen does not exceed 10 mbar. The peculiar case of a runaway greenhouse which has possibly taken place on Venus is qualitatively envisaged. Although O2 is basically absent in the present Venus atmosphere, a transient presence in a primitive stage cannot be ruled out. Possible mechanisms for O2 removal in such an atmosphere are reviewed. At the present stage, we think that the detection of large O2 amounts would be at least a good clue for the presence of life on an extrasolar planet. PMID:11538435

  9. Some recent advances in the design and the use of miniaturized droplet-based continuous process: applications in chemistry and high-pressure microflows.

    PubMed

    Lorber, Nicolas; Sarrazin, Flavie; Guillot, Pierre; Panizza, Pascal; Colin, Annie; Pavageau, Bertrand; Hany, Cindy; Maestro, Patrick; Marre, Samuel; Delclos, Thomas; Aymonier, Cyril; Subra, Pascale; Prat, Laurent; Gourdon, Christophe; Mignard, Emmanuel

    2011-03-01

    This mini-review focuses on two different miniaturizing approaches: the first one describes the generation and use of droplets flowing within a millifluidic tool as individual batch microreactors. The second one reports the use of high pressure microflows in chemistry. Millifluidics is an inexpensive, versatile and easy to use approach which is upscaled from microfluidics. It enables one to produce hierarchically organized multiple emulsions or particles with a good control over sizes and shapes, as well as to provide a convenient data acquisition platform dedicated to slow or rather fast chemical reactions, i.e., from hours to a few minutes. High-pressure resistant devices were recently fabricated and used to generate stable droplets from pressurized fluids such as supercritical fluid-liquid systems. We believe that supercritical microfluidics is a promising tool to develop sustainable processes in chemistry.

  10. Characterisation of liver chemistry abnormalities associated with pazopanib monotherapy: a systematic review and meta-analysis of clinical trials in advanced cancer patients.

    PubMed

    Powles, Thomas; Bracarda, Sergio; Chen, Mei; Norry, Elliot; Compton, Natalie; Heise, Mark; Hutson, Thomas; Harter, Philipp; Carpenter, Christopher; Pandite, Lini; Kaplowitz, Neil

    2015-07-01

    Drug-induced liver chemistry abnormalities, primarily transaminase elevations, are commonly observed in pazopanib-treated patients. This meta-analysis characterises liver chemistry abnormalities associated with pazopanib. Data of pazopanib-treated patients from nine prospective trials were integrated (N=2080). Laboratory datasets were used to characterise the incidence, timing, recovery and patterns of liver events, and subsequent rechallenge with pazopanib. Severe cases of liver chemistry abnormalities were clinically reviewed. Multivariate analyses identified predisposing factors. Twenty percent of patients developed elevated alanine aminotransferase (ALT) >3×ULN. Incidence of peak ALT >3-5×ULN, >5-8×ULN, >8-20×ULN and >20×ULN was 8%, 5%, 5% and 1%, respectively. Median time to onset for all events was 42days; 91% of events were observed within 18weeks. Recovery rates based on peak ALT >3-5×ULN, >5-8×ULN, >8-20×ULN and >20×ULN were 91%, 90%, 90% and 64%, respectively. Median time from onset to recovery was 30days, but longer in patients without dose interruption. Based on clinical review, no deaths were associated with drug-induced liver injury. Overall, 38% of rechallenged patients had ALT elevation recurrence, with 9-day median time to recurrence. Multivariate analysis showed that older age was associated with development of ALT >8×ULN. There was no correlation between hypertension and transaminitis. Our data support the current guidelines on regular liver chemistry tests after initiation of pazopanib, especially during the first 9 or 10weeks, and also demonstrate the safety of rechallenge with pazopanib.

  11. Circumstellar chemistry

    NASA Technical Reports Server (NTRS)

    Glassgold, Alfred E.; Huggins, Patrick J.

    1987-01-01

    The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant. A summary of observations and a discussion of theoretical considerations concerning the chemistry are summarized. Recent theoretical considerations show that the thermal equilibrium model is of limited use for understanding the chemistry of the outer CS envelopes. The theoretical modeling of the chemistry of CS envelopes provides a quantitive test of chemical concepts which have a broader interest than the envelopes themselves.

  12. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1979

    1979-01-01

    Included is information regarding: sucrose dehydration by sulphuric acid; an example of school-industry link in studying zinc oxide production; viscous flow in inorganic silicate glass; construction of a peristaltic pump; electrolysis; carbon dioxide preparation; electrophoresis; safety in using hydrogen and sulphuric acid; and approaches to…

  13. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1973

    1973-01-01

    Several ideas are proposed for chemistry teachers to try in their classrooms. Subjects included are polymerization of acrylate, polymerization of styrene, conductivity, pollution, preparation of chlorine, redox equations, chemiluminescence, and molecular sieves. (PS)

  14. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Describes 13 activities, experiments and demonstrations, including the preparation of iron (III) chloride, simple alpha-helix model, investigating camping gas, redox reactions of some organic compounds, a liquid crystal thermometer, and the oxidation number concept in organic chemistry. (JN)

  15. Nuclear Chemistry.

    ERIC Educational Resources Information Center

    Chemical and Engineering News, 1979

    1979-01-01

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

  16. Precolumbian Chemistry.

    ERIC Educational Resources Information Center

    Robinson, Janet Bond

    1995-01-01

    Describes the content and development of a curriculum that provides an approach to descriptive chemistry and the history of technology through consideration of the pottery, metallurgy, pigments, dyes, agriculture, and medicine of pre-Columbian people. (DDR)

  17. Catalytic Chemistry.

    ERIC Educational Resources Information Center

    Borer, Londa; And Others

    1996-01-01

    Describes an approach for making chemistry relevant to everyday life. Involves the study of kinetics using the decomposition of hydrogen peroxide by vegetable juices. Allows students to design and carry out experiments and then draw conclusions from their results. (JRH)

  18. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1980

    1980-01-01

    Describes equipment, activities, and experiments useful in chemistry instruction, including among others, a rapid method to determine available chlorine in bleach, simple flame testing apparatus, and a simple apparatus demonstrating the technique of flash photolysis. (SK)

  19. Fluorescence microscopy as an alternative to electron microscopy for microscale dispersion evaluation of organic–inorganic composites

    PubMed Central

    Guan, Weijiang; Wang, Si; Lu, Chao; Tang, Ben Zhong

    2016-01-01

    Inorganic dispersion is of great importance for actual implementation of advanced properties of organic–inorganic composites. Currently, electron microscopy is the most conventional approach for observing dispersion of inorganic fillers from ultrathin sections of organic–inorganic composites at the nanoscale by professional technicians. However, direct visualization of macrodispersion of inorganic fillers in organic–inorganic composites using high-contrast fluorescent imaging method is hampered. Here we design and synthesize a unique fluorescent surfactant, which combines the properties of the aggregation-induced emission (AIE) and amphiphilicity, to image macrodispersion of montmorillonite and layered double hydroxide fillers in polymer matrix. The proposed fluorescence imaging provides a number of important advantages over electron microscope imaging, and opens a new avenue in the development of direct three-dimensional observation of inorganic filler macrodispersion in organic–inorganic composites. PMID:27251015

  20. Fluorescence microscopy as an alternative to electron microscopy for microscale dispersion evaluation of organic-inorganic composites.

    PubMed

    Guan, Weijiang; Wang, Si; Lu, Chao; Tang, Ben Zhong

    2016-01-01

    Inorganic dispersion is of great importance for actual implementation of advanced properties of organic-inorganic composites. Currently, electron microscopy is the most conventional approach for observing dispersion of inorganic fillers from ultrathin sections of organic-inorganic composites at the nanoscale by professional technicians. However, direct visualization of macrodispersion of inorganic fillers in organic-inorganic composites using high-contrast fluorescent imaging method is hampered. Here we design and synthesize a unique fluorescent surfactant, which combines the properties of the aggregation-induced emission (AIE) and amphiphilicity, to image macrodispersion of montmorillonite and layered double hydroxide fillers in polymer matrix. The proposed fluorescence imaging provides a number of important advantages over electron microscope imaging, and opens a new avenue in the development of direct three-dimensional observation of inorganic filler macrodispersion in organic-inorganic composites. PMID:27251015

  1. Selective inorganic thin films

    SciTech Connect

    Phillips, M.L.F.; Pohl, P.I.; Brinker, C.J.

    1997-04-01

    Separating light gases using membranes is a technology area for which there exists opportunities for significant energy savings. Examples of industrial needs for gas separation include hydrogen recovery, natural gas purification, and dehydration. A membrane capable of separating H{sub 2} from other gases at high temperatures could recover hydrogen from refinery waste streams, and facilitate catalytic dehydrogenation and the water gas shift (CO + H{sub 2}O {yields} H{sub 2} + CO{sub 2}) reaction. Natural gas purification requires separating CH{sub 4} from mixtures with CO{sub 2}, H{sub 2}S, H{sub 2}O, and higher alkanes. A dehydrating membrane would remove water vapor from gas streams in which water is a byproduct or a contaminant, such as refrigeration systems. Molecular sieve films offer the possibility of performing separations involving hydrogen, natural gas constituents, and water vapor at elevated temperatures with very high separation factors. It is in applications such as these that the authors expect inorganic molecular sieve membranes to compete most effectively with current gas separation technologies. Cryogenic separations are very energy intensive. Polymer membranes do not have the thermal stability appropriate for high temperature hydrogen recovery, and tend to swell in the presence of hydrocarbon natural gas constituents. The authors goal is to develop a family of microporous oxide films that offer permeability and selectivity exceeding those of polymer membranes, allowing gas membranes to compete with cryogenic and adsorption technologies for large-scale gas separation applications.

  2. Cancer risk from inorganics

    SciTech Connect

    Swierenga, S.H.; Gilman, J.P.; McLean, J.R.

    1987-01-01

    Inorganic metals and minerals for which there is evidence of carcinogenicity are identified. The risk of cancer from contact with them in the work place, the general environment, and under conditions of clinical (medical) exposure is discussed. The evidence indicates that minerals and metals most often influence cancer development through their action as cocarcinogens. The relationship between the physical form of mineral fibers, smoking and carcinogenic risk is emphasized. Metals are categorized as established (As, Be, Cr, Ni), suspected (Cd, Pb) and possible carcinogens, based on the existing in vitro, animal experimental and human epidemiological data. Cancer risk and possible modes of action of elements in each class are discussed. Views on mechanisms that may be responsible for the carcinogenicity of metals are updated and analysed. Some specific examples of cancer risks associated with the clinical use of potentially carcinogenic metals and from radioactive pharmaceuticals used in therapy and diagnosis are presented. Questions are raised as to the effectiveness of conventional dosimetry in accurately measuring risk from radiopharmaceuticals. 302 references.

  3. An Integrated Curriculum for First- and Second-Year Chemistry Courses

    NASA Astrophysics Data System (ADS)

    Rettich, T. R.; Bailey, David N.; Frank, Forrest J.; Frick, Jeffrey A.

    1996-07-01

    The chemistry department at Illinois Wesleyan University is revising its freshman and sophomore sequence as outlined earlier in this Journal (1). Key features of this innovation are the integration of organic and inorganic chemical concepts throughout the first two years of the curriculum, the incorporation of modern instrumentation into lecture and laboratory beginning the first semester, and the matching of topic development to student ability throughout the two-year sequence. We believe the proposed curriculum has unique advantages in comparison to the traditional, the organic first, and the two-cycle approaches. A student whose only college-level experience with molecular science is traditional general chemistry sees a very isolated view of the subject: a view long on theory and quantitative problem solving, but short on those qualitative skills, life science applications, and hands-on use of advanced chemical instrumentation typically found in organic chemistry. Those programs that put organic first, either as a full year or as part of a two-cycle approach, have the advantage of introducing new topics to college freshmen with an adequate high school chemistry background. But merely shuffling the order of the first four traditional semesters of college chemistry simply exchanges one set of problems for another. Segregating inorganic and organic topics according to semesters means that the most advanced inorganic (or organic) chemical concepts are usually presented in the second semester (or possibly the third semester with a two-cycle approach). Even very capable students who successfully complete such a four-semester program will often view chemistry as disjointed; that is, the sophomore organic chemistry class is seen neither as a logical continuation of nor as a development based upon the first year's experience. The first two years of college chemistry are perceived by most students, and often treated by faculty, as distinct entities. The two courses are

  4. Digital biology and chemistry.

    PubMed

    Witters, Daan; Sun, Bing; Begolo, Stefano; Rodriguez-Manzano, Jesus; Robles, Whitney; Ismagilov, Rustem F

    2014-09-01

    This account examines developments in "digital" biology and chemistry within the context of microfluidics, from a personal perspective. Using microfluidics as a frame of reference, we identify two areas of research within digital biology and chemistry that are of special interest: (i) the study of systems that switch between discrete states in response to changes in chemical concentration of signals, and (ii) the study of single biological entities such as molecules or cells. In particular, microfluidics accelerates analysis of switching systems (i.e., those that exhibit a sharp change in output over a narrow range of input) by enabling monitoring of multiple reactions in parallel over a range of concentrations of signals. Conversely, such switching systems can be used to create new kinds of microfluidic detection systems that provide "analog-to-digital" signal conversion and logic. Microfluidic compartmentalization technologies for studying and isolating single entities can be used to reconstruct and understand cellular processes, study interactions between single biological entities, and examine the intrinsic heterogeneity of populations of molecules, cells, or organisms. Furthermore, compartmentalization of single cells or molecules in "digital" microfluidic experiments can induce switching in a range of reaction systems to enable sensitive detection of cells or biomolecules, such as with digital ELISA or digital PCR. This "digitizing" offers advantages in terms of robustness, assay design, and simplicity because quantitative information can be obtained with qualitative measurements. While digital formats have been shown to improve the robustness of existing chemistries, we anticipate that in the future they will enable new chemistries to be used for quantitative measurements, and that digital biology and chemistry will continue to provide further opportunities for measuring biomolecules, understanding natural systems more deeply, and advancing molecular and

  5. Reticular chemistry for clean energy

    NASA Astrophysics Data System (ADS)

    Yaghi, Omar

    2009-03-01

    Linking molecular building blocks by strong bonds to make networks (Reticular Chemistry) has yielded a number of new classes of materials such as metal-organic frameworks, zeolitic imidazolate frameworks and covalent organic frameworks. These are new classes of porous materials in which inorganic 'joints' are linked by organic 'struts' to give extended structures with surface areas greater than 5000 m2/g. Their ultra-high surface area is useful in storing hydrogen and natural gas, and for capturing carbon dioxide. Recently we have shown that MOFs can be quite effective as air purification and capture of harmful gases. This presentation will highlight the milestones and future prospects of this new field

  6. Examining Enameloid Chemistry in Lower Vertebrates to Determine Conodont Taxonomic Affinity

    NASA Astrophysics Data System (ADS)

    Marshall, C. P.; Olcott Marshall, A.

    2014-06-01

    Despite over 157 years of study, the phylogenetic position of conodonts remains controversial. The aim of this research is to determine the phylogenetic position of conodonts through elucidating inorganic tooth chemistry.

  7. 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.

  8. Chemistry Experiments

    NASA Technical Reports Server (NTRS)

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

    1999-01-01

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

  9. Inorganic nanoparticle-based contrast agents for molecular imaging

    PubMed Central

    Cho, Eun Chul; Glaus, Charles; Chen, Jingyi; Welch, Michael J.; Xia, Younan

    2010-01-01

    Inorganic nanoparticles including semiconductor quantum dots, iron oxide nanoparticles, and gold nanoparticles have been developed as contrast agents for diagnostics by molecular imaging. Compared to traditional contrast agents, nanoparticles offer several advantages: their optical and magnetic properties can be tailored by engineering the composition, structure, size, and shape; their surfaces can be modified with ligands to target specific biomarkers of disease; the contrast enhancement provided can be equivalent to millions of molecular counterparts; and they can be integrated with a combination of different functions for multi-modal imaging. Here, we review recent advances in the development of contrast agents based on inorganic nanoparticles for molecular imaging, with a touch on contrast enhancement, surface modification, tissue targeting, clearance, and toxicity. As research efforts intensify, contrast agents based on inorganic nanoparticles that are highly sensitive, target-specific, and safe to use are expected to enter clinical applications in the near future. PMID:21074494

  10. Advanced Process Control Experiments.

    ERIC Educational Resources Information Center

    Deshpande, Pradeep B.; And Others

    1980-01-01

    Describes laboratory experiments of a chemistry course on advanced process control. The equipment for the process around which these experiments were developed by the University of Louisville was constructed from data provided by Exxon Oil Company. (HM)

  11. Chemistry of superheavy elements.

    PubMed

    Schädel, Matthias

    2006-01-01

    The number of chemical elements has increased considerably in the last few decades. Most excitingly, these heaviest, man-made elements at the far-end of the Periodic Table are located in the area of the long-awaited superheavy elements. While physical techniques currently play a leading role in these discoveries, the chemistry of superheavy elements is now beginning to be developed. Advanced and very sensitive techniques allow the chemical properties of these elusive elements to be probed. Often, less than ten short-lived atoms, chemically separated one-atom-at-a-time, provide crucial information on basic chemical properties. These results place the architecture of the far-end of the Periodic Table on the test bench and probe the increasingly strong relativistic effects that influence the chemical properties there. This review is focused mainly on the experimental work on superheavy element chemistry. It contains a short contribution on relativistic theory, and some important historical and nuclear aspects.

  12. Carbohydrates in Supramolecular Chemistry.

    PubMed

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

    2016-02-24

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

  13. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents procedures, experiments, demonstrations, teaching suggestions, and information on a variety of chemistry topics including, for example, inert gases, light-induced reactions, calculators, identification of substituted acetophenones, the elements, analysis of copper minerals, extraction of metallic strontium, equilibrium, halogens, and…

  14. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

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

  15. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  16. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Short articles on the alkylation of aniline, the preparation and properties of perbromate, using scrap copper in chemistry instruction, a safe method of burning hydrogen, and the use of an ion-charge model as an alternative to the mole concept in secondary school instruction. (AL)

  17. Confectionary Chemistry.

    ERIC Educational Resources Information Center

    Levine, Elise Hilf

    1996-01-01

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

  18. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1976

    1976-01-01

    Describes several chemistry projects, including solubility, formula for magnesium oxide, dissociation of dinitrogen tetroxide, use of 1-chloro-2, 4-dinitrobenzene, migration of ions, heats of neutralizations, use of pocket calculators, sonic cleaning, oxidation states of manganese, and cell potentials. Includes an extract from Chemical Age on…

  19. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 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;…

  20. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes some laboratory apparatus, chemistry experiments and demonstrations, such as a Kofler block melting point apparatus, chromatographic investigation of the phosphoric acid, x-ray diffraction, the fountain experiment, endothermic sherbet, the measurement of viscosity, ionization energies and electronic configurations. (GA)

  1. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1980

    1980-01-01

    Presents 12 chemistry notes for British secondary school teachers. Some of these notes are: (1) a simple device for testing pH-meters; (2) portable fume cupboard safety screen; and (3) Mass spectroscopy-analysis of a mass peak. (HM)

  2. Integrating Particulate Representations into AP Chemistry and Introductory Chemistry Courses

    ERIC Educational Resources Information Center

    Prilliman, Stephen G.

    2014-01-01

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

  3. Reactivity II: A Second Foundation-Level Course in Integrated Organic, Inorganic, and Biochemistry

    ERIC Educational Resources Information Center

    Schaller, Chris P.; Graham, Kate J.; McIntee, Edward J.; Jones, T. Nicholas; Johnson, Brian J.

    2016-01-01

    A foundation-level course is described that integrates material related to reactivity in organic, inorganic, and biochemistry. Designed for second-year students, the course serves majors in chemistry, biochemistry, and biology, as well as prehealth-professions students. Building on an earlier course that developed concepts of nucleophiles and…

  4. Crude oil in a shallow sand and gravel aquifer—I. Hydrogeology and inorganic geochemistry

    USGS Publications Warehouse

    Bennett, P.C.; Siegel, D.E.; Baedecker, M.J.; Hult, M.F.

    1993-01-01

    The observed changes in inorganic aqueous chemistry document changes in water-mineral interactions caused by the presence of an organic contaminant. These organic-initiated interactions are likely present in many contaminated aquifers and may be analogous to interactions occurring in other organic-rich natural waters.

  5. Auto-organisation of hybrid organic-inorganic materials prepared by sol-gel process.

    PubMed

    Boury, Bruno; Corriu, Robert J P

    2002-04-21

    Silica-based hybrid organic-inorganic materials prepared by sol-gel chemistry exhibit chemical and physical properties revealing their anisotropic organisation. Besides the opportunities that this phenomenon opens for the preparation of new materials, it also provides arguments to the chemist looking for a better comprehension and control of the organisation of solids.

  6. Nuclear Chemistry, Science (Experimental): 5316.62.

    ERIC Educational Resources Information Center

    Williams, Russell R.

    This nuclear chemistry module includes topics on atomic structure, instability of the nucleus, detection strengths and the uses of radioactive particles. Laboratory work stresses proper use of equipment and safe handling of radioactive materials. Students with a strong mathematics background may consider this course as advanced work in chemistry.…

  7. Transformations of inorganic coal constituents in combustion systems

    SciTech Connect

    Helble, J.J.; Srinivasachar, S.; Wilemski, G.; Boni, A.A. ); Kang, Shin-Gyoo; Sarofim, A.F.; Beer, J.M. ); Peterson, T.W.; Wendt, J.O.L.; Gallagher, N.B.; Bool, L. ); Shah, N.; Huggins, F.E.; Huffman, G.P. )

    1991-09-01

    The technical objectives of this project are: (1) To define the partitioning of inorganic constituents associated with raw coal particles among products (including vapors, aerosols, and residual char/ash particles) formed under conditions representative of pulverized coal flames as a function of the specific (intrinsic and extrinsic) characteristics of the raw coal and the environment in which the transformations occur; and to characterize the resultant spectrum of products in detail. (2) To elucidate and quantify the fundamental processes (involving basic principles of physics, chemistry, thermodynamics) by which transformations of the inorganic constituents occur; and (3) to develop, based on the information required in (1) and (2), a tractable process'' model capable of predicting the significant features of the transformation process, most importantly, the nature and distribution of products. 26 refs., 151 figs., 51 tabs.

  8. ISSUES IN LIGNIN CHEMISTRY. "THE HELSINKI CONNECTION"

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This presentation covers advances in lignin chemistry (and our Helsinki connection) on dibenzodioxocins, spirodienones, and reduced structures in lignins. It also explores the various roles in defending lignification theory (based on Freudenberg's original hypothesis) against a supposed new contende...

  9. Synthesis and Characterization of New Organic, Inorganic, and Organometallic Tetrathiafulvalenes and Cadmium Selenide Hybrid Materials

    NASA Astrophysics Data System (ADS)

    Belot, John Allen, Jr.

    1995-11-01

    A variety of new organic, inorganic, and organometallic complexes based on the tetrathiafulvalene (TTF) backbone have been synthesized and characterized for the development of new materials. The organic research of this thesis outlines a novel one-pot synthetic procedure and new purification route for the selective recovery of unsymmetrical TTFs. The advancements regarding this chemistry center around the phosphorus mediated coupling of two different thione heterocycles, and are based on the results of mechanistic studies using ^{31}P NMR. In addition to this, the successful synthesis and characterization of three new classes of tetrathiafulvalenes is presented. These materials may be used for conductive liquid crystals, metal -ion sensor, or high-spin organic materials. The inorganic chemistry developed in this manuscript presents two firsts in TTF chemistry. The work begins with a synopsis of a new procedure for the selective generation and isolation of tetrathiafulvalene tetrathiolate (TTFS _4^{4-}); and following the discovery of this ligand synthesis, we succeeded in making the first reported homobimetallic TTFS_4 inorganic coordination complexes using the late transition metals Pt and Ni. The reactions to produce these complexes were accomplished by introducing TTFS _4^{4-} Li^+ 4 to the metal cis-dichlorides rm Cl_2Pt(PPh_3)_2, Cl _2Ni(DPPP), and rm Cl_2Ni(4,4 ^'-Mebipy) and subsequently isolating the products. These studies led to the recovery and characterization of first metal-TTF hybrid materials. As a direct consequence of the difficulties encountered with the late transition metal coordination complexes, we also synthesized the first early transition metal organometallic TTFS_4^ecies using the reaction of TTFS_4^{4-} Li^+_4 with rm Cl_2TiR_2 (R = Cp, Cp*, i-PrCp). An important result of this research was the first single crystal X-ray structure of a homobimetallic TTFS _4 complex. In addition to this, these materials proved useful in elucidating the

  10. Self-assembled hierarchically structured organic-inorganic composite systems.

    PubMed

    Tritschler, Ulrich; Cölfen, Helmut

    2016-06-01

    Designing bio-inspired, multifunctional organic-inorganic composite materials is one of the most popular current research objectives. Due to the high complexity of biocomposite structures found in nacre and bone, for example, a one-pot scalable and versatile synthesis approach addressing structural key features of biominerals and affording bio-inspired, multifunctional organic-inorganic composites with advanced physical properties is highly challenging. This article reviews recent progress in synthesizing organic-inorganic composite materials via various self-assembly techniques and in this context highlights a recently developed bio-inspired synthesis concept for the fabrication of hierarchically structured, organic-inorganic composite materials. This one-step self-organization concept based on simultaneous liquid crystal formation of anisotropic inorganic nanoparticles and a functional liquid crystalline polymer turned out to be simple, fast, scalable and versatile, leading to various (multi-)functional composite materials, which exhibit hierarchical structuring over several length scales. Consequently, this synthesis approach is relevant for further progress and scientific breakthrough in the research field of bio-inspired and biomimetic materials. PMID:27175790

  11. Mars Aqueous Chemistry Experiment (MACE)

    NASA Technical Reports Server (NTRS)

    Benton, Clark C. (Editor)

    1995-01-01

    The concept of an aqueous-based chemical analyzer for Martian surface materials has been demonstrated to be feasible. During the processes of analysis, design, breadboarding, and most importantly, testing, it has become quite apparent that there are many challenges in implementing such a system. Nonetheless, excellent progress has been made and a number of problems which arose have been solved. The ability to conduct this work under a development environment which is separate and which precedes the project-level development has allowed us to find solutions to these implementation realities at low cost. If the instrument had been selected for a mission without this laboratory pre-project work, the costs of implementation would be much higher. In the four areas covered in Sections D, E, F, and G of this Final Report, outstanding progress has been made. There still remains the task of flight-qualifying certain of the components. This is traditionally done under the aegis of a Flight Project, but just as the concept development can be done at much lower cost when kept small and focused, so could the qualification program of critical parts benefit. We recommend, therefore, that NASA consider means of such qualifications and brass-boarding, in advance of final flight development. This is a generic recommendation, but hardware such as the Mars aqueous chemistry experiment (MACE) and other similarly-new concepts are particularly applicable. MACE now has wide versatility, in being able to reliably dispense both liquids and solids as chemical reagents to an entire suite of samples. The hardware and the experiment is much simpler than was developed for the Viking Biology instrument, yet can accomplish all the inorganic chemical measurements that the Viking desing was capable of. In addition, it is much more flexible and versatile to new experiment protocols (and reagents) than the Viking design ever could have been. MACE opens up the opportunity for many different scientific

  12. Protein-inorganic hybrid nanoflowers

    NASA Astrophysics Data System (ADS)

    Ge, Jun; Lei, Jiandu; Zare, Richard N.

    2012-07-01

    Flower-shaped inorganic nanocrystals have been used for applications in catalysis and analytical science, but so far there have been no reports of `nanoflowers' made of organic components. Here, we report a method for creating hybrid organic-inorganic nanoflowers using copper (II) ions as the inorganic component and various proteins as the organic component. The protein molecules form complexes with the copper ions, and these complexes become nucleation sites for primary crystals of copper phosphate. Interaction between the protein and copper ions then leads to the growth of micrometre-sized particles that have nanoscale features and that are shaped like flower petals. When an enzyme is used as the protein component of the hybrid nanoflower, it exhibits enhanced enzymatic activity and stability compared with the free enzyme. This is attributed to the high surface area and confinement of the enzymes in the nanoflowers.

  13. Study on effects of powder and flake chemistry and morphology on the properties of Al-Cu-Mg-X-X-X powder metallurgy advanced aluminum alloys

    NASA Technical Reports Server (NTRS)

    Meschter, P. J.; Lederich, R. J.; Oneal, J. E.; Pao, P. S.

    1985-01-01

    The effects of alloy chemistry and particulate morphology on consolidation behavior and consolidated product properties in rapid solidification processed, powder-metallurgical Al-3Li-1.5Cu-1Mg-0.5Co-0.2Zr and Al-4.4Cu-1.5Mg-Fe-Ni-0.2Zr extrusions and forgings were studied. Microstructures and mechanical properties of both alloys are largely unaffected by particulate production method (vacuum atomization, ultrasonic atomization, or twin-roller quenching) and by particulate solidification rates between 1000 and 100,000 K/s. Consolidation processing by canning, cold compaction, degassing, and hot extrusion is sufficient to yield mechanical properties in the non-Li-containing alloy extrusions which are similar to those of 7075-Al, but ductilities and fracture toughnesses are inferior owing to poor interparticle bonding caused by lack of a vacuum-hot-pressing step during consolidation. Mechanical properties of extrusions are superior to those of forgings owing to the stronger textures produced by the more severe hot working during extrusion. The effects on mechanical properties of dispersoid size and volume fraction, substructural refinement, solid solution strengthening by Mg, and precipitate size and distribution are elucidated for both alloy types.

  14. Study of improved resins for advanced supersonic technology composites. Part 1: Heteroaromatic polymers containing ether groups. Part 2: Curing chemistry of aromatic polymers and composite studies

    NASA Technical Reports Server (NTRS)

    Takekoshi, T.; Hillig, W. B.; Mellinger, G. A.

    1975-01-01

    Fourteen ether-containing, aromatic dianhydrides have been synthesized from N-phenyl-3 or 4-nitrophthalimide and various bisphenols. The process involves nucleophilic displacement of activated nitro groups with bisphenolate ions. Ether-containing dianhydrides were indefinitely stable in the presence of atmospheric moisture. One-step, high temperature solution polymerization of the ether-containing dianhydrides with m-phenylene diamine, 4,4'-oxydianiline and 1, 3-bis(4-aminophenoxy)benzene afforded 42 polyetherimides. The polyetherimides were all soluble in m-cresol except two which were found to be crystalline. The glass transition temperatures of the polyetherimides ranged from 178 to 277 C. Soluble polybenzimidazopyrrolones containing ether groups were also prepared from the same ether-containing dianhydrides and aromatic tetraamines by one-step solution polymerization. Using low molecular weight polyetherimides, various thermoset resin systems were developed and tested as matrices for fiber-reinforced composites. The curing chemistry involving reaction of the phthalonitrile group and the o-diaminophenyl group was found to be generally applicable to crosslinking various aromatic polymers other than polyimides.

  15. Detonation Properties Measurements for Inorganic Explosives

    NASA Astrophysics Data System (ADS)

    Morgan, Brent A.; Lopez, Angel

    2005-03-01

    Many commonly available explosive materials have never been quantitatively or theoretically characterized in a manner suitable for use in analytical models. This includes inorganic explosive materials used in spacecraft ordnance, such as zirconium potassium perchlorate (ZPP). Lack of empirical information about these materials impedes the development of computational techniques. We have applied high fidelity measurement techniques to experimentally determine the pressure and velocity characteristics of ZPP, a previously uncharacterized explosive material. Advances in measurement technology now permit the use of very small quantities of material, thus yielding a significant reduction in the cost of conducting these experiments. An empirical determination of the explosive behavior of ZPP derived a Hugoniot for ZPP with an approximate particle velocity (uo) of 1.0 km/s. This result compares favorably with the numerical calculations from the CHEETAH thermochemical code, which predicts uo of approximately 1.2 km/s under ideal conditions.

  16. Inorganic nanotube nanofluidics

    NASA Astrophysics Data System (ADS)

    Fan, Rong

    , a positive gate voltage depletes cations (majority) while a negative gate further enhances cation concentration. The resulting device is essentially a p-type ionic transistor. The inherent carrier concentration within nanotubes is determined by surface potentials and charge densities. Therefore, surface modification, which alters surface charges, can change the inherent carrier density and even switch channel polarity. We functionalize the hydroxyl group terminated silica surfaces with aminosilane chemistry, thus modifying the surface charge density and creating ambipolar and n-type nanofluidic transistors. We further employed the Poisson-Boltzmann model to systematically analyze these results. Transient responses upon switching on gate voltages lead us to propose a first kinetic model to explain the field effect modulation in nanofluidic systems. This single nanotube-based nanofluidic device, which has dimensions comparable to the size of biomolecules, represents a new-platform for single molecule detection. lambda-DNA translocations through single nanotubes were stochastically sensed by ionic current changes. The results turned out that both charge effect and geometrical effect play key roles in, single molecule sensing. These high aspect ratio nanotubes provide a novel approach to investigate the conformational evolution from the fine structure of ionic current curves, which is mechanistically different from that for narrow nanopores. The development of microtrench-based fabrication process enables the custom-designed and multiplexed nanotube nanofluidic systems. The anionic dye diffusion was regulated by ionic strength, in agreement with unipolar transport mechanism. A well-aligned mesoporous nanochannel thin film was exploited for sub-10nm nanofluidics. Nanofluidics is attracting increasing attention in bioanalytical technology and biophysics field. MOSolFETs represent the key units for building up large-scale nanofluidic processors and logic circuits. This

  17. Inorganic nanotubes: One contribution of 12 to a Theme 'Nanotechnology of carbon and related materials'

    NASA Astrophysics Data System (ADS)

    Tenne, Reshef; Rao, C. N. R.

    2004-10-01

    Following the discovery of carbon fullerenes and carbon nanotubes, it was hypothesized that nanoparticles of inorganic compounds with layered (two-dimensional) structure, such as MoS2, will not be stable against folding and form nanotubes and fullerene-like structures: IF. The synthesis of numerous other inorganic nanotubes has been reported in recent years. Various techniques for the synthesis of inorganic nanotubes, including high-temperature reactions and strategies based on 'chemie douce' (soft chemistry, i.e. low-temperature) processes, are described. First-principle, density functional theory based calculations are able to provide substantial information on the structure and properties of such nanotubes. Various properties of inorganic nanotubes, including mechanical, electronic and optical properties, are described in brief. Some potential applications of the nanotubes in tribology, protection against impact, (photo)catalysis, batteries, etc., are discussed.

  18. Circumstellar chemistry

    NASA Technical Reports Server (NTRS)

    Glassgold, A. E.; Mamon, G. A.

    1991-01-01

    Recent theoretical studies of circumstellar chemistry are discussed for both red-giant and protostellar winds. The generalized photochemical model is able to account for the recently discovered silicon-bearing molecules in the prototypical, C-rich, AGB star IRC + 10216. The surprising occurrence of CO in protostellar winds that are largely atomic is interpreted to be the result of the high density and the rapid decrease of the temperature with distance that is expected for such winds.

  19. Interannual stability of organic to inorganic carbon production on a coral atoll

    NASA Astrophysics Data System (ADS)

    Kwiatkowski, Lester; Albright, Rebecca; Hosfelt, Jessica; Nebuchina, Yana; Ninokawa, Aaron; Rivlin, Tanya; Sesboüé, Marine; Wolfe, Kennedy; Caldeira, Ken

    2016-04-01

    Ocean acidification has the potential to adversely affect marine calcifying organisms, with substantial ocean ecosystem impacts projected over the 21st century. Characterizing the in situ sensitivity of calcifying ecosystems to natural variability in carbonate chemistry may improve our understanding of the long-term impacts of ocean acidification. We explore the potential for intensive temporal sampling to isolate the influence of carbonate chemistry on community calcification rates of a coral reef and compare the ratio of organic to inorganic carbon production to previous studies at the same location. Even with intensive temporal sampling, community calcification displays only a weak dependence on carbonate chemistry variability. However, across three years of sampling, the ratio of organic to inorganic carbon production is highly consistent. Although further work is required to quantify the spatial variability associated with such ratios, this suggests that these measurements have the potential to indicate the response of coral reefs to ongoing disturbance, ocean acidification, and climate change.

  20. Inorganic Photovoltaics Materials and Devices: Past, Present, and Future

    NASA Technical Reports Server (NTRS)

    Hepp, Aloysius F.; Bailey, Sheila G.; Rafaelle, Ryne P.

    2005-01-01

    This report describes recent aspects of advanced inorganic materials for photovoltaics or solar cell applications. Specific materials examined will be high-efficiency silicon, gallium arsenide and related materials, and thin-film materials, particularly amorphous silicon and (polycrystalline) copper indium selenide. Some of the advanced concepts discussed include multi-junction III-V (and thin-film) devices, utilization of nanotechnology, specifically quantum dots, low-temperature chemical processing, polymer substrates for lightweight and low-cost solar arrays, concentrator cells, and integrated power devices. While many of these technologies will eventually be used for utility and consumer applications, their genesis can be traced back to challenging problems related to power generation for aerospace and defense. Because this overview of inorganic materials is included in a monogram focused on organic photovoltaics, fundamental issues and metrics common to all solar cell devices (and arrays) will be addressed.

  1. Inorganic Fullerenes, Onions, and Tubes

    ERIC Educational Resources Information Center

    York, Andrew P. E.

    2004-01-01

    Buckminsterfullerene, which is in the shape of a soccer-ball was first discovered in 1985, has many applications as a good lubricant, or as a new superconductor. The synthesis of these inorganic fullerenes involves a great deal of interdisciplinary research between physicists, material scientists, engineers and chemists from various fields.

  2. Inorganic Reaction Mechanisms. Part I

    ERIC Educational Resources Information Center

    Cooke, D. O.

    1976-01-01

    Provides a collection of data on the mechanistic aspects of inorganic chemical reactions. Wherever possible includes procedures for classroom demonstration or student project work. The material covered includes gas phase reactions, reactions in solution, mechanisms of electron transfer, the reaction between iron III and iodine, and hydrolysis. (GS)

  3. An Approach to Teaching Systematic Inorganic Reaction Chemistry in Beginning Chemistry Courses.

    ERIC Educational Resources Information Center

    Basolo, Fred; Parry, Robert W.

    1980-01-01

    Presents examples of combination, decomposition, replacement metathesis, and neutralization chemical reactions. Suggests that students will gain knowledge of some general trends in the chemical properties of the main group and transition elements by examining reaction types. (JN)

  4. 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.

  5. Expanding coordination chemistry from protein to protein assembly.

    PubMed

    Sanghamitra, Nusrat J M; Ueno, Takafumi

    2013-05-14

    Bioinorganic chemistry is of growing importance in the fields of nanomaterial science and biotechnology. Coordination of metals by biological systems is a crucial step in intricate enzymatic reactions such as photosynthesis, nitrogen fixation and biomineralization. Although such systems employ protein assemblies as molecular scaffolds, the important roles of protein assemblies in coordination chemistry have not been systematically investigated and characterized. Many researchers are joining the field of bioinorganic chemistry to investigate the inorganic chemistry of protein assemblies. This area is emerging as an important next-generation research field in bioinorganic chemistry. This article reviews recent progress in rational design of protein assemblies in coordination chemistry for integration of catalytic reactions using metal complexes, preparation of mineral biomimetics, and mechanistic investigations of biomineralization processes with protein assemblies. The unique chemical properties of protein assemblies in the form of cages, tubes, and crystals are described in this review.

  6. Virus-based surface patterning of biological molecules, probes, and inorganic materials.

    PubMed

    Ahn, Suji; Jeon, Seongho; Kwak, Eun-A; Kim, Jong-Man; Jaworski, Justyn

    2014-10-01

    An essential requirement for continued technological advancement in many areas of biology, physics, chemistry, and materials science is the growing need to generate custom patterned materials. Building from recent achievements in the site-specific modification of virus for covalent surface tethering, we show in this work that stable 2D virus patterns can be generated in custom geometries over large area glass surfaces to yield templates of biological, biochemical, and inorganic materials in high density. As a nanomaterial building block, filamentous viruses have been extensively used in recent years to produce materials with interesting properties, owing to their ease of genetic and chemical modification. By utilizing un-natural amino acids generated at specific locations on the filamentous fd bacteriophage protein coat, surface immobilization is carried out on APTES patterned glass resulting in precise geometries of covalently linked virus material. This technique facilitated the surface display of a high density of virus that were labeled with biomolecules, fluorescent probes, and gold nanoparticles, thereby opening the possibility of integrating virus as functional components for surface engineering.

  7. A Tiny Adventure: The Introduction of Problem Based Learning in an Undergraduate Chemistry Course

    ERIC Educational Resources Information Center

    Williams, Dylan P.; Woodward, Jonathan R.; Symons, Sarah L.; Davies, David L.

    2010-01-01

    Year 1 of the chemistry degree at the University of Leicester has been significantly changed by the integration of a problem based learning (PBL) component into the introductory inorganic/physical chemistry module, "Chemical Principles". Small groups of 5-6 students were given a series of problems with real world scenarios and were then given the…

  8. Curriculum Outline for Introduction to Engineering Chemistry. First Edition. Review Cycle-Annual.

    ERIC Educational Resources Information Center

    Schlenker, Richard M.

    This curriculum outline consists of behavioral objectives (called terminal and enabling objectives) for Introduction to Engineering Chemistry, a one-semester, post-secondary course consisting of four 1-hour lectures each week. Course goal is to introduce marine engineering students to the rudiments of basic/introductory inorganic chemistry. The…

  9. Curriculum Outline for Introduction to Engineering Chemistry. Second Edition. Review Cycle-Annual.

    ERIC Educational Resources Information Center

    Schlenker, Richard M.

    Introduction to Engineering Chemistry is a four-credit hour (one semester) course designed to introduce marine engineering students to the rudiments of basic (introductory) inorganic chemistry. The course consists of 18 units (numbered 1.0 through 18.0) focusing on these subject areas: fundamental concepts; structure of the atom and the periodic…

  10. Industrial Chemistry: A Series of New Courses at the Undergraduate Level.

    ERIC Educational Resources Information Center

    Jasinski, Jerry P.; Miller, Robert E.

    1985-01-01

    Describes four courses in the undergraduate bachelor of science program in industrial chemistry at Keene State College (NH). They are (1) introduction to industrial chemistry; (2) polymers--synthesis and separation techniques; (3) inorganic industrial processes; and (4) organic industrial processes. (JN)

  11. (Pesticide chemistry)

    SciTech Connect

    Barnthouse, L.W.

    1990-09-04

    This report summarizes a trip by L. W. Barnthouse of the Environmental Sciences Division (ESD), Oak Ridge National Laboratory (ORNL), to Hamburg, Federal Republic of Germany (FRG), where he participated in the 7th International Congress of Pesticide Chemistry. He chaired a workshop on experimental systems for determining effects of pesticides on nontarget organisms and gave an oral presentation at a symposium on pesticide risk assessment. Before returning to the United States, Dr. Barnthouse visited the Netherlands Institute for Sea Research in Texel, the Netherlands.

  12. Computing protein infrared spectroscopy with quantum chemistry.

    PubMed

    Besley, Nicholas A

    2007-12-15

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

  13. Interactions between lipid bilayers and inorganic material surfaces

    NASA Astrophysics Data System (ADS)

    Mager, Morgan Douglas

    Because of their unique biological and material properties, lipid bilayers have been extensively studied for use in biosensor and drug delivery applications. In the past, these systems have mostly taken the form of bulk solutions. More recently, researchers have integrated bilayers with chip-based architectures to take advantage of advanced optical, scanning probe and electronic characterization. These applications typically involve the creation of hybrid devices with inorganic and bilayer components, both of which affect the final device performance. In particular, the properties of supported lipid bilayers (SLBs) are known to depend on the substrate chemistry and topography as well as the lipid used. In spite of the large body of work involving these systems, there is still much that remains unknown about the formation and ultimate structure of the interface between these very different materials. One outstanding question in the study of SLBs is the role that the bilayer deposition method plays in determining the bilayer properties. In this work, we have developed a new method for forming and patterning lipid bilayers: bubble collapse deposition (BCD). This method is similar to an in situ version of Langmuir-Blodgett deposition, and offers unique possibilities for the fabrication of lipid-based devices. Briefly, a lipid monolayer is "inked" onto the surface of an air bubble. This bubble is then brought down on a solid support and the air is withdrawn. This withdrawal of air shrinks the bubble, which causes the monolayer to fold over on itself and redeposit on the surface as a bilayer. With BCD, we have demonstrated the first SLB formation on alumina using uncharged lipids. Using this system, we have measured a previously unobserved enhanced hydrodynamic coupling at the alumina surface. We have also used BCD to produce a hybrid lipid-gated chemical delivery device with potentially sub-cellular spatial resolution. Because of the unique material properties of the

  14. Comparing Recent Organizing Templates for Test Content between ACS Exams in General Chemistry and AP Chemistry

    ERIC Educational Resources Information Center

    Holme, Thomas

    2014-01-01

    Two different versions of "big ideas" rooted content maps have recently been published for general chemistry. As embodied in the content outline from the College Board, one of these maps is designed to guide curriculum development and testing for advanced placement (AP) chemistry. The Anchoring Concepts Content Map for general chemistry…

  15. Mechanics of flexible electronics and photonics based on inorganic micro- and nanomaterials

    NASA Astrophysics Data System (ADS)

    Lu, Nanshu; Yang, Shixuan; Qiao, Shutao

    2014-06-01

    Flexible electronics and photonics are providing revolutionary solutions for communication, energy, and health care. While some of the organic electronic and photonic materials are intrinsically deformable and low cost to manufacture, their performance and chemical stabilities are yet to match conventional inorganic semiconductors. Strategies for high performance flexible electronics and photonics must overcome challenges associated with the intrinsic stiffness and brittleness of inorganic materials. This paper discusses recent modeling and experimental advancement in the bendability and stretchability of inorganic electronics and photonics. Examples include the discovery of multiple neutral axes in multilayer structures and the comparison between freestanding and polymer-bonded serpentine ribbons.

  16. Effect of aspartame on circadian oscillations of calcium and inorganic phosphorus in rats.

    PubMed

    Rajasekar, P; Manivasagam, T; Subramanian, P

    2004-08-01

    The effect of aspartame on circadian rhythms of calcium and inorganic phosphorus levels was studied in rats. Acrophase delays in calcium rhythms and advances in inorganic phosphorus rhythms and alteration in mesor values in both rhythms were observed in aspartame-treated rats. However, no change in amplitude values was observed. Oral administration of aspartame leads to increased levels of aspartate in the brain, which could alter the characteristics of calcium and inorganic phosphorus rhythms, possibly by modulating transmission in several areas/nuclei in brain, including retinohypothalamic tract (RHT) and suprachiasmatic nuclei (SCN).

  17. Stereoisomerism in Coordination Chemistry: A Laboratory Experiment for Undergraduate Students.

    ERIC Educational Resources Information Center

    Gargallo, Maria Fe; And Others

    1988-01-01

    Describes an experimental procedure to acquaint inorganic chemistry students with stereochemical concepts using tris-(2,3-butanediamine)cobalt(III). Notes two isomeric forms exist and both form metal chelates. Separation is accomplished by chromatography and analysis is by NMR and infrared spectroscopy. Provides spectra of isomers. (MVL)

  18. Chemistry for Operators. Training Module 1.320.2.77.

    ERIC Educational Resources Information Center

    Kirkwood Community Coll., Cedar Rapids, IA.

    This document is an instructional module package prepared in objective form for use by an instructor familiar with general inorganic chemistry. Included are objectives, instructor guides and student handouts. The module considers matter, compounds, chemical equations, solutions, chemical equilibrium, acids and bases and solubility equilibria.…

  19. Oxidation Kinetics of Copper: An Experiment in Solid State Chemistry.

    ERIC Educational Resources Information Center

    Ebisuzaki, Y.; Sanborn, W. B.

    1985-01-01

    Oxidation kinetics in metals and the role defects play in diffusion-controlled reactions are discussed as background for a junior/senior-level experiment in the physical or inorganic chemistry laboratory. Procedures used and typical data obtained are provided for the experiment. (JN)

  20. POREWATER CHEMISTRY: EFFECTS OF SAMPLING, STORAGE, HANDLING, AND TOXICITY TESTING

    EPA Science Inventory

    As a general principle, it is nearly impossible to remove a porewater sample from sediment, use it in a toxicity testing vessel with test organisms, and prevent changes in the chemistry of the natural and anthropogenic organic and inorganic constituents. The degree of change in t...

  1. Inorganic carbon speciation and fluxes in the Congo River

    NASA Astrophysics Data System (ADS)

    Wang, Zhaohui Aleck; Bienvenu, Dinga Jean; Mann, Paul J.; Hoering, Katherine A.; Poulsen, John R.; Spencer, Robert G. M.; Holmes, Robert M.

    2013-02-01

    Seasonal variations in inorganic carbon chemistry and associated fluxes from the Congo River were investigated at Brazzaville-Kinshasa. Small seasonal variation in dissolved inorganic carbon (DIC) was found in contrast with discharge-correlated changes in pH, total alkalinity (TA), carbonate species, and dissolved organic carbon (DOC). DIC was almost always greater than TA due to the importance of CO2*, the sum of dissolved CO2 and carbonic acid, as a result of low pH. Organic acids in DOC contributed 11-61% of TA and had a strong titration effect on water pH and carbonate speciation. The CO2* and bicarbonate fluxes accounted for ~57% and 43% of the DIC flux, respectively. Congo River surface water released CO2 at a rate of ~109 mol m-2 yr-1. The basin-wide DIC yield was ~8.84 × 104 mol km-2 yr-1. The discharge normalized DIC flux to the ocean amounted to 3.11 × 1011 mol yr-1. The DOC titration effect on the inorganic carbon system may also be important on a global scale for regulating carbon fluxes in rivers.

  2. Size and Crystallinity in Protein-Templated Inorganic Nanoparticles

    SciTech Connect

    Jolley, Craig C.; Uchida, Masaki; Reichhardt, Courtney; Harrington, Richard; Kang, Sebyung; Klem, Michael T.; Parise, John B.; Douglas, Trevor

    2010-12-01

    Protein cages such as ferritins and virus capsids have been used as containers to synthesize a wide variety of protein-templated inorganic nanoparticles. While identification of the inorganic crystal phase has been successful in some cases, very little is known about the detailed nanoscale structure of the inorganic component. We have used pair distribution function analysis of total X-ray scattering to measure the crystalline domain size in nanoparticles of ferrihydrite, {gamma}-Fe{sub 2}O{sub 3}, Mn{sub 3}O{sub 4}, CoPt, and FePt grown inside 24-meric ferritin cages from H. sapiens and P. furiosus. The material properties of these protein-templated nanoparticles are influenced by processes at a variety of length scales: the chemistry of the material determines the precise arrangement of atoms at very short distances, while the interior volume of the protein cage constrains the maximum nanoparticle size attainable. At intermediate length scales, the size of coherent crystalline domains appears to be constrained by the arrangement of crystal nucleation sites on the interior of the cage. On the basis of these observations, some potential synthetic strategies for the control of crystalline domain size in protein-templated nanoparticles are suggested.

  3. Provocative Opinion: Descriptive Chemistry.

    ERIC Educational Resources Information Center

    Bent, Henry A.; Bent, Brian E.

    1987-01-01

    Discusses many of the distinctions that chemists draw between theoretical chemistry and descriptive chemistry, along with the tendency for chemical educators to adopt the type of chemistry they feel is most important to teach. Uses examples to argue that theoretical chemistry and descriptive chemistry are, at the bottom line, the same. (TW)

  4. Medicinal electrochemistry: integration of electrochemistry, medicinal chemistry and computational chemistry.

    PubMed

    Almeida, M O; Maltarollo, V G; de Toledo, R A; Shim, H; Santos, M C; Honorio, K M

    2014-01-01

    Over the last centuries, there were many important discoveries in medicine that were crucial for gaining a better understanding of several physiological processes. Molecular modelling techniques are powerful tools that have been successfully used to analyse and interface medicinal chemistry studies with electrochemical experimental results. This special combination can help to comprehend medicinal chemistry problems, such as predicting biological activity and understanding drug action mechanisms. Electrochemistry has provided better comprehension of biological reactions and, as a result of many technological improvements, the combination of electrochemical techniques and biosensors has become an appealing choice for pharmaceutical and biomedical analyses. Therefore, this review will briefly outline the present scope and future advances related to the integration of electrochemical and medicinal chemistry approaches based on various applications from recent studies. PMID:24533810

  5. Medicinal electrochemistry: integration of electrochemistry, medicinal chemistry and computational chemistry.

    PubMed

    Almeida, M O; Maltarollo, V G; de Toledo, R A; Shim, H; Santos, M C; Honorio, K M

    2014-01-01

    Over the last centuries, there were many important discoveries in medicine that were crucial for gaining a better understanding of several physiological processes. Molecular modelling techniques are powerful tools that have been successfully used to analyse and interface medicinal chemistry studies with electrochemical experimental results. This special combination can help to comprehend medicinal chemistry problems, such as predicting biological activity and understanding drug action mechanisms. Electrochemistry has provided better comprehension of biological reactions and, as a result of many technological improvements, the combination of electrochemical techniques and biosensors has become an appealing choice for pharmaceutical and biomedical analyses. Therefore, this review will briefly outline the present scope and future advances related to the integration of electrochemical and medicinal chemistry approaches based on various applications from recent studies.

  6. INORGANIC PYROPHOSPHATASE OF DESULFOVIBRIO DESULFURICANS.

    PubMed

    AKAGI, J M; CAMPBELL, L L

    1963-09-01

    Akagi, J. M. (University of Illinois, Urbana) and L. Leon Campbell. Inorganic pyrophosphatase of Desulfovibrio desulfuricans. J. Bacteriol. 86:563-568. 1963.-The inorganic pyrophosphatase of Desulfovibrio desulfuricans was purified 136-fold by (NH(4))(2)SO(4) and ethanol fractionation and diethylaminoethyl cellulose chromatography. Mg(++) or Mn(++) was required for optimal activity; Co(++) was only 65% as effective as Mg(++). The optimal ratio of Mg(++) to pyrophosphate was 1.0 at pH 8.0. The K(s) for the pyrophosphatase was found to be in the region of 1.9 x 10(-3)m. Sulfhydryl inhibitors and sodium fluoride had no effect on enzyme activity at a concentration of 10(-3)m. The purified enzyme did not hydrolyze adenosine triphosphate, glycerol phosphate, diphenyl phosphate, or p-nitrophenyl phosphate. Thermal stability studies showed that the enzyme is rapidly inactivated at temperatures above 40 C. PMID:14066437

  7. Gas separations using inorganic membranes

    SciTech Connect

    Egan, B.Z.; Singh, S.P.N. ); Fain, D.E.; Roettger, G.E.; White, D.E. )

    1992-04-01

    This report summarizes the results from a research and development program to develop, fabricate, and evaluate inorganic membranes for separating gases at high temperatures and pressures in hostile process environments encountered in fossil energy conversion processes such as coal gasification. The primary emphasis of the research was on the separation and recovery of hydrogen from synthesis gas. Major aspects of the program included assessment of the worldwide research and development activity related to gas separations using inorganic membranes, identification and selection of candidate membrane materials, fabrication and characterization of membranes using porous membrane technology developed at the Oak Ridge K-25 Site, and evaluation of the separations capability of the fabricated membranes in terms of permeabilities and fluxes of gases.

  8. ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part II--A Physical Chemistry Laboratory Experiment on Surface Adsorption

    ERIC Educational Resources Information Center

    Schuttlefield, Jennifer D.; Larsen, Sarah C.; Grassian, Vicki H.

    2008-01-01

    Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. The use of FTIR-ATR spectroscopy in organic and inorganic chemistry laboratory courses as well as in undergraduate research was presented…

  9. Spontaneous growth and division in self-reproducing inorganic colloidosomes.

    PubMed

    Li, Mei; Huang, Xin; Mann, Stephen

    2014-08-27

    Self-reproduction in compartmentalized chemical ensembles is a central issue for the development of new materials and processes capable of autonomous behavior, self-amplification and artificial evolution. Current approaches to synthetic cellularity focus primarily on self-assembled soft matter systems such as membrane-bounded lipid vesicles, which have sufficient structural plasticity to undergo growth and division. Steps towards inorganic protocells are being advanced, but self-reproduction in these more structurally robust micro-compartments has not been demonstrated. Here, a primitive form of growth and division involving inorganic colloidosomes (Pickering emulsions), comprising aqueous micro-droplets enclosed by an ultrathin membrane of silica nanoparticles, is shown. Growth of the colloidosomes is induced by organosilane-mediated methanol formation, and results in a localized rupture of the inorganic membrane followed by outgrowth and separation of a second-generation protocell, which is stabilized by de novo nanoparticle assembly. These observations provide a first step towards synthetic cell-like inorganic materials capable of chemically induced self-reproduction. PMID:24861579

  10. Recent advances in research applications of nanophase hydroxyapatite.

    PubMed

    Fox, Kate; Tran, Phong A; Tran, Nhiem

    2012-07-16

    Hydroxyapatite, the main inorganic material in natural bone, has been used widely for orthopaedic applications. Due to size effects and surface phenomena at the nanoscale, nanophase hydroxyapatite possesses unique properties compared to its bulk-phase counterpart. The high surface-to-volume ratio, reactivities, and biomimetic morphologies make nano-hydroxyapatite more favourable in applications such as orthopaedic implant coating or bone substitute filler. Recently, more efforts have been focused on the possibility of combining hydroxyapatite with other drugs and materials for multipurpose applications, such as antimicrobial treatments, osteoporosis treatments and magnetic manipulation. To build more effective nano-hydroxyapatite and composite systems, the particle synthesis processes, chemistry, and toxicity have to be thoroughly investigated. In this Minireview, we report the recent advances in research regarding nano-hydroxyapatite. Synthesis routes and a wide range of applications of hydroxyapatite nanoparticles will be discussed. The Minireview also addresses several challenges concerning the biosafety of the nanoparticles.

  11. Doing Chemistry at the Art/Archaeology Interface: 1996 Norris Award Address

    NASA Astrophysics Data System (ADS)

    Orna, Mary Virginia

    1997-04-01

    Justus von Liebig was one of the most vocal proponents of chemistry as the central science. He had a vision of chemistry as a discipline with shifting and overlapping boundaries with many fields, including biology, agriculture, and physics. However, it was not until the advent of scientific instrumentation enabling chemists to measure inorganic and organic materials on the nanogram level that the centrality of chemistry to art and archaeology was recognized. This talk is based on my own experience of that centrality.

  12. Combustion chemistry

    SciTech Connect

    Brown, N.J.

    1993-12-01

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

  13. 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.

  14. Surface chemistries for antibody microarrays

    SciTech Connect

    Seurynck-Servoss, Shannon L.; Baird, Cheryl L.; Rodland, Karin D.; Zangar, Richard C.

    2007-05-01

    Enzyme-linked immunosorbent assay (ELISA) microarrays promise to be a powerful tool for the detection of disease biomarkers. The original technology for printing ELISA microarray chips and capturing antibodies on slides was derived from the DNA microarray field. However, due to the need to maintain antibody structure and function when immobilized, surface chemistries used for DNA microarrays are not always appropriate for ELISA microarrays. In order to identify better surface chemistries for antibody capture, a number of commercial companies and academic research groups have developed new slide types that could improve antibody function in microarray applications. In this review we compare and contrast the commercially available slide chemistries, as well as highlight some promising recent advances in the field.

  15. Water Chemistry in Cometary Comae

    NASA Astrophysics Data System (ADS)

    Boice, D. C.

    2005-12-01

    Water chemistry is central in understanding the physics and chemistry of cometary comae. A rather advanced knowledge of water chemistry has been attained from studies of various comets via ground-based observations and in situ spacecraft measurements, especially the Giotto encounter with comet 1P/Halley. Photochemistry and the effects of photoelectrons that react via electron impact reactions, ion-molecule reactions, and the interaction with solar wind plasma are important processes that affect the overall composition and ionization state in the coma. However, initial results from the PEPE instrument onboard Deep Space 1 (DS1) concerning water-group ions around closest approach significantly differ from those expected from model results, challenging conventional notions. We have attempted to reconcile these differences in ion composition between the DS1 in situ measurements and model results with an extensive modeling investigation, unique from previous studies. This work should be relevant to past, on-going, and future spacecraft missions to comets.

  16. Why Teach Environmental Chemistry?

    ERIC Educational Resources Information Center

    Gardner, Marjorie H.

    1974-01-01

    Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

  17. Calcifying tissue regeneration via biomimetic materials chemistry

    PubMed Central

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

    2014-01-01

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

  18. Calcifying tissue regeneration via biomimetic materials chemistry.

    PubMed

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

    2014-12-01

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

  19. Inorganics

    SciTech Connect

    Qureshi, M.

    1986-01-01

    This comprehensive handbook is valuable when doing routine analysis or developing new methods of chromatography of organic materials. Section I presents the principles, techniques, quantitative determinations and detection methods used in chromatographic analysis. In the major part of the book, Section II summarizes data in voluminous tabular/graphic form on paper, thin layer, liquid and gas chromatography. Section III lists important books on electrophoresis, gel permeation chromatography, and ion exchange, in addition to the other forms of chromatography mentioned above.

  20. Interaction of inorganic anions with iron-mineral adsorbents in aqueous media--a review.

    PubMed

    Kumar, Eva; Bhatnagar, Amit; Hogland, William; Marques, Marcia; Sillanpää, Mika

    2014-01-01

    A number of inorganic anions (e.g., nitrate, fluoride, bromate, phosphate, and perchlorate) have been reported in alarming concentrations in numerous drinking water sources around the world. Their presence even in very low concentrations may cause serious environmental and health related problems. Due to the presence and significance of iron minerals in the natural aquatic environment and increasing application of iron in water treatment, the knowledge of the structure of iron and iron minerals and their interactions with aquatic pollutants, especially inorganic anions in water are of great importance. Iron minerals have been known since long as potential adsorbents for the removal of inorganic anions from aqueous phase. The chemistry of iron and iron minerals reactions in water is complex. The adsorption ability of iron and iron minerals towards inorganic anions is influenced by several factors such as, surface characteristics of the adsorbent (surface area, density, pore volume, porosity, pore size distribution, pHpzc, purity), pH of the solution, and ionic strength. Furthermore, the physico-chemical properties of inorganic anions (pore size, ionic radius, bulk diffusion coefficient) also significantly influence the adsorption process. The aim of this paper is to provide an overview of the properties of iron and iron minerals and their reactivity with some important inorganic anionic contaminants present in water. It also summarizes the usage of iron and iron minerals in water treatment technology.

  1. Survey of inorganic polymers. [for composite matrix resins

    NASA Technical Reports Server (NTRS)

    Gerber, A. H.; Mcinerney, E. F.

    1979-01-01

    A literature search was carried out in order to identify inorganic, metallo-organic, and hybrid inorganic-organic polymers that could serve as potential matrix resins for advanced composites. The five most promising candidates were critically reviewed and recommendations were made for the achievement of their potential in terms of performance and cost. These generic polymer classes comprise: (1) Poly(arylsil sesquioxanes); (2) Poly(silyl arylene siloxanes); (3) Poly(silarylenes); (4) Poly(silicon-linked ferrocenes); and (5) Poly(organo phosphazenes). No single candidate currently possesses the necessary combination of physicomechanical properties, thermal stability, processability, and favorable economics. The first three classes exhibit the best thermal performance. On the other hand, poly (organo phosphazenes), the most extensively studied polymer class, exhibit the best combination of structure-property control, processability, and favorable economics.

  2. Trace Chemistry

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, Krishnan; Whitefield, Philip

    1999-01-01

    The goals of the trace chemistry group were to identify the processes relevant to aerosol and aerosol precursor formation occurring within aircraft gas turbine engines; that is, within the combustor, turbine, and nozzle. The topics of discussion focused on whether the chemistry of aerosol formation is homogeneous or heterogeneous; what species are important for aerosol and aerosol precursor formation; what modeling/theoretical activities to pursue; what experiments to carry out that both support modeling activities and elucidate fundamental processes; and the role of particulates in aerosol and aerosol precursor formation. The consensus of the group was that attention should be focused on SO2, SO3, and aerosols. Of immediate concern is the measurement of the concentration of the species SO3, SO2, H2SO4 OH, HO2, H2O2, O, NO, NO2, HONO, HNO3, CO, and CO2 and particulates in various engines, both those currently in use and those in development. The recommendation was that concentration measurements should be made at both the combustor exit and the engine exit. At each location the above species were classified into one of four categories of decreasing importance, Priority I through IV, as follows: Combustor exit: Priority I species - SO3:SO2 ratio, SO3, SO2, and particulates; Priority II species: OH and O; Priority III species - NO and NO2; and Priority IV species - CO and CO2. For the Engine exit: Priority I species - SO3:SO2 ratio, SO3, SO2,H2SO4, and particulates; Priority II species: OH,HO2, H2O2, and O; Priority III species - NO, NO2, HONO, and HNO3; and Priority IV species - CO and CO2. Table I summarizes the anticipated concentration range of each of these species. For particulate matter, the quantities of interest are the number density, size distribution, and composition. In order to provide data for validating multidimensional reacting flow models, it would be desirable to make 2-D, time-resolved measurements of the concentrations of the above species and

  3. Inorganic Components of Atmospheric Aerosols

    NASA Astrophysics Data System (ADS)

    Wexler, Anthony Stein

    The inorganic components comprise 15% to 50% of the mass of atmospheric aerosols. For about the past 10 years the mass of these components was predicted assuming thermodynamic equilibrium between the volatile aerosol -phase inorganic species NH_4NO _3 and NH_4Cl and their gas-phase counterparts NH_3, HNO_3, and HCl. In this thesis I examine this assumption and prove that (1) the time scales for equilibration between the gas and aerosol phases are often too long for equilibrium to hold, and (2) even when equilibrium holds, transport considerations often govern the size distribution of these aerosol components. Water can comprise a significant portion of atmospheric aerosols under conditions of high relative humidity, whereas under conditions of sufficiently low relative humidity atmospheric aerosols tend to be dry. The deliquescence point is the relative humidity where the aerosol goes from a solid dry phase to an aqueous or mixed solid-aqueous phase. In this thesis I derive the temperature dependence of the deliquescence point and prove that in multicomponent solutions the deliquescence point is lower than for corresponding single component solutions. These theories of the transport, thermodynamic, and deliquescent properties of atmospheric aerosols are integrated into an aerosol inorganics model, AIM. The predictions of AIM compare well to fundamental thermodynamic measurements. Comparison of the prediction of AIM to those of other aerosol equilibrium models shows substantial disagreement in the predicted water content at lower relative humidities. The disagreement is due the improved treatment in AIM of the deliquescence properties of multicomponent solutions. In the summer and fall of 1987 the California Air Resources Board conducted the Southern California Air Quality Study, SCAQS, during which atmospheric aerosols were measured in Los Angeles. The size and composition of the aerosol and the concentrations of their gas phase counterparts were measured. When the

  4. Inorganic Nanoparticles in Cancer Therapy

    PubMed Central

    Bhattacharyya, Sanjib; Kudgus, Rachel A.; Bhattacharya, Resham; Mukherjee, Priyabrata

    2011-01-01

    Nanotechnology is an evolving field with enormous potential for biomedical applications. The growing interest to use inorganic nanoparticles in medicine is due to the unique size and shape-dependent optoelectronic properties. Herein, we will focus on gold, silver and platinum nanoparticles, discussing recent developments for therapeutic applications with regard to cancer in terms of nanoparticles being used as a delivery vehicle as well as therapeutic agents. We will also discuss some of the key challenges to be addressed in future studies. PMID:21104301

  5. The inorganic constituents of echinoderms

    USGS Publications Warehouse

    Clarke, F.W.; Wheeler, W.C.

    1915-01-01

    In a recent paper on the composition of crinoid skeletons we showed that crinoids contain large quantities of magnesia, and that its proportion varies with the temperature of the water in which the creatures live. This result was so novel and surprising that it seemed desirable to examine other echinoderms and to ascertain whether they showed the same characteristics and regularity. A number of sea urchins and starfishes were therefore studied, their inorganic constituents being analyzed in the same manner as those of the crinoids

  6. Development of advanced macrosphelides: potent anticancer agents.

    PubMed

    Paek, Seung-Mann

    2015-01-01

    Synthetic approaches to macrosphelide derivatives, based on medicinal chemistry, are summarized. This review contains conventional medicinal chemistry approaches, combinatorial chemistry, fluorous tagging techniques and affinity chromatography preparation. In addition, advances in their apoptosis-inducing activities are also included. PMID:25764486

  7. Selected new developments in computational chemistry.

    PubMed Central

    Darden, T A; Bartolotti, L; Pedersen, L G

    1996-01-01

    Molecular dynamics is a general technique for simulating the time-dependent properties of molecules and their environments. Quantum mechanics, as applied to molecules or clusters of molecules, provides a prescription for predicting properties exactly (in principle). It is reasonable to expect that both will have a profound effect on our understanding of environmental chemistry in the future. In this review, we consider several recent advances and applications in computational chemistry. Images Figure 1. PMID:8722111

  8. Synthesis, Processing, and Characterization of Inorganic-Organic Hybrid Cross-Linked Silica, Organic Polyimide, and Inorganic Aluminosilicate Aerogels

    NASA Technical Reports Server (NTRS)

    Nguyen, Baochau N.; Guo, Haiquan N.; McCorkle, Linda S.

    2014-01-01

    As aerospace applications become ever more demanding, novel insulation materials with lower thermal conductivity, lighter weight and higher use temperature are required to fit the aerospace application needs. Having nanopores and high porosity, aerogels are superior thermal insulators, among other things. The use of silica aerogels in general is quite restricted due to their inherent fragility, hygroscopic nature, and poor mechanical properties, especially in extereme aerospace environments. Our research goal is to develop aerogels with better mechanical and environmental stability for a variety of aeronautic and space applications including space suit insulation for planetary surface missions, insulation for inflatable structures for habitats, inflatable aerodynamic decelerators for entry, descent and landing (EDL) operations, and cryotank insulation for advance space propulsion systems. Different type of aerogels including organic-inorganic polymer reinforced (hybrid) silica-based aerogels, polyimide aerogels and inorganic aluminosilicate aerogels have been developed and examined.

  9. Reactivity I: A Foundation-Level Course for Both Majors and Nonmajors in Integrated Organic, Inorganic, and Biochemistry

    ERIC Educational Resources Information Center

    Schaller, Chris P.; Graham, Kate J.; Johnson, Brian J.; Jones, T. Nicholas; McIntee, Edward J.

    2015-01-01

    A foundation level course is presented that integrates aspects of organic, inorganic and biochemistry in the context of reactivity. The course was designed to serve majors in chemistry and other sciences (biochemistry, biology, nutrition), as well as nursing and pre-health professions students. Themes of the course were designed to highlight a…

  10. Teaching Inorganic Photophysics and Photochemistry with Three Ruthenium(II) Polypyridyl Complexes: A Computer-Based Exercise

    ERIC Educational Resources Information Center

    Garino, Claudio; Terenzi, Alessio; Barone, Giampaolo; Salassa, Luca

    2016-01-01

    Among computational methods, DFT (density functional theory) and TD-DFT (time-dependent DFT) are widely used in research to describe, "inter alia," the optical properties of transition metal complexes. Inorganic/physical chemistry courses for undergraduate students treat such methods, but quite often only from the theoretical point of…

  11. Irrigation Practice Affects Soil Phosphorus Chemistry

    NASA Astrophysics Data System (ADS)

    Ippolito, J.; Bjorneberg, D.

    2011-12-01

    It is expected, given the same water source applied to the same soil, that changes in soil chemistry would be subtle when comparing furrow and sprinkler irrigation practices. From four paired fields, we collected soil (after similar crops were harvested in September) from the 0-5 cm depth. Samples were analyzed for changes in soil P chemistry due to sprinkler or furrow irrigation using: 1) the Olsen soil test P extraction; 2) the alkaline phosphatase enzyme assay; 3) a sequential extraction technique which fractionated inorganic and organic soil P pools; and 4) a measure of the amorphous soil Al and Fe mineral phases. Olsen-extractable soil P was lower under sprinkler irrigation; however, this was not due to a reduction in microbial phosphatase activity. Soils under sprinkler irrigation contained lower inorganic P concentrations in soluble/Al-bound/Fe-bound and in the occluded phases, lesser amounts of organic P present in the moderately labile and non-labile fractions, and contained lower amorphous Fe concentrations. These results indicate that the method of water application affects soil chemistry and nutrient cycling.

  12. Biomineralization of unicellular organisms: an unusual membrane biochemistry for the production of inorganic nano- and microstructures.

    PubMed

    Bäuerlein, Edmund

    2003-02-10

    With evolution, Nature has ingeniously succeeded in giving rise to an impressive variety of inorganic structures. Every organism that synthesizes biogenic minerals does so in a form that is unique to that species. This biomineralization is apparently biologically controlled. It is thus expected that both the synthesis and the form of every specific biogenic mineral is genetically determined and controlled. An investigation of the mechanism of biomineralization has only become possible with the development of modern methods in molecular biology. Unicellular organisms such as magnetic bacteria, calcareous algae, and diatoms, all of which are amongst the simplest forms of life, are particularly suited to be investigated by these methods. Crystals and composites of proteins and amorphous inorganic polymers are formed as complex structures within these organisms; these structures are not known in conventional inorganic chemistry.

  13. The Dynamic Organic/Inorganic Interface of Colloidal PbS Quantum Dots.

    PubMed

    Grisorio, Roberto; Debellis, Doriana; Suranna, Gian Paolo; Gigli, Giuseppe; Giansante, Carlo

    2016-06-01

    Colloidal quantum dots are composed of nanometer-sized crystallites of inorganic semiconductor materials bearing organic molecules at their surface. The organic/inorganic interface markedly affects forms and functions of the quantum dots, therefore its description and control are important for effective application. Herein we demonstrate that archetypal colloidal PbS quantum dots adapt their interface to the surroundings, thus existing in solution phase as equilibrium mixtures with their (metal-)organic ligand and inorganic core components. The interfacial equilibria are dictated by solvent polarity and concentration, show striking size dependence (leading to more stable ligand/core adducts for larger quantum dots), and selectively involve nanocrystal facets. This notion of ligand/core dynamic equilibrium may open novel synthetic paths and refined nanocrystal surface-chemistry strategies.

  14. The Dynamic Organic/Inorganic Interface of Colloidal PbS Quantum Dots.

    PubMed

    Grisorio, Roberto; Debellis, Doriana; Suranna, Gian Paolo; Gigli, Giuseppe; Giansante, Carlo

    2016-06-01

    Colloidal quantum dots are composed of nanometer-sized crystallites of inorganic semiconductor materials bearing organic molecules at their surface. The organic/inorganic interface markedly affects forms and functions of the quantum dots, therefore its description and control are important for effective application. Herein we demonstrate that archetypal colloidal PbS quantum dots adapt their interface to the surroundings, thus existing in solution phase as equilibrium mixtures with their (metal-)organic ligand and inorganic core components. The interfacial equilibria are dictated by solvent polarity and concentration, show striking size dependence (leading to more stable ligand/core adducts for larger quantum dots), and selectively involve nanocrystal facets. This notion of ligand/core dynamic equilibrium may open novel synthetic paths and refined nanocrystal surface-chemistry strategies. PMID:27038221

  15. Inorganic Phosphor Materials for Lighting.

    PubMed

    Lin, Yuan-Chih; Karlsson, Maths; Bettinelli, Marco

    2016-04-01

    This chapter addresses the development of inorganic phosphor materials capable of converting the near UV or blue radiation emitted by a light emitting diode to visible radiation that can be suitably combined to yield white light. These materials are at the core of the new generation of solid-state lighting devices that are emerging as a crucial clean and energy saving technology. The chapter introduces the problem of white light generation using inorganic phosphors and the structure-property relationships in the broad class of phosphor materials, normally containing lanthanide or transition metal ions as dopants. Radiative and non-radiative relaxation mechanisms are briefly described. Phosphors emitting light of different colors (yellow, blue, green, and red) are described and reviewed, classifying them in different chemical families of the host (silicates, phosphates, aluminates, borates, and non-oxide hosts). This research field has grown rapidly and is still growing, but the discovery of new phosphor materials with optimized properties (in terms of emission efficiency, chemical and thermal stability, color, purity, and cost of fabrication) would still be of the utmost importance. PMID:27573146

  16. Research on geothermal chemistry and advanced instrumentation

    NASA Astrophysics Data System (ADS)

    Robertus, R. J.; Shannon, D. W.; Sullivan, R. G.; Kindle, C. H.; Pool, K. H.

    1985-09-01

    Research at the Pacific Northwest Laboratory (PNL) focuses on long-term geothermal power plant reliability. Past work concentrated on development of continuous high-temperature probes for monitoring process variables. PNL also completed a comprehensive handbook of brine treatment processes as they relate to injection well longevity. A recently completed study analyzed corrosion in the hydrocarbon system of a binary cycle plant. Over the two-year monitoring period, corrosion rates were less than 1 MPY in any part of the hydrocarbon system. The system was kept completely dry so the rates seem reasonable. Present projects include: (1) determination of gas breakout conditions at the Herber Binary Demonstration Plant operated by San Diego Gas and Electric Company; (2) generation of water mixing solubility data; (3) installation of prototype leak detectors at the Herber Plant; and (4) evaluation of state-of-the-art particle counters.

  17. Advances in chemistry applied to forensic science.

    PubMed

    Rendle, David F

    2005-12-01

    Acts of terrorism, an increase in the use of firearms, drug abuse, the use of so-called date-rape drugs, and driving whilst under the influence of drugs, are just some of the subjects frequently in the news. In the absence of fingermarks and of material leading to the recovery of DNA, the forensic scientist has to rely upon chemical analysis of trace amounts of materials including explosives, drugs, toxicological specimens, firearms discharge residues, fibres, glass, paint, soil etc., in order to establish or eliminate links between suspect and victim and/or scene. This tutorial review describes analytical problems facing the forensic chemist, and the current methods and techniques employed to tackle them. PMID:16284668

  18. Recent advances in planar tetracoordinate carbon chemistry.

    PubMed

    Merino, Gabriel; Méndez-Rojas, Miguel A; Vela, Alberto; Heine, Thomas

    2007-01-15

    We summarize our contributions on the quest of new planar tetracoordinate carbon entities (new carbon molecules with exotic chemical structures and strange bonding schemes). We give special emphasis on the rationalization why in this type of molecules the planar configuration is favored over the tetrahedral one. We will concentrate on the latter and will show that molecules containing planar tetracoordinate carbons have a stabilizing system of delocalized pi electrons, which shows similar properties as pi systems in aromatic molecules.

  19. NEW ADVANCES IN BORON SOIL CHEMISTRY

    EPA Science Inventory

    Boron is an essential plant micronutrient for which the range between deficiency and toxicity is narrower than for any other nutrient element. Plants respond directly to the amount of B in soil solution and only indirectly to the amount of B adsorbed on soil particle surfaces. ...

  20. Nuffield Advanced Chemistry Courses Topic 10

    ERIC Educational Resources Information Center

    Education in Science, 1975

    1975-01-01

    Presents an alternative series of investigations replacing the propanone-trichloromethane system (Topic 10) in the Nuffield A-Level course. A trichloromethane-ethyl ethanoate (acetate) system presented in four experiments give good results and removed the dangers arising from the other system. Topic 10 need not be re-written, just the replacement…

  1. Advances in Non-Aqueous Chemistry

    ERIC Educational Resources Information Center

    Holliday, A. K.; Nicholls, D.

    1974-01-01

    A discussion concerning the choice of solvents for a chemical reaction is followed by an examination of the advantages of using liquid ammonia, oxide solvents, and molten salts as alternatives to water as a solvent. (DT)

  2. NEW ADVANCES IN BORON SOIL CHEMISTRY - Paper

    EPA Science Inventory

    Boron is an essential plant micronutrient for which the range between deficiency and toxicity is narrower than for any other nutrient element. Plants respond directly to the amount of B in soil solution and only indirectly to the amount of B adsorbed on soil particle surfaces. ...

  3. Advanced Physical Chemistry of Carbon Nanotubes

    NASA Astrophysics Data System (ADS)

    Li, Jun; Pandey, Gaind P.

    2015-04-01

    The past decade has seen a surge of exciting research and applications of carbon nanotubes (CNTs) stimulated by deeper understanding of their fundamental properties and increasing production capability. The intrinsic properties of various CNTs were found to strongly depend on their internal microstructures. This review summarizes the fundamental structure-property relations of seamless tube-like single- and multiwalled CNTs and conically stacked carbon nanofibers, as well as the organized architectures of these CNTs (including randomly stacked thin films, parallel aligned thin films, and vertically aligned arrays). It highlights the recent development of CNTs as key components in selected applications, including nanoelectronics, filtration membranes, transparent conductive electrodes, fuel cells, electrical energy storage devices, and solar cells. Particular emphasis is placed on the link between the basic physical chemical properties of CNTs and the organized CNT architectures with their functions and performance in each application.

  4. Advanced Undergraduate Experiments in Thermoanalytical Chemistry.

    ERIC Educational Resources Information Center

    Hill, J. O.; Magee, R. J.

    1988-01-01

    Describes several experiments using the techniques of thermal analysis and thermometric titrimetry. Defines thermal analysis and several recent branches of the technique. Notes most of the experiments use simple equipment and standard laboratory techniques. (MVL)

  5. Biodegradable and Renal Clearable Inorganic Nanoparticles

    PubMed Central

    Ehlerding, Emily B.; Chen, Feng; Cai, Weibo

    2016-01-01

    Personalized treatment plans for cancer therapy have been at the forefront of oncology research for many years. With the advent of many novel nanoplatforms, this goal is closer to realization today than ever before. Inorganic nanoparticles hold immense potential in the field of nano-oncology, but have considerable toxicity concerns that have limited their translation to date. In this review, an overview of emerging biologically safe inorganic nanoplatforms is provided, along with considerations of the challenges that need to be overcome for cancer theranostics with inorganic nanoparticles to become a reality. The clinical and preclinical studies of both biodegradable and renal clearable inorganic nanoparticles are discussed, along with their implications. PMID:27429897

  6. Biodegradable and Renal Clearable Inorganic Nanoparticles

    PubMed Central

    Ehlerding, Emily B.

    2015-01-01

    Personalized treatment plans for cancer therapy have been at the forefront of oncology research for many years. With the advent of many novel nanoplatforms, this goal is closer to realization today than ever before. Inorganic nanoparticles hold immense potential in the field of nano‐oncology, but have considerable toxicity concerns that have limited their translation to date. In this review, an overview of emerging biologically safe inorganic nanoplatforms is provided, along with considerations of the challenges that need to be overcome for cancer theranostics with inorganic nanoparticles to become a reality. The clinical and preclinical studies of both biodegradable and renal clearable inorganic nanoparticles are discussed, along with their implications. PMID:27429897

  7. Towards a chemistry of cohesion and adhesion

    NASA Astrophysics Data System (ADS)

    Eberhart, M. E.; Donovan, M. M.; MacLaren, J. M.; Clougherty, D. P.

    Modern chemistry frequently describes the structure and reaction dynamics of molecules in terms of the general principle of “competition for bonds”; consequently, bonding forms the basis of the language of chemistry. The actual models used to represent these bonds are frequently system specific. Organic reactions are described in terms of bonds based on pairs of atomic valence electrons. Reactions of inorganic coordination complexes are described in terms of bonds based on a molecular orbital representation. In analogy to those chemistries, a representation for a bond and bond strength, suitable for describing the cohesive and adhesive properties of all classes of materials, is introduced. This representation proves to yield an explanation for the observed cohesive properties of a specific class of materials (cleavage in bcc metals), and it also provides a framework for exploring and analyzing the more complex phenomena of cohesion and adhesion, such as environmentally-induced embrittlement. A complete chemistry of cohesion and adhesion will require the demonstration that the specific bonding model used can form the basis for consistent interpretations for a wealth of experimental phenomena beyond environmentally-induced embrittlement; thus, as presented, this model does not provide a complete chemistry of cohesion and adhesion, but does embody the first steps in that direction.

  8. Inorganic polymers and materials. Final report

    SciTech Connect

    Sneddon, Larry G.

    2001-01-01

    This DOE-sponsored project was focused on the design, synthesis, characterization, and applications of new types of boron and silicon polymers with a goal of attaining processable precursors to advanced ceramic materials of technological importance. This work demonstrated a viable design strategy for the systematic formation of polymeric precursors to ceramics based on the controlled functionalization of preformed polymers with pendant groups of suitable compositions and crosslinking properties. Both the new dipentylamine-polyborazylene and pinacolborane-hydridopolysilazane polymers, unlike the parent polyborazylene and other polyborosilazanes, are stable as melts and can be easily spun into polymer fibers. Subsequent pyrolyses of these polymer fibers then provide excellent routes to BN and SiNCB ceramic fibers. The ease of synthesis of both polymer systems suggests new hybrid polymers with a range of substituents appended to polyborazylene or polysilazane backbones, as well as other types of preceramic polymers, should now be readily achieved, thereby allowing even greater control over polymer and ceramic properties. This control should now enable the systematic tailoring of the polymers and derived ceramics for use in different technological applications. Other major recent achievements include the development of new types of metal-catalyzed methods needed for the polymerization and modification of inorganic monomers and polymers, and the modification studies of polyvinylsiloxane and related polymers with substituents that enable the formation of single source precursors to high-strength, sintered SiC ceramics.

  9. Inorganic nanofluorides and related nanocomposites

    NASA Astrophysics Data System (ADS)

    Kuznetsov, Sergei V.; Osiko, Vyacheslav V.; Tkatchenko, E. A.; Fedorov, Pavel P.

    2006-12-01

    The properties and prospects of application of fluoride nanoparticles are discussed. Pyrohydrolysis is considered as the key process determining the chemistry and technology of fluorides; its role increases on going to the nanosize region. The physical and chemical methods for the synthesis of fluoride nanoparticles, one- and two-dimensional nanoobjects as well as approaches to the preparation of nanocomposites (glass ceramics, heterovalent solid solutions with defect clusters, eutectoid composites, etc.) are analysed. Nanotechnology techniques used to produce heterogeneous nanoobjects are outlined.

  10. The Virtual ChemLab Project: A Realistic and Sophisticated Simulation of Inorganic Qualitative Analysis

    NASA Astrophysics Data System (ADS)

    Woodfield, Brian F.; Catlin, Heidi R.; Waddoups, Gregory L.; Moore, Melissa S.; Swan, Richard; Allen, Rob; Bodily, Greg

    2004-11-01

    We have created a set of sophisticated and realistic laboratory simulations for use in freshman- and sophomore-level chemistry classes and laboratories called Virtual ChemLab. We have completed simulations for Inorganic Qualitative Analysis, Organic Synthesis and Organic Qualitative Analysis, Experiments in Quantum Chemistry, Gas Properties, Titration Experiments, and Calorimetric and Thermochemical Experiments. The purpose of our simulations is to reinforce concepts taught in the classroom, provide an environment for creative learning, and emphasize the thinking behind instructional laboratory experiments. We have used the inorganic simulation extensively with thousands of students in our department at Brigham Young University. We have learned from our evaluation that: (i) students enjoy using these simulations and find them to be an asset in learning effective problem-solving strategies, (ii) students like the fact that they can both reproduce experimental procedures and explore various topics in ways they choose, and (iii) students naturally divide themselves into two groups: creative learners, who excel in an open-ended environment of virtual laboratories, and structured learners, who struggle in this same environment. In this article, we describe the Inorganic Qualitative Analysis simulation; we also share specific evaluation findings from using the inorganic simulation in classroom and laboratory settings.

  11. Advances in Inorganic Scintillation Detectors for Geophysical Applications

    SciTech Connect

    Julie L. Champlin; Carlos M. Grodsinsky; William D. Sekela

    1998-12-31

    The ability to distinguish between geological formations and the change from one formation to another is crucial to the oil exploration and well logging industry. These changes are distinguished by the use of gamma-ray measurements, which detect the radioactive isotope combinations of potassium, thorium, and uranium present in the rock and fluid of these geological formations. A gamma radiation detector consisting of a sodium iodide crystal optically coupled to a photomultiplier tube is used for making these measurements. Because of the harsh environment seen while down hole, these detectors must be rugged in order to survive and perform under the conditions of extreme temperature, shock, and vibration. The two main geophysical applications designed for are wireline and measurement-while-drilling (MWD) environments. Three major product designs that fall under these environmental survival and performance criteria are discussed.

  12. Exploring Undergraduates' Understanding of Transition Metals Chemistry with the Use of Cognitive and Confidence Measures

    ERIC Educational Resources Information Center

    Sreenivasulu, Bellam; Subramaniam, R.

    2014-01-01

    Compared to studies on school students' understanding of various topics in the sciences, studies involving university students have received relatively less attention in the science education literature. In this study, we investigated university students' understanding of transition metals chemistry, a topic in inorganic chemistry, which…

  13. Mono- and binuclear non-heme iron chemistry from a theoretical perspective.

    PubMed

    Rokob, Tibor András; Chalupský, Jakub; Bím, Daniel; Andrikopoulos, Prokopis C; Srnec, Martin; Rulíšek, Lubomír

    2016-09-01

    In this minireview, we provide an account of the current state-of-the-art developments in the area of mono- and binuclear non-heme enzymes (NHFe and NHFe2) and the smaller NHFe(2) synthetic models, mostly from a theoretical and computational perspective. The sheer complexity, and at the same time the beauty, of the NHFe(2) world represents a challenge for experimental as well as theoretical methods. We emphasize that the concerted progress on both theoretical and experimental side is a conditio sine qua non for future understanding, exploration and utilization of the NHFe(2) systems. After briefly discussing the current challenges and advances in the computational methodology, we review the recent spectroscopic and computational studies of NHFe(2) enzymatic and inorganic systems and highlight the correlations between various experimental data (spectroscopic, kinetic, thermodynamic, electrochemical) and computations. Throughout, we attempt to keep in mind the most fascinating and attractive phenomenon in the NHFe(2) chemistry, which is the fact that despite the strong oxidative power of many reactive intermediates, the NHFe(2) enzymes perform catalysis with high selectivity. We conclude with our personal viewpoint and hope that further developments in quantum chemistry and especially in the field of multireference wave function methods are needed to have a solid theoretical basis for the NHFe(2) studies, mostly by providing benchmarking and calibration of the computationally efficient and easy-to-use DFT methods.

  14. Mono- and binuclear non-heme iron chemistry from a theoretical perspective.

    PubMed

    Rokob, Tibor András; Chalupský, Jakub; Bím, Daniel; Andrikopoulos, Prokopis C; Srnec, Martin; Rulíšek, Lubomír

    2016-09-01

    In this minireview, we provide an account of the current state-of-the-art developments in the area of mono- and binuclear non-heme enzymes (NHFe and NHFe2) and the smaller NHFe(2) synthetic models, mostly from a theoretical and computational perspective. The sheer complexity, and at the same time the beauty, of the NHFe(2) world represents a challenge for experimental as well as theoretical methods. We emphasize that the concerted progress on both theoretical and experimental side is a conditio sine qua non for future understanding, exploration and utilization of the NHFe(2) systems. After briefly discussing the current challenges and advances in the computational methodology, we review the recent spectroscopic and computational studies of NHFe(2) enzymatic and inorganic systems and highlight the correlations between various experimental data (spectroscopic, kinetic, thermodynamic, electrochemical) and computations. Throughout, we attempt to keep in mind the most fascinating and attractive phenomenon in the NHFe(2) chemistry, which is the fact that despite the strong oxidative power of many reactive intermediates, the NHFe(2) enzymes perform catalysis with high selectivity. We conclude with our personal viewpoint and hope that further developments in quantum chemistry and especially in the field of multireference wave function methods are needed to have a solid theoretical basis for the NHFe(2) studies, mostly by providing benchmarking and calibration of the computationally efficient and easy-to-use DFT methods. PMID:27229513

  15. Computational chemistry research

    NASA Technical Reports Server (NTRS)

    Levin, Eugene

    1987-01-01

    Task 41 is composed of two parts: (1) analysis and design studies related to the Numerical Aerodynamic Simulation (NAS) Extended Operating Configuration (EOC) and (2) computational chemistry. During the first half of 1987, Dr. Levin served as a member of an advanced system planning team to establish the requirements, goals, and principal technical characteristics of the NAS EOC. A paper entitled 'Scaling of Data Communications for an Advanced Supercomputer Network' is included. The high temperature transport properties (such as viscosity, thermal conductivity, etc.) of the major constituents of air (oxygen and nitrogen) were correctly determined. The results of prior ab initio computer solutions of the Schroedinger equation were combined with the best available experimental data to obtain complete interaction potentials for both neutral and ion-atom collision partners. These potentials were then used in a computer program to evaluate the collision cross-sections from which the transport properties could be determined. A paper entitled 'High Temperature Transport Properties of Air' is included.

  16. 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)

  17. Applications of Inorganic Photochemistry in the Chemical and Biological Sciences - Contemporary Developments

    NASA Astrophysics Data System (ADS)

    Schanze, Kirk S.; Schmehl, Russell H.

    1997-06-01

    In the early 1980s this Journal published a series of "State of The Art" issues, in which pedagogical articles discussing basic principles and recent advances in a variety of chemical subdisciplines were gathered. One of these dealt with advances in inorganic photochemistry (1). The issue was based upon a symposium organized by Morton Hoffman of Boston University and held at the Seattle meeting of the American Chemical Society in 1983. The articles published in the Journal provide an excellent introduction to the basic principles of spectroscopy and photophysics of inorganic molecules as well as a discussion of the hotochemistry of particular molecular systems being actively investigated at the time. The collection of articles remains to this day an excellent resource to introduce students to the concepts of inorganic photochemistry.

  18. Inorganic dual-layer microporous supported membranes

    DOEpatents

    Brinker, C. Jeffrey; Tsai, Chung-Yi; Lu, Yungfeng

    2003-03-25

    The present invention provides for a dual-layer inorganic microporous membrane capable of molecular sieving, and methods for production of the membranes. The inorganic microporous supported membrane includes a porous substrate which supports a first inorganic porous membrane having an average pore size of less than about 25 .ANG. and a second inorganic porous membrane coating the first inorganic membrane having an average pore size of less than about 6 .ANG.. The dual-layered membrane is produced by contacting the porous substrate with a surfactant-template polymeric sol, resulting in a surfactant sol coated membrane support. The surfactant sol coated membrane support is dried, producing a surfactant-templated polymer-coated substrate which is calcined to produce an intermediate layer surfactant-templated membrane. The intermediate layer surfactant-templated membrane is then contacted with a second polymeric sol producing a polymeric sol coated substrate which is dried producing an inorganic polymeric coated substrate. The inorganic polymeric coated substrate is then calcined producing an inorganic dual-layered microporous supported membrane in accordance with the present invention.

  19. 29 CFR 1926.1118 - Inorganic arsenic.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 29 Labor 8 2011-07-01 2011-07-01 false Inorganic arsenic. 1926.1118 Section 1926.1118 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... Inorganic arsenic. Note: The requirements applicable to construction work under this section are...

  20. 29 CFR 1926.1118 - Inorganic arsenic.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 29 Labor 8 2012-07-01 2012-07-01 false Inorganic arsenic. 1926.1118 Section 1926.1118 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... Inorganic arsenic. Note: The requirements applicable to construction work under this section are...