WorldWideScience

Sample records for bases chemistry

  1. Theme-Based Bidisciplinary Chemistry Laboratory Modules

    Science.gov (United States)

    Leber, Phyllis A.; Szczerbicki, Sandra K.

    1996-12-01

    A thematic approach to each of the two introductory chemistry laboratory sequences, general and organic chemistry, not only provides an element of cohesion but also stresses the role that chemistry plays as the "central science" and emphasizes the intimate link between chemistry and other science disciplines. Thus, in general chemistry the rubric "Environmental Chemistry" affords connections to the geosciences, whereas experiments on the topic of "Plant Assays" bridge organic chemistry and biology. By establishing links with other science departments, the theme-based laboratory experiments will satisfy the following multidisciplinary criteria: (i) to demonstrate the general applicability of core methodologies to the sciences, (ii) to help students relate concepts to a broader multidisciplinary context, (iii) to foster an attitude of both independence and cooperation that can transcend the teaching laboratory to the research arena, and (iv) to promote greater cooperation and interaction between the science departments. Fundamentally, this approach has the potential to impact the chemistry curriculum significantly by including student decision-making in the experimental process. Furthermore, the incorporation of GC-MS, a powerful tool for separation and identification as well as a state-of-the-art analytical technique, in the modules will enhance the introductory general and organic chemistry laboratory sequences by making them more instrument-intensive and by providing a reliable and reproducible means of obtaining quantitative analyses. Each multifaceted module has been designed to meet the following criteria: (i) a synthetic protocol including full spectral characterization of products, (ii) quantitative and statistical analyses of data, and (iii) construction of a database of results. The database will provide several concrete functions. It will foster the idea that science is a continuous incremental process building on the results of earlier experimentalists

  2. Using Art-Based Chemistry Activities to Improve Students' Conceptual Understanding in Chemistry

    Science.gov (United States)

    Danipog, Dennis L.; Ferido, Marlene B.

    2011-01-01

    This study aimed to determine the effects of art-based chemistry activities (ABCA) on high school students' conceptual understanding in chemistry. The study used the pretest-posttest control group design. A total of 64 third-year high school students from two different chemistry classes participated in the study. One class was exposed to art-based…

  3. Theme-Based Bidisciplinary Chemistry Laboratory Modules

    Science.gov (United States)

    Leber, Phyllis A.; Szczerbicki, Sandra K.

    1996-12-01

    A thematic approach to each of the two introductory chemistry laboratory sequences, general and organic chemistry, not only provides an element of cohesion but also stresses the role that chemistry plays as the "central science" and emphasizes the intimate link between chemistry and other science disciplines. Thus, in general chemistry the rubric "Environmental Chemistry" affords connections to the geosciences, whereas experiments on the topic of "Plant Assays" bridge organic chemistry and biology. By establishing links with other science departments, the theme-based laboratory experiments will satisfy the following multidisciplinary criteria: (i) to demonstrate the general applicability of core methodologies to the sciences, (ii) to help students relate concepts to a broader multidisciplinary context, (iii) to foster an attitude of both independence and cooperation that can transcend the teaching laboratory to the research arena, and (iv) to promote greater cooperation and interaction between the science departments. Fundamentally, this approach has the potential to impact the chemistry curriculum significantly by including student decision-making in the experimental process. Furthermore, the incorporation of GC-MS, a powerful tool for separation and identification as well as a state-of-the-art analytical technique, in the modules will enhance the introductory general and organic chemistry laboratory sequences by making them more instrument-intensive and by providing a reliable and reproducible means of obtaining quantitative analyses. Each multifaceted module has been designed to meet the following criteria: (i) a synthetic protocol including full spectral characterization of products, (ii) quantitative and statistical analyses of data, and (iii) construction of a database of results. The database will provide several concrete functions. It will foster the idea that science is a continuous incremental process building on the results of earlier experimentalists

  4. Integrating UNESCO ICT-Based Instructional Materials in Chemistry Lessons

    OpenAIRE

    CHARLIE P. NACARIO

    2014-01-01

    This study determined the effectiveness of the lessons in Chemistry integrating UNESCO ICT-based instructional material on the achievement of Chemistry students at Central Bicol State University of Agriculture. It aimed to identify lessons that may be developed integrating UNESCO ICT-based instructional materials, determine the effect of the developed lessons using the material on: conceptual understanding; science process skills; and attitude towards chemistry and gather insights...

  5. The Intelligent CAI System for Chemistry Based on Automated Reasoning

    Institute of Scientific and Technical Information of China (English)

    王晓京; 张景中

    1999-01-01

    A new type of intelligent CAI system for chemistry is developed in this paper based on automated reasoning with chemistry knowledge.The system has shown its ability to solve chemistry problems,to assist students and teachers in studies and instruction with the automated reasoning functions.Its open mode of the knowledge base and its unique style of the interface between the system and human provide more opportunities for the users to acquire living knowledge through active participation.The automated reasoning based on basic chemistry knowledge also opened a new approach to the information storage and management of the ICAI system for sciences.

  6. Iron-based superconductors via soft chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Friederichs, Gina Maya

    2015-06-30

    This thesis provides new soft chemistry approaches to Fe-based superconductors. Mild syntheses were demonstrated to be able to overcome difficulties, occurring in conventional synthesis and to enable the access to new metastable phases. A solvent-based metathesis reaction led to β-FeSe exclusively. Contrary to solid state syntheses, the formation of hexagonal α-FeSe could be avoided under mild conditions. The deintercalation of interstitial Fe (by formation of Fe{sub 3}O{sub 4}) could be proven by low temperature O{sub 2}-annealing of Fe{sub 1+x}Te{sub 1-y}Se{sub y}. By using redox (de)intercalations K{sub 1-x}Fe{sub 2-y}Se{sub 2}, metastable Na{sub 1-x}Fe{sub 2-y}As{sub 2} and Na{sub 1-x}((Fe{sub 1-y}Co{sub y}){sub 1-z}As){sub 2} could successfully be obtained at room temperature. The mild synthesis conditions led to compounds like FeSe and K{sub 1-x}Fe{sub 2-y}Se{sub 2} which exhibited different physical properties than found by conventional high temperature methods. In general, the developed (de)intercalation reactions represent a new, universally applicable tool in order to manipulate the structure along with the properties of Fe-based superconductors. The basic structural features of the characteristic FeX{sub 4/4} tetrahedral layers, however, are preserved. Soft chemistry syntheses have been shown to allow the formation of a variety of phases, like Na{sub 1-x}Fe{sub 2-y}As{sub 2}, Na{sub 1-x}((Fe{sub 1-y}Co{sub y}){sub 1-z}As){sub 2} and K{sub 1-x}Fe{sub 2-y}Se{sub 2}. Hence, especially low temperature approaches may enable the realization of complex stacking sequences, potentially leading to the fulfillment of the greatest goal in the research of superconductors - room temperature superconductivity.

  7. Facilitating Chemistry Teachers to Implement Inquiry-Based Laboratory Work

    Science.gov (United States)

    Cheung, Derek

    2008-01-01

    Science teachers generally find inquiry-based laboratory work very difficult to manage. This research project aimed at facilitating chemistry teachers to implement inquiry-based laboratory work in Hong Kong secondary schools. The major concerns of seven chemistry teachers were identified. They were most concerned about the lack of class time,…

  8. Connecting Acids and Bases with Encapsulation... and Chemistry with Nanotechnology

    Science.gov (United States)

    Criswell, Brett

    2007-01-01

    The features and the development of various new acids and bases activity sets that combines chemistry with nanotechnology are being described. These sets lead to the generation of many nanotechnology-based pharmaceuticals for the treatment of various diseases.

  9. Implementation of Problem-Based Learning in Environmental Chemistry

    Science.gov (United States)

    Jansson, Stina; So¨derstro¨m, Hanna; Andersson, Patrik L.; Nording, Malin L.

    2015-01-01

    Environmental Chemistry covers a range of topics within the discipline of chemistry, from toxicology to legislation, which warrants interdisciplinary study. Consequently, problem-based learning (PBL), a style of student-centered learning which facilitates the integration of multiple subjects, was investigated to determine if it would be a more…

  10. An Evidence-Based Approach to Introductory Chemistry

    Science.gov (United States)

    Johnson, Philip

    2014-01-01

    Drawing on research into students' understanding, this article argues that the customary approach to introductory chemistry has created difficulties for students. Instead of being based on the notion of "solids, liquids and gases", introductory chemistry should be structured to develop the concept of a substance. The concept of a…

  11. Students' Understanding of Acids/Bases in Organic Chemistry Contexts

    Science.gov (United States)

    Cartrette, David P.; Mayo, Provi M.

    2011-01-01

    Understanding key foundational principles is vital to learning chemistry across different contexts. One such foundational principle is the acid/base behavior of molecules. In the general chemistry sequence, the Bronsted-Lowry theory is stressed, because it lends itself well to studying equilibrium and kinetics. However, the Lewis theory of…

  12. Is achievement in Australian chemistry gender based?

    Science.gov (United States)

    Beard, John; Fogliani, Charles; Owens, Chris; Wilson, Audrey

    1993-12-01

    This paper compares the performances of female and male secondary students in the 1991 and 1992 Australian National Chemistry Quizzes. Male students consistently achieved a higher mean score in all Year groups (7 to 12), even though the numbers of female and male entrants were approximately equal. Implications for class tests and assessment tasks are addressed.

  13. A Thematic Review of Studies into the Effectiveness of Context-Based Chemistry Curricula

    Science.gov (United States)

    Ultay, Neslihan; Calik, Muammer

    2012-01-01

    Context-based chemistry education aims at making connections between real life and the scientific content of chemistry courses. The purpose of this study was to evaluate context-based chemistry studies. In looking for the context-based chemistry studies, the authors entered the keywords "context-based", "contextual learning" and "chemistry…

  14. Chemistry

    International Nuclear Information System (INIS)

    The chemical research and development efforts related to the design and ultimate operation of molten-salt breeder reactor systems are concentrated on fuel- and coolant-salt chemistry, including the development of analytical methods for use in these systems. The chemistry of tellurium in fuel salt is being studied to help elucidate the role of this element in the intergranular cracking of Hastelloy N. Studies were continued of the effect of oxygen-containing species on the equilibrium between dissolved UF3 and dissolved UF4, and, in some cases, between the dissolved uranium fluorides and graphite, and the UC2. Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF4 are being synthesized and characterized. Studies of the chemistry of chromium (III) compounds in fluoroborate melts were continued as part of a systematic investigation of the corrosion of structural alloys by coolant salt. An in-line voltammetric method for determining U4+/U3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

  15. Integrating UNESCO ICT-Based Instructional Materials in Chemistry Lessons

    Directory of Open Access Journals (Sweden)

    CHARLIE P. NACARIO

    2014-08-01

    Full Text Available This study determined the effectiveness of the lessons in Chemistry integrating UNESCO ICT-based instructional material on the achievement of Chemistry students at Central Bicol State University of Agriculture. It aimed to identify lessons that may be developed integrating UNESCO ICT-based instructional materials, determine the effect of the developed lessons using the material on: conceptual understanding; science process skills; and attitude towards chemistry and gather insights from the experiences of the students and teacher. The study used the single group pretest and posttest experimental design. Descriptive, quantitative and qualitative techniques were also utilized. Quantitative data were taken from the pretest-posttest results on the Test on Conceptual Understanding, Science Process Skills and Chemistry Attitudinaire. Qualitative data were drawn from the experts’ assessment of the developed lessons and research instruments, and the insights of students and teacher. The developed lessons integrating UNESCO ICT-based instructional materials were Atomic Model and Structure, Periodic Table of Elements, Chemical Bonding, and Balancing Chemical Equation. These lessons increased the conceptual understanding of the students by topic and skill from very low mastery to average mastery level. The students have slightly improved along the different science process skills. After teaching the lessons, the students’ attitude also improved. The students became more motivated and interested in Chemistry and the lessons were student centered and entailed teacher’s competence and flexibility in computer use.

  16. Ferroelectric based catalysis: Switchable surface chemistry

    Science.gov (United States)

    Kakekhani, Arvin; Ismail-Beigi, Sohrab

    2015-03-01

    We describe a new class of catalysts that uses an epitaxial monolayer of a transition metal oxide on a ferroelectric substrate. The ferroelectric polarization switches the surface chemistry between strongly adsorptive and strongly desorptive regimes, circumventing difficulties encountered on non-switchable catalytic surfaces where the Sabatier principle dictates a moderate surface-molecule interaction strength. This method is general and can, in principle, be applied to many reactions, and for each case the choice of the transition oxide monolayer can be optimized. Here, as a specific example, we show how simultaneous NOx direct decomposition (into N2 and O2) and CO oxidation can be achieved efficiently on CrO2 terminated PbTiO3, while circumventing oxygen (and sulfur) poisoning issues. One should note that NOx direct decomposition has been an open challenge in automotive emission control industry. Our method can expand the range of catalytically active elements to those which are not conventionally considered for catalysis and which are more economical, e.g., Cr (for NOx direct decomposition and CO oxidation) instead of canonical precious metal catalysts. Primary support from Toyota Motor Engineering and Manufacturing, North America, Inc.

  17. Project-based learning in chemistry teaching

    OpenAIRE

    Smrdel, Tjaša

    2013-01-01

    Project-based learning is a teaching method which helps students learn by researching interesting issues and problems from everyday life. With this method students acquire and upgrade their knowledge, develop different skills, abilities and talents and strengthen their social skills. The execution of project-based learning consists of several stages, each with specific characteristics. The role of the teacher in this method is primarily directing the learning process through encouragement, gu...

  18. Web-based Cooperative Learning in College Chemistry Teaching

    Directory of Open Access Journals (Sweden)

    Bin Jiang

    2014-03-01

    Full Text Available With the coming of information era, information process depend on internet and multi-media technology in education becomes the new approach of present teaching model reform. Web-based cooperative learning is becoming a popular learning approach with the rapid development of web technology. The paper aims to how to carry out the teaching strategy of web-based cooperative learning and applied in the foundation chemistry teaching.It was shown that with the support of modern web-based teaching environment, students' cooperative learning capacity and overall competence can be better improved and the problems of interaction in large foundation chemistry classes can be solved. Web-based cooperative learning can improve learning performance of students, what's more Web-based cooperative learning provides students with cooperative skills, communication skills, creativity, critical thinking skills and skills in information technology application.

  19. Chemistry

    International Nuclear Information System (INIS)

    Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF4--H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF2--ThF4 for Fe and analysis of LiF--BeF--ThF4 for Te

  20. Knowledge-based diagnosis of PWR secondary water chemistry

    International Nuclear Information System (INIS)

    A prototype knowledge-based diagnostic system has been developed for more effective processing of the in-line chemistry sensor data from the PWR secondary water-steam circuit with the SUN 3/80 workstation and the Nexpert Object shell program. The system consists of the data interface, the data interpreter, the CHEMISTRY-expert, the ACTION-expert, and the user interface. The knowledge base defines physical and conceptual models of the target domain in a class/object hierarchy, giving rise to a reduced number of rules with pattern matching. The rule base is broken down into separate rule groups for task control, classification, prioritization, and diagnosis to minimize the inference time. The system is scheduled for the Verification and Validation test to collect operational information feedback in one of the Korea nuclear power plants in the near future. (author)

  1. Chemistry

    International Nuclear Information System (INIS)

    Research and development activities dealing with the chemical problems related to design and ultimate operation of molten-salt reactor systems are described. An experimental test stand was constructed to expose metallurgical test specimens to Te2 vapor at defined temperatures and deposition rates. To better define the chemistry of fluoroborate coolant, several aspects are being investigated. The behavior of hydroxy and oxy compounds in molten NaBF4 is being investigated to define reactions and compounds that may be involved in corrosion and/or could be involved in methods for trapping tritium. Two corrosion products of Hastelloy N, Na3CrF6 and Na5Cr3F14, were identified from fluoroborate systems. The evaluation of fluoroborate and alternate coolants continued. Research on the behavior of hydrogen and its isotopes is summarized. The solubilities of hydrogen, deuterium, and helium in Li2BeF4 are very low. The sorption of tritium on graphite was found to be significant (a few milligrams of tritium per kilogram of graphite), possibly providing a means of sequestering a portion of the tritium produced. Development of analytical methods continued with emphasis on voltammetric and spectrophotometric techniques for the in-line analysis of corrosion products such as Fe2+ and Cr3+ and the determination of the U3+/U4+ ratio in MSBR fuel salt. Similar studies were conducted with the NaBF4--NaF coolant salt. Information developed during the previous operation of the CSTF has been assessed and used to formulate plans for evaluation of in-line analytical methods in future CSTF operations. Electroanalytical and spectrophotometric research suggests that an electroactive protonic species is present in molten NaBF4--NaF, and that this species rapidly equilibrates with a volatile proton-containing species. Data obtained from the CSTF indicated that tritium was concentrated in the volatile species. (JGB)

  2. Acid-base chemistry of frustrated water at protein interfaces.

    Science.gov (United States)

    Fernández, Ariel

    2016-01-01

    Water molecules at a protein interface are often frustrated in hydrogen-bonding opportunities due to subnanoscale confinement. As shown, this condition makes them behave as a general base that may titrate side-chain ammonium and guanidinium cations. Frustration-based chemistry is captured by a quantum mechanical treatment of proton transference and shown to remove same-charge uncompensated anticontacts at the interface found in the crystallographic record and in other spectroscopic information on the aqueous interface. Such observations are untenable within classical arguments, as hydronium is a stronger acid than ammonium or guanidinium. Frustration enables a directed Grotthuss mechanism for proton transference stabilizing same-charge anticontacts.

  3. Canonical Pedagogical Content Knowledge by Cores for Teaching Acid-Base Chemistry at High School

    Science.gov (United States)

    Alvarado, Clara; Cañada, Florentina; Garritz, Andoni; Mellado, Vicente

    2015-01-01

    The topic of acid-base chemistry is one of the oldest in general chemistry courses and it has been almost continuously in academic discussion. The central purpose of documenting the knowledge and beliefs of a group of ten Mexican teachers with experience in teaching acid-base chemistry in high school was to know how they design, prepare and…

  4. Development and Assessment of Green, Research-Based Instructional Materials for the General Chemistry Laboratory

    Science.gov (United States)

    Cacciatore, Kristen L.

    2010-01-01

    This research entails integrating two novel approaches for enriching student learning in chemistry into the context of the general chemistry laboratory. The first is a pedagogical approach based on research in cognitive science and the second is the green chemistry philosophy. Research has shown that inquiry-based approaches are effective in…

  5. Crystal chemistry and structural design of iron-based superconductors

    Institute of Scientific and Technical Information of China (English)

    Jiang Hao; Sun Yun-Lei; Xu Zhu-An; Cao Guang-Han

    2013-01-01

    The second class of high-temperature superconductors (HTSCs),iron-based pnictides and chalcogenides,necessarily contain Fe2X2 (“X” refers to a pnictogen or a chalcogen element) layers,just like the first class of HTSCs which possess the essential CuO2 sheets.So far,dozens of iron-based HTSCs,classified into nine groups,have been discovered.In this article,the crystal-chemistry aspects of the known iron-based superconductors are reviewed and summarized by employing “hard and soft acids and bases (HSAB)” concept.Based on these understandings,we propose an alternative route to exploring new iron-based superconductors via rational structural design.

  6. Component-based integration of chemistry and optimization software.

    Science.gov (United States)

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

    2004-11-15

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

  7. Chemistry research and chemical techniques based on research reactors

    International Nuclear Information System (INIS)

    Chemistry has occupied an important position historically in the sciences associated with nuclear reactors and it continues to play a prominent role in reactor-based research investigations. This Panel of prominent scientists in the field was convened by the International Atomic Energy Agency (IAEA) to assess the present state of such chemistry research for the information of its Member States and others interested in the subject. There are two ways in which chemistry is associated with nuclear reactors: (a) general applications to many scientific fields in which chemical techniques are involved as essential service functions; and (b) specific applications of reactor facilities to the solution of chemical problems themselves. Twenty years of basic research with nuclear reactors have demonstrated a very widespread, and still increasing, demand for radioisotopes and isotopically-labelled molecules in all fields of the physical and biological sciences. Similarly, the determination of the elemental composition of a material through the analytical technique of activation analysis can be applied throughout experimental science. Refs, figs and tabs

  8. Think for yourself : a writing- based chemistry curriculum

    OpenAIRE

    Morgan, John Andrew

    2011-01-01

    Colleges and universities require applicants to have completed chemistry because students develop scientific literacy and critical thinking skills by learning and applying chemistry content. Due to the factual nature of standards assessments, chemistry curriculum is focused on student memorization of facts. As a result, many high school chemistry students are learning chemistry test facts rather than critical thinking skills. Students at Orange County high school, in southern California, part...

  9. Project-based learning in the secondary chemistry classroom

    Science.gov (United States)

    Crane, Elizabeth L.

    This study investigated the use of project-based learning (PBL) in a high school chemistry classroom. PBL encourages the use of projects, which promote continual learning, rather than a summative project at the end of a unit after the learning has already been done. Along with implementing PBL, the study also incorporated many of the strategies included in the broader strategy known as Assessment for Learning (AfL), which stresses developing assessments that are part of the learning process rather than simply a measurement of the amount of learning that has occurred upon completion of a unit. The hypothesis of this research was that PBL would increase student comprehension and motivation as measured through pre and post-test data and a student survey. The new project-based unit required students to research and present the properties and structures of elements and how we use them. The expectation was that this approach would engage students with the material, the computer modeling would allow for more concrete visualization of structures and the project-based format would allow students to become more invested in their own learning. This study provided evidence to support the hypothesis that the implementation of project-based learning, supported by formative assessment and other assessment for learning strategies, will improve student comprehension and motivation in the secondary chemistry classroom.

  10. Chemistry of bismuth and lead based superconducting perovskites

    International Nuclear Information System (INIS)

    At the present time, there are three known members of the Bi and Pb based family of perovskite superconductors, Ba(Pb,Bi)O3, (Ba,K)BiO3, and Ba(Pb,Sb)O3. This paper describes the crystal chemistry of these materials and also of the nonsuperconducting end members BaPbO3 and BaBiO3. In particular, it is a basic introduction to the chemical characteristics which make them an intriguing family of materials

  11. A Thematic Review of Studies into the Effectiveness of Context-Based Chemistry Curricula

    Science.gov (United States)

    Ültay, Neslihan; Çalık, Muammer

    2012-12-01

    Context-based chemistry education aims at making connections between real life and the scientific content of chemistry courses. The purpose of this study was to evaluate context-based chemistry studies. In looking for the context-based chemistry studies, the authors entered the keywords `context-based', `contextual learning' and `chemistry education' in well-known databases (i.e. Academic Search Complete, Education Research Complete, ERIC, Springer LINK Contemporary). Further, in case the computer search by key words may have missed a rather substantial part of the important literature in the area, the authors also conducted a hand search of the related journals. To present a detailed thematic review of context-based chemistry studies, a matrix was used to summarize the findings by focusing on insights derived from the related studies. The matrix incorporates the following themes: needs, aims, methodologies, general knowledge claims, and implications for teaching and learning, implications for curriculum development and suggestions for future research. The general knowledge claims investigated in this paper were: (a) positive effects of the context-based chemistry studies; (b) caveats, both are examined in terms of students' attitudes and students' understanding/cognition. Implications were investigated for practice in context- based chemistry studies, for future research in context- based chemistry studies, and for curriculum developers in context- based chemistry studies. Teachers of context-based courses claimed that the application of the context-based learning approach in chemistry education improved students' motivation and interest in the subject. This seems to have generated an increase in the number of the students who wish to continue chemistry education at higher levels. However, despite the fact that the majority of the studies have reported advantages of context-based chemistry studies, some of them have also referred to pitfalls, i.e. dominant

  12. A Collaborative, Wiki-Based Organic Chemistry Project Incorporating Free Chemistry Software on the Web

    Science.gov (United States)

    Evans, Michael J.; Moore, Jeffrey S.

    2011-01-01

    In recent years, postsecondary instructors have recognized the potential of wikis to transform the way students learn in a collaborative environment. However, few instructors have embraced in-depth student use of chemistry software for the creation of interactive chemistry content on the Web. Using currently available software, students are able…

  13. Student Use of Web-Based Tutorial Materials and Understanding of Chemistry Concepts

    Science.gov (United States)

    Donovan, William; Nakhleh, Mary

    2007-01-01

    This article reports the findings of Phase II of our study of student use of web-based tutorial materials for general chemistry and student understanding of chemistry concepts. We have found that students who use the web site valued the aspects of visualization of chemistry concepts and availability of materials online. In our analysis of student…

  14. Development and Assessment of a Chemistry-Based Computer Video Game as a Learning Tool

    Science.gov (United States)

    Martinez-Hernandez, Kermin Joel

    2010-01-01

    The chemistry-based computer video game is a multidisciplinary collaboration between chemistry and computer graphics and technology fields developed to explore the use of video games as a possible learning tool. This innovative approach aims to integrate elements of commercial video game and authentic chemistry context environments into a learning…

  15. A context based approach using Green Chemistry/Bio-remediation principles to enhance interest and learning of organic chemistry in a high school AP chemistry classroom

    Science.gov (United States)

    Miller, Tricia

    The ability of our planet to sustain life and heal itself is not as predictable as it used to be. Our need for educated future scientists who know what our planet needs, and can passionately apply that knowledge to find solutions should be at the heart of science education today. This study of learning organic chemistry through the lens of the environmental problem "What should be done with our food scraps?" explores student interest, and mastery of certain concepts in organic chemistry. This Green Chemistry/ Bio-remediation context-based teaching approach utilizes the Nature MillRTM, which is an indoor food waste composting machine, to learn about organic chemistry, and how this relates to landfill reduction possibilities, and resource production. During this unit students collected food waste from their cafeteria, and used the Nature MillRTM to convert food waste into compost. The use of these hands on activities, and group discussions in a context-based environment enhanced their interest in organic chemistry, and paper chromatography. According to a one-tailed paired T-test, the result show that this context-based approach is a significant way to increase both student interest and mastery of the content.

  16. Chemistry Resolved Kinetic Flow Modeling of TATB Based Explosives

    Energy Technology Data Exchange (ETDEWEB)

    Vitello, P A; Fried, L E; Howard, W M; Levesque, G; Souers, P C

    2011-07-21

    Detonation waves in insensitive, TATB based explosives are believed to have multi-time scale regimes. The initial burn rate of such explosives has a sub-microsecond time scale. However, significant late-time slow release in energy is believed to occur due to diffusion limited growth of carbon. In the intermediate time scale concentrations of product species likely change from being in equilibrium to being kinetic rate controlled. They use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. They term their model chemistry resolved kinetic flow as CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. A HE-validation suite of model simulations compared to experiments at ambient, hot, and cold temperatures has been developed. They present here a new rate model and comparison with experimental data.

  17. The Effect of Web-Based Project Applications on Students' Attitudes towards Chemistry

    Science.gov (United States)

    Morgil, Inci; Gungor Seyhan, Hatice; Ural Alsan, Evrim; Temel, Senar

    2008-01-01

    Students perform intensive web-based applications during their education. One of these is project-based application. In this study, the effect of web based project applications on students' attitudes towards chemistry has been investigated. 42 students attending Hacettepe University, Faculty of Education, and Department of Chemistry Education have…

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

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    Adami, Gianpiero

    2006-01-01

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

  20. Measurement-based modeling of bromine chemistry in the boundary layer: 1. Bromine chemistry at the Dead Sea

    OpenAIRE

    Tas, E.; Peleg, M.; D. U. Pedersen; Matveev, V; Pour Biazar, A.; Luria, M.

    2006-01-01

    International audience The Dead Sea is an excellent natural laboratory for the investigation of Reactive Bromine Species (RBS) chemistry, due to the high RBS levels observed in this area, combined with anthropogenic air pollutants up to several ppb. The present study investigated the basic chemical mechanism of RBS at the Dead Sea using a numerical one-dimensional chemical model. Simulations were based on data obtained from comprehensive measurements performed at sites along the Dead Sea. ...

  1. Small-molecule azomethines: organic photovoltaics via Schiff base condensation chemistry

    NARCIS (Netherlands)

    Petrus,M. L.; Bouwer, R. K. M.; Lafont, U.; Athanasopoulos, S.; Greenham, N. C.; Dingemans, T. J.

    2014-01-01

    Conjugated small-molecule azomethines for photovoltaic applications were prepared via Schiff base condensation chemistry. Bulk heterojunction (BHJ) devices exhibit efficiencies of 1.2% with MoOx as the hole-transporting layer. The versatility and simplicity of the chemistry is illustrated by prepari

  2. Life-Cycle Analysis and Inquiry-Based Learning in Chemistry Teaching

    Science.gov (United States)

    Juntunen, Marianne; Aksela, Maija

    2013-01-01

    The purpose of this design research is to improve the quality of environmental literacy and sustainability education in chemistry teaching through combining a socio-scientific issue, life-cycle analysis (LCA), with inquiry-based learning (IBL). This first phase of the cyclic design research involved 20 inservice trained chemistry teachers from…

  3. A Tiny Adventure: The Introduction of Problem Based Learning in an Undergraduate Chemistry Course

    Science.gov (United States)

    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…

  4. Effects of Computer Based Learning on Students' Attitudes and Achievements towards Analytical Chemistry

    Science.gov (United States)

    Akcay, Husamettin; Durmaz, Asli; Tuysuz, Cengiz; Feyzioglu, Burak

    2006-01-01

    The aim of this study was to compare the effects of computer-based learning and traditional method on students' attitudes and achievement towards analytical chemistry. Students from Chemistry Education Department at Dokuz Eylul University (D.E.U) were selected randomly and divided into three groups; two experimental (Eg-1 and Eg-2) and a control…

  5. Using Structure-Based Organic Chemistry Online Tutorials with Automated Correction for Student Practice and Review

    Science.gov (United States)

    O'Sullivan, Timothy P.; Hargaden, Gra´inne C.

    2014-01-01

    This article describes the development and implementation of an open-access organic chemistry question bank for online tutorials and assessments at University College Cork and Dublin Institute of Technology. SOCOT (structure-based organic chemistry online tutorials) may be used to supplement traditional small-group tutorials, thereby allowing…

  6. Plug-Based Microfluidics with Defined Surface Chemistry to Miniaturize and Control Aggregation of Amyloidogenic Peptides**

    OpenAIRE

    Meier, Matthias; Kennedy-Darling, Julia; Choi, Se Hoon; Norstrom, Eric M.; Sisodia, Sangram S; Ismagilov, Rustem F.

    2009-01-01

    Small with control: For miniaturization of protein aggregation experiments the interfacial chemistry must be controlled to avoid protein aggregation caused by interfacial adsorption. Plug-based microfluidics with defined surface chemistry (see schematic picture) can then be used to perform hundreds of aggregation experiments with volume-limited samples, such as cerebrospinal fluid from mice.

  7. Effectiveness of Case-Based Learning Instruction on Epistemological Beliefs and Attitudes toward Chemistry

    Science.gov (United States)

    Cam, Aylin; Geban, Omer

    2011-01-01

    The purpose of the study was to investigate the effectiveness of case-based learning instruction over traditionally designed chemistry instruction on eleventh grade students' epistemological beliefs and their attitudes toward chemistry as a school subject. The subjects of this study consisted of 63 eleventh grade students from two intact classes…

  8. A Chemistry-Based Classification for Peridotite Xenoliths

    Science.gov (United States)

    Block, K. A.; Ducea, M.; Raye, U.; Stern, R. J.; Anthony, E. Y.; Lehnert, K. A.

    2007-12-01

    The development of a petrological and geochemical database for mantle xenoliths is important for interpreting EarthScope geophysical results. Interpretation of compositional characteristics of xenoliths requires a sound basis for comparing geochemical results, even when no petrographic modes are available. Peridotite xenoliths are generally classified on the basis of mineralogy (Streckeisen, 1973) derived from point-counting methods. Modal estimates, particularly on heterogeneous samples, are conducted using various methodologies and are therefore subject to large statistical error. Also, many studies simply do not report the modes. Other classifications for peridotite xenoliths based on host matrix or tectonic setting (cratonic vs. non-cratonic) are poorly defined and provide little information on where samples from transitional settings fit within a classification scheme (e.g., xenoliths from circum-cratonic locations). We present here a classification for peridotite xenoliths based on bulk rock major element chemistry, which is one of the most common types of data reported in the literature. A chemical dataset of over 1150 peridotite xenoliths is compiled from two online geochemistry databases, the EarthChem Deep Lithosphere Dataset and from GEOROC (http://www.earthchem.org), and is downloaded with the rock names reported in the original publications. Ternary plots of combinations of the SiO2- CaO-Al2O3-MgO (SCAM) components display sharp boundaries that define the dunite, harzburgite, lherzolite, or wehrlite-pyroxenite fields and provide a graphical basis for classification. In addition, for the CaO-Al2O3-MgO (CAM) diagram, a boundary between harzburgite and lherzolite at approximately 19% CaO is defined by a plot of over 160 abyssal peridotite compositions calculated from observed modes using the methods of Asimow (1999) and Baker and Beckett (1999). We anticipate that our SCAM classification is a first step in the development of a uniform basis for

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

    Directory of Open Access Journals (Sweden)

    Yinliang Yang

    2013-10-01

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

  10. Developing computational model-based diagnostics to analyse clinical chemistry data

    NARCIS (Netherlands)

    Schalkwijk, D.B. van; Bochove, K. van; Ommen, B. van; Freidig, A.P.; Someren, E.P. van; Greef, J. van der; Graaf, A.A. de

    2010-01-01

    This article provides methodological and technical considerations to researchers starting to develop computational model-based diagnostics using clinical chemistry data.These models are of increasing importance, since novel metabolomics and proteomics measuring technologies are able to produce large

  11. Integration of Environmental Analytical Chemistry with Environmental Law: The Development of a Problem-Based Laboratory.

    Science.gov (United States)

    Cancilla, Devon A.

    2001-01-01

    Introduces an undergraduate level problem-based analytical chemistry laboratory course integrated with an environmental law course. Aims to develop an understanding among students on the use of environmental indicators for environmental evaluation. (Contains 30 references.) (YDS)

  12. Design, Development, and Psychometric Analysis of a General, Organic, and Biological Chemistry Topic Inventory Based on the Identified Main Chemistry Topics Relevant to Nursing Clinical Practice

    Science.gov (United States)

    Brown, Corina E.

    2013-01-01

    This two-stage study focused on the undergraduate nursing course that covers topics in general, organic, and biological (GOB) chemistry. In the first stage, the central objective was to identify the main concepts of GOB chemistry relevant to the clinical practice of nursing. The collection of data was based on open-ended interviews of both nursing…

  13. Green Chemistry Based Benign Routes for Nanoparticle Synthesis

    Directory of Open Access Journals (Sweden)

    Parth Malik

    2014-01-01

    Full Text Available Green chemistry has been an eye catching area of interest since the past few years. With the problem of energy crisis looming high and its constraint being particularly vulnerable on the developing economies, the need for giving alternative traditional chemistry a serious consideration as well as adequate room for development has received significant boost through the coveted efforts of multidisciplinary and interdisciplinary scientific fields. Nanoscience has been the right field in this dimension as it opens up the door to multiple opportunities through enabling a number of chemical, biochemical, and biophysical transformations in a significantly easier and reliable manner. The use of nanoparticles has made the fields of catalysis, synthesis, and enzyme immobilizations as well as molecular interactions a lot much easier, rapid and easily controllable. This review article sheds light on the popular alternative synthesis routes being employed for the synthesis of nanoparticles, the pivotal being from microbes, plants, and chemical routes via sonication, microwaving, and many others.

  14. The exceptionally rich coordination chemistry generated by Schiff-base ligands derived from o-vanillin.

    Science.gov (United States)

    Andruh, Marius

    2015-10-14

    Ortho-vanillin became very popular in coordination chemistry because of its Schiff bases, which generate a rich variety of complexes, ranging from oligonuclear species to coordination polymers. Some of these organic molecules are particularly useful in metallosupramolecular chemistry for assembling homo- and heterometallic helicates. The Schiff bases obtained using aminoalcohols open the door to the synthesis of homo- and heterometallic clusters with various nuclearities and surprising topologies of the metal centers. Several relevant structural types are reviewed. The heterobinuclear 3d-3d' and 3d-4f complexes are valuable building-blocks for the synthesis of heterotrimetallic systems. Beyond the richness of this chemistry, the complexes obtained from o-vanillin-based Schiff ligands show interesting properties: magnetism, luminescence, chirality, catalysis, cytotoxicity, and ferroelectricity. This paper reviews recent data that illustrate a very fertile and dynamic research field in coordination chemistry and materials science.

  15. Students' Perceptions of Teaching in Context-based and Traditional Chemistry Classrooms: Comparing content, learning activities, and interpersonal perspectives

    Science.gov (United States)

    Overman, Michelle; Vermunt, Jan D.; Meijer, Paulien C.; Bulte, Astrid M. W.; Brekelmans, Mieke

    2014-07-01

    Context-based curriculum reforms in chemistry education are thought to bring greater diversity to the ways in which chemistry teachers organize their teaching. First and foremost, students are expected to perceive this diversity. However, empirical research on how students perceive their teacher's teaching in context-based chemistry classrooms, and whether this teaching differs from traditional chemistry lessons, is scarce. This study aims to develop our understanding of what teaching looks like, according to students, in context-based chemistry classrooms compared with traditional chemistry classrooms. As such, it might also provide a better understanding of whether teachers implement and attain the intentions of curriculum developers. To study teacher behaviour we used three theoretical perspectives deemed to be important for student learning: a content perspective, a learning activities perspective, and an interpersonal perspective. Data were collected from 480 students in 24 secondary chemistry classes in the Netherlands. Our findings suggest that, according to the students, the changes in teaching in context-based chemistry classrooms imply a lessening of the emphasis on fundamental chemistry and the use of a teacher-centred approach, compared with traditional chemistry classrooms. However, teachers in context-based chemistry classrooms seem not to display more 'context-based' teaching behaviour, such as emphasizing the relation between chemistry, technology, and society and using a student-centred approach. Furthermore, students in context-based chemistry classrooms perceive their teachers as having less interpersonal control and showing less affiliation than teachers in traditional chemistry classrooms. Our findings should be interpreted in the context of former and daily experiences of both teachers and students. As only chemistry is reformed in the schools in which context-based chemistry is implemented, it is challenging for both students and teachers to

  16. Crystal chemistry of the perovskite based superconducting oxides

    International Nuclear Information System (INIS)

    The crystal chemistry of K2NiF4 and Ba2YCu3O7 type compounds is discussed. The composition dependence of the lattice parameters for the Ba2-xLaxYCu3O7+δ solid solution and of the oxygen stoichiometry in Ba2-xLaxYCu3O7+δ annealed in O2 at 500 C, as well as a tentative partial phase equilibria diagram for ABO3-x perovskites in the (Ba, La, Y) CuO3-x chemical system are given. 19 refs, 4 figs

  17. Materials Chemistry and Performance of Silicone-Based Replicating Compounds.

    Energy Technology Data Exchange (ETDEWEB)

    Brumbach, Michael T.; Mirabal, Alex James; Kalan, Michael; Trujillo, Ana B; Hale, Kevin

    2014-11-01

    Replicating compounds are used to cast reproductions of surface features on a variety of materials. Replicas allow for quantitative measurements and recordkeeping on parts that may otherwise be difficult to measure or maintain. In this study, the chemistry and replicating capability of several replicating compounds was investigated. Additionally, the residue remaining on material surfaces upon removal of replicas was quantified. Cleaning practices were tested for several different replicating compounds. For all replicating compounds investigated, a thin silicone residue was left by the replica. For some compounds, additional inorganic species could be identified in the residue. Simple solvent cleaning could remove some residue.

  18. A Web-Based Chemistry Course as a Means To Foster Freshmen Learning

    Science.gov (United States)

    Dori, Yehudit Judy; Barak, Miri; Adir, Noam

    2003-09-01

    Chemistry courses in higher education have traditionally been composed of lectures, problem solving sessions, and laboratories. This study describes a Web-based chemistry course and the learning outcomes of freshmen that used it. Chemistry faculty and teaching assistants were interviewed regarding their views about Web-based teaching and learning. Students who took part in a Web-based general chemistry course were divided into two groups based on their preference of participating in a Computerized Molecular Modeling (CMM) project. The experimental group students carried out an individualized project using CMM software to represent a complex molecule in three model types, compute its molecular weight, and construct hybridization and electrical charge distribution for each of the carbon atoms in the molecule. Pre- and post-tests along with final examination grades served for assessing the students' achievements. The 95 experimental students achieved significantly higher grades than their 120 control-group peers in both the post-test and the final examination. The experimental students were able to switch from 1-D to 2- and 3-D molecular representations, argue for selecting an appropriate substance for a particular purpose, and transfer between the four levels of understanding in chemistry better than their control counterparts.

  19. Computer-based, Jeopardy™-like game in general chemistry for engineering majors

    Science.gov (United States)

    Ling, S. S.; Saffre, F.; Kadadha, M.; Gater, D. L.; Isakovic, A. F.

    2013-03-01

    We report on the design of Jeopardy™-like computer game for enhancement of learning of general chemistry for engineering majors. While we examine several parameters of student achievement and attitude, our primary concern is addressing the motivation of students, which tends to be low in a traditionally run chemistry lectures. The effect of the game-playing is tested by comparing paper-based game quiz, which constitutes a control group, and computer-based game quiz, constituting a treatment group. Computer-based game quizzes are Java™-based applications that students run once a week in the second part of the last lecture of the week. Overall effectiveness of the semester-long program is measured through pretest-postest conceptual testing of general chemistry. The objective of this research is to determine to what extent this ``gamification'' of the course delivery and course evaluation processes may be beneficial to the undergraduates' learning of science in general, and chemistry in particular. We present data addressing gender-specific difference in performance, as well as background (pre-college) level of general science and chemistry preparation. We outline the plan how to extend such approach to general physics courses and to modern science driven electives, and we offer live, in-lectures examples of our computer gaming experience. We acknowledge support from Khalifa University, Abu Dhabi

  20. Strategies for a professional development programme: empowering teachers for context-based chemistry education.

    NARCIS (Netherlands)

    Stolk, M.; Bulte, A.M.W.; de Jong, O.; Pilot, A.

    2009-01-01

    The aim of this study is to understand the design of professional development programmes in teacher-based and context-based chemistry curriculum innovations. Firstly, the goals of these programmes are discussed and related to the concept of empowerment. Next, in a selection of empirical studies, fou

  1. Supramolecular chemistry based on redox-active components and cucurbit[n]urils

    OpenAIRE

    Andersson, Samir

    2010-01-01

    This thesis describes the host-guest chemistry between Cucurbit[7]uril (CB[7]) and CB[8] and a series of guests including bispyridinium cations, phenols and  napthalenes. These guests are bound to ruthenium polypyridine complexes or ruthenium based water oxidation catalysts (WOCs). The investigations are based upon utilizing the covalently linked photosensitizer and the electronic effects and chemical processes are investigated.

  2. Radiation Chemistry Data Center: information services produced from the bibliographic data base

    International Nuclear Information System (INIS)

    A bibliographic data base covering radiation chemistry and photochemistry and currently containing 50,000 references is used to generate current-awareness publications, literature searches and other reference aids. The content and structure of the data base are described along with procedures for storage, retrieval and reformatting of information therefrom. (author)

  3. Beyond Problem-Based Learning: Using Dynamic PBL in Chemistry

    Science.gov (United States)

    Overton, Tina L.; Randles, Christopher A.

    2015-01-01

    This paper describes the development and implementation of a novel pedagogy, dynamic problem-based learning. The pedagogy utilises real-world problems that evolve throughout the problem-based learning activity and provide students with choice and different data sets. This new dynamic problem-based learning approach was utilised to teach…

  4. Isocyanide based multi component reactions in combinatorial chemistry.

    NARCIS (Netherlands)

    Dömling, A.

    1998-01-01

    Although usually regarded as a recent development, the combinatorial approach to the synthesis of libraries of new drug candidates was first described as early as 1961 using the isocyanide-based one-pot multicomponent Ugi reaction. Isocyanide-based multi component reactions (MCR's) markedly differ f

  5. Application of ICT-based Learning Resources for University Inorganic Chemistry Course Training

    Directory of Open Access Journals (Sweden)

    Tatyana M. Derkach

    2013-01-01

    Full Text Available The article studies expediency and efficiency of various ICT-based learning resources use in university inorganic chemistry course training, detects difference of attitudes toward electronic resources between students and faculty members, which create the background for their efficiency loss

  6. A Game-Based Approach to an Entire Physical Chemistry Course

    Science.gov (United States)

    Daubenfeld, Thorsten; Zenker, Dietmar

    2015-01-01

    We designed, implemented, and evaluated a game-based learning approach to increase student motivation and achievement for an undergraduate physical chemistry course. By focusing only on the most important game aspects, the implementation was realized with a production ratio of 1:8 (study load in hours divided by production effort in hours).…

  7. Addition of a Project-Based Component to a Conventional Expository Physical Chemistry Laboratory

    Science.gov (United States)

    Tsaparlis, Georgios; Gorezi, Marianna

    2007-01-01

    Students should enjoy their laboratory classes and for this purpose a project-based activity is added to a conventional physical chemistry laboratory. Students were given project work instead of conventional experiment and then they had to make progress in the project according to instructions and then carry out experiments related to the project.

  8. Island Explorations: Discovering Effects of Environmental Research-Based Lab Activities on Analytical Chemistry Students

    Science.gov (United States)

    Tomasik, Janice Hall; LeCaptain, Dale; Murphy, Sarah; Martin, Mary; Knight, Rachel M.; Harke, Maureen A.; Burke, Ryan; Beck, Kara; Acevedo-Polakovich, I. David

    2014-01-01

    Motivating students in analytical chemistry can be challenging, in part because of the complexity and breadth of topics involved. Some methods that help encourage students and convey real-world relevancy of the material include incorporating environmental issues, research-based lab experiments, and service learning projects. In this paper, we…

  9. Incorporating Course-Based Undergraduate Research Experiences into Analytical Chemistry Laboratory Curricula

    Science.gov (United States)

    Kerr, Melissa A.; Yan, Fei

    2016-01-01

    A continuous effort within an undergraduate university setting is to improve students' learning outcomes and thus improve students' attitudes about a particular field of study. This is undoubtedly relevant within a chemistry laboratory. This paper reports the results of an effort to introduce a problem-based learning strategy into the analytical…

  10. Inquiry-Based Course in Physics and Chemistry for Preservice K-8 Teachers

    Science.gov (United States)

    Loverude, Michael E.; Gonzalez, Barbara L.; Nanes, Roger

    2011-01-01

    We describe an inquiry-based course in physics and chemistry for preservice K-8 teachers developed at California State University Fullerton. The course is one of three developed primarily to enhance the science content understanding of prospective teachers. The course incorporates a number of innovative instructional strategies and is somewhat…

  11. "Chemistry Is in the News": Taxonomy of Authentic News Media-Based Learning Activities. Research Report

    Science.gov (United States)

    Glaser, Rainer E.; Carson, Kathleen M.

    2005-01-01

    A brief history is given of approaches that aim at achieving a connectedness of the content of organic chemistry courses to real world issues. Recently, such approaches have relied more and more on online media resources, the tools of the Internet and the World Wide Web. We propose a six-level taxonomy of 'authentic news media-based learning…

  12. Enquiry-Based Learning: Experiences of First Year Chemistry Students Learning Spectroscopy

    Science.gov (United States)

    Lucas, Timothy; Rowley, Natalie M.

    2011-01-01

    We explored the experiences of first year chemistry students of an Enquiry-Based Learning (EBL) approach to learning spectroscopy. An investigation of how students' perceived confidences changed as a result of their experience of using EBL in the spectroscopy course was carried out. Changes in the students' perceived confidence, both in their…

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

    Science.gov (United States)

    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…

  14. Evaluating a Professional Development Framework to Empower Chemistry Teachers to Design Context-Based Education

    NARCIS (Netherlands)

    Stolk, M.J.; Bulte, A.M.W.; de Jong, O.; Pilot, A.

    2012-01-01

    Even experienced chemistry teachers require professional development when they are encouraged to become actively engaged in the design of new context-based education. This study briefly describes the development of a framework consisting of goals, learning phases, strategies and instructional functi

  15. Self-Directed Activity-Based Learning and Achievement in High School Chemistry

    Science.gov (United States)

    Bassett, Meighan M.; Martinez, James; Martin, Ellice P.

    2014-01-01

    The effects of student-directed activity-based learning (SDABL) were examined in two high school chemistry classes. Students in the SDABL class were given pretest results, a list of standards to be mastered, and a chart of learning activities categorized by difficulty level. They selected activities to meet their needs and preferences.…

  16. Transitioning from Expository Laboratory Experiments to Course-Based Undergraduate Research in General Chemistry

    Science.gov (United States)

    Clark, Ted M.; Ricciardo, Rebecca; Weaver, Tyler

    2016-01-01

    General chemistry courses predominantly use expository experiments that shape student expectations of what a laboratory activity entails. Shifting within a semester to course-based undergraduate research activities that include greater decision-making, collaborative work, and "messy" real-world data necessitates a change in student…

  17. General Chemistry Students' Conceptual Understanding and Language Fluency: Acid-Base Neutralization and Conductometry

    Science.gov (United States)

    Nyachwaya, James M.

    2016-01-01

    The objective of this study was to examine college general chemistry students' conceptual understanding and language fluency in the context of the topic of acids and bases. 115 students worked in groups of 2-4 to complete an activity on conductometry, where they were given a scenario in which a titration of sodium hydroxide solution and dilute…

  18. Infrared and Raman Spectroscopy: A Discovery-Based Activity for the General Chemistry Curriculum

    Science.gov (United States)

    Borgsmiller, Karen L.; O'Connell, Dylan J.; Klauenberg, Kathryn M.; Wilson, Peter M.; Stromberg, Christopher J.

    2012-01-01

    A discovery-based method is described for incorporating the concepts of IR and Raman spectroscopy into the general chemistry curriculum. Students use three sets of springs to model the properties of single, double, and triple covalent bonds. Then, Gaussian 03W molecular modeling software is used to illustrate the relationship between bond…

  19. Acid-Base Learning Outcomes for Students in an Introductory Organic Chemistry Course

    Science.gov (United States)

    Stoyanovich, Carlee; Gandhi, Aneri; Flynn, Alison B.

    2015-01-01

    An outcome-based approach to teaching and learning focuses on what the student demonstrably knows and can do after instruction, rather than on what the instructor teaches. This outcome-focused approach can then guide the alignment of teaching strategies, learning activities, and assessment. In organic chemistry, mastery of organic acid-base…

  20. Formalizing the First Day in an Organic Chemistry Laboratory Using a Studio-Based Approach

    Science.gov (United States)

    Collison, Christina G.; Cody, Jeremy; Smith, Darren; Swartzenberg, Jennifer

    2015-01-01

    A novel studio-based lab module that incorporates student-centered activities was designed and implemented to introduce second-year undergraduate students to the first-semester organic chemistry laboratory. The "First Day" studio module incorporates learning objectives for the course, lab safety, and keeping a professional lab notebook.

  1. Use of chemistry software to teach and assess model-based reaction and equation knowledge

    Directory of Open Access Journals (Sweden)

    Kevin Pyatt

    2014-12-01

    Full Text Available This study investigated the challenges students face when learning chemical reactions in a first-year chemistry course and the effectiveness of a curriculum and software implementation that was used to teach and assess student understanding of chemical reactions and equations. This study took place over a two year period in a public suburban high-school, in southwestern USA. Two advanced placement (AP chemistry classes participated, referred to here as study group A (year 1, N = 14; and study group B (year 2, N = 21. The curriculum for a first-year chemistry course (group A was revised to include instruction on reaction-types. The second year of the study involved the creation and implementation of a software solution which promoted mastery learning of reaction-types. Students in both groups benefited from the reaction-type curriculum and achieved proficiency in chemical reactions and equations.  The findings suggest there was an added learning benefit to using the reaction-type software solution. This study also found that reaction knowledge was a moderate to strong predictor of chemistry achievement. Based on regression analysis, reaction knowledge significantly predicted chemistry achievement for both groups.

  2. Highly sensitive methods for electroanalytical chemistry based on nanotubule membranes.

    Science.gov (United States)

    Kobayashi, Y; Martin, C R

    1999-09-01

    Two new methods of electroanalysis are described. These methods are based on membranes containing monodisperse Au nanotubules with inside diameters approaching molecular dimensions. In one method, the analyte species is detected by measuring the change in trans-membrane current when the analyte is added to the nanotubule-based cell. The second method entails the use of a concentration cell based on the nanotubule membrane. In this case, the change in membrane potential is used to detect the analyte. Detection limits as low as 10(-11) M have been achieved. Hence, these methods compete with even the most sensitive of modern analytical methodologies. In addition, excellent molecular-sized-based selectivity is observed.

  3. How do video-based demonstration assessment tasks affect problem-solving process, test anxiety, chemistry anxiety and achievement in general chemistry students?

    Science.gov (United States)

    Terrell, Rosalind Stephanie

    2001-12-01

    Because paper-and-pencil testing provides limited knowledge about what students know about chemical phenomena, we have developed video-based demonstrations to broaden measurement of student learning. For example, students might be shown a video demonstrating equilibrium shifts. Two methods for viewing equilibrium shifts are changing the concentration of the reactants and changing the temperature of the system. The students are required to combine the data collected from the video and their knowledge of chemistry to determine which way the equilibrium shifts. Video-based demonstrations are important techniques for measuring student learning because they require students to apply conceptual knowledge learned in class to a specific chemical problem. This study explores how video-based demonstration assessment tasks affect problem-solving processes, test anxiety, chemistry anxiety and achievement in general chemistry students. Several instruments were used to determine students' knowledge about chemistry, students' test and chemistry anxiety before and after treatment. Think-aloud interviews were conducted to determine students' problem-solving processes after treatment. The treatment group was compared to a control group and a group watching video demonstrations. After treatment students' anxiety increased and achievement decreased. There were also no significant differences found in students' problem-solving processes following treatment. These negative findings may be attributed to several factors that will be explored in this study.

  4. Schiff Bases: A Short Survey on an Evergreen Chemistry Tool

    Directory of Open Access Journals (Sweden)

    Mauro Panunzio

    2013-10-01

    Full Text Available The review reports a short biography of the Italian naturalized chemist Hugo Schiff and an outline on the synthesis and use of his most popular discovery: the imines, very well known and popular as Schiff Bases. Recent developments on their “metallo-imines” variants have been described. The applications of Schiff bases in organic synthesis as partner in Staudinger and hetero Diels-Alder reactions, as “privileged” ligands in the organometallic complexes and as biological active Schiff intermediates/targets have been reported as well.

  5. Coordination chemistry of N-heterocyclic nitrenium-based ligands.

    Science.gov (United States)

    Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Mauda, Assaf; Nisnevich, Gennady; Botoshansky, Mark; Shimon, Linda J W; Gandelman, Mark

    2015-05-01

    Comprehensive studies on the coordination properties of tridentate nitrenium-based ligands are presented. N-heterocyclic nitrenium ions demonstrate general and versatile binding abilities to various transition metals, as exemplified by the synthesis and characterization of Rh(I) , Rh(III) , Mo(0) , Ru(0) , Ru(II) , Pd(II) , Pt(II) , Pt(IV) , and Ag(I) complexes based on these unusual ligands. Formation of nitrenium-metal bonds is unambiguously confirmed both in solution by selective (15) N-labeling experiments and in the solid state by X-ray crystallography. The generality of N-heterocyclic nitrenium as a ligand is also validated by a systematic DFT study of its affinity towards all second-row transition and post-transition metals (Y-Cd) in terms of the corresponding bond-dissociation energies.

  6. Analytical chemistry

    International Nuclear Information System (INIS)

    This book is comprised of nineteen chapters, which describes introduction of analytical chemistry, experimental error and statistics, chemistry equilibrium and solubility, gravimetric analysis with mechanism of precipitation, range and calculation of the result, volume analysis on general principle, sedimentation method on types and titration curve, acid base balance, acid base titration curve, complex and firing reaction, introduction of chemical electro analysis, acid-base titration curve, electrode and potentiometry, electrolysis and conductometry, voltammetry and polarographic spectrophotometry, atomic spectrometry, solvent extraction, chromatograph and experiments.

  7. [Practical chemistry education provided by team-based learning (TBL) and peer evaluation].

    Science.gov (United States)

    Yasuhara, Tomohisa; Konishi, Motomi; Nishida, Takahiro; Kushihata, Taro; Sone, Tomomichi; Kurio, Wasako; Yamamoto, Yumi; Nishikawa, Tomoe; Yanada, Kazuo; Nakamura, Mitsutaka

    2014-01-01

    Learning chemistry is cumulative: basic knowledge and chemical calculation skills are required to gain understanding of higher content. However, we often suffer from students' lack of learning skills to acquire these concepts. One of the reasons is the lack of adequate training in the knowledge and skills of chemistry, and one of the reasons for this lack is the lack of adequate evaluation of training procedures and content. Team-based learning (TBL) is a strong method for providing training in the knowledge and skills of chemistry and reaffirms the knowledge and skills of students of various levels. In our faculty, TBL exercises are provided for first-year students concurrently with lectures in physical chemistry and analytical chemistry. In this study, we researched the adoption of a peer evaluation process for this participatory learning model. Questionnaires taken after TBL exercises in the previous year showed a positive response to TBL. Further, a questionnaire taken after TBL exercises in the spring semester of the current year also yielded a positive response not only to TBL but also to peer evaluation. In addition, a significant correlation was observed between the improvement of students' grades in chemistry classes and the feeling the percentage (20%) of peer evaluation in overall evaluation low (logistic regression analysis, p=0.022). On the basis of the findings, we argue that TBL provides a generic, practical learning environment including an effective focus on learning strategy and evaluation of knowledge, skills, and attitudes, and studies on the educational effects of TBL and peer evaluation.

  8. DEVELOPING CREATIVE THINKING SKILLS AND CREATIVE ATTITUDE THROUGH PROBLEM BASED GREEN VISION CHEMISTRY ENVIRONMENT LEARNING

    Directory of Open Access Journals (Sweden)

    M. Nuswowati

    2015-11-01

    Full Text Available The purpose of this research is to build creative thinking skills and creative attitude of students through a model of problem-based lectures Environmental Chemistry (PBL Green Chemistry visionary. Mixed methods research design experimental models embedded with pretest-posttest control group were used in this study, and the differences between assumed initial end-tests as the effects of the treatment. Creative thinking skills measured by the essay tests, non test while the creative attitude is measured from the completed questionnaires consisting of positive and negative statements of markers creative attitude. Data measurement N-gain of creative thinking skills for the control and experimental group were 0.40 and 0.71, while the creative attitude were 0.08 and 0.34. Improved tests of creative thinking skills or creative attitudes were analyzed by t-test. Implementation of research findings indicate environmental chemistry lecture- problems based Green Chemistry vision can improve thinking skills and of creative student.

  9. Is Laboratory Based Instruction in Beginning College-Level Chemistry Worth the Effort and Expense?

    Science.gov (United States)

    Hilosky, Alexandra; Sutman, Frank; Schmuckler, Joseph

    1998-01-01

    The authors report on one of a series of studies related to seeking a more effective role for laboratory experience in science instruction. This particular study addresses the status of laboratory based instruction in chemistry at the beginning college level for majors and nonmajors. The study is of interest to those who seek effective means of reforming beginning college level chemistry instruction in ways that give greater emphasis to laboratory based experiences. The study sample consists of 24 college chemistry instructors, and 3000 students from 24 laboratory sessions in 16 institutions of higher education (IHE) located throughout 5 states in the Northeast region of the U.S. An additional IHE in Germany was included for purposes of comparison because of the knowledge that the approach to chemistry instruction in Germany differed substantially from those practiced in the U.S. Pre-, post and actual laboratory sessions were videotaped. Teaching behaviors were analyzed and categorized using the validated MR-STBI (Modified-Revised Science Teacher Behavior Inventory). The fit between instructors' expectations and students' cognitive levels were also examined. This study describes 15 behaviors most and least frequently practiced; a comparison between U.S. and german instruction; and recommendations for instructional reform in the U.S.

  10. Public perception of chemistry

    OpenAIRE

    Stražar, Alenka

    2015-01-01

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

  11. Doped aluminium based spinels synthesized by a soft chemistry method

    International Nuclear Information System (INIS)

    Structural and optical properties of (Co0.01Zn0.99)Al2O4 and Zn(Al1.99Ln0.01)O4 (where Ln(III) = Eu(III), Tb(III)) spinels obtained by a variant of the complexation method-tartarate route were studied. The tartarate precursors have been characterized by IR, UV-vis and luminescence spectroscopy. The doped aluminium based spinels have been investigated by X-ray diffraction (XRD), transsmision electron microscopy (TEM), infrared spectroscopy (IR), ultraviolet visible spectroscopy (UV-vis) and luminescence spectroscopy. Pure spinel nanometer powders were obtained. Under excitation at 380 nm the nanoparticles exhibits strong luminescence corresponding to 5D0 → 7F2 transition of Eu3+ ions and respectively, to 5D4 → 7Fj (j = 3, 4, 5, 6) transition of Tb3+ ions. No blue emission from the 5D3 state were observed.

  12. Smart phone-based Chemistry Instrumentation: Digitization of Colorimetric Measurements

    International Nuclear Information System (INIS)

    This report presents a mobile instrumentation platform based on a smart phone using its built-in functions for colorimetric diagnosis. The color change as a result of detection is taken as a picture through a CCD camera built in the smart phone, and is evaluated in the form of the hue value to give the well-defined relationship between the color and the concentration. To prove the concept in the present work, proton concentration measurements were conducted on pH paper coupled with a smart phone for demonstration. This report is believed to show the possibility of adapting a smart phone to a mobile analytical transducer, and more applications for bioanalysis are expected to be developed using other built-in functions of the smart phone

  13. Development and Evaluation of Internet-Based Hypermedia Chemistry Tutorials

    Science.gov (United States)

    Tissue, Brian M.; Earp, Ronald L.; Yip, Ching-Wan; Anderson, Mark R.

    1996-05-01

    This progress report describes the development and student use of World-Wide-Web-based prelaboratory exercises in senior-level Instrumental Analysis during the 1995 Fall semester. The laboratory preparation exercises contained hypermedia tutorials and multiple-choice questions that were intended to familiarize the students with the experiments and instrumentation before their laboratory session. The overall goal of our work is to explore ways in which computer and network technology can be applied in education to improve the cost-effectiveness and efficacy of teaching. The course material can be accessed at http://www.chem.vt.edu/chem-ed/4114/Fall1995.html. The students were instructed to read their experimental procedure and to do the relevant laboratory preparation exercise. The individual tutorial documents were primarily text that provided basic theoretical and experimental descriptions of analytical and instrumental methods. The documents included hyperlinks to basic concepts, simple schematics, and color graphics of experimental set-ups or instrumentation. We chose the World-Wide Web (WWW) as the delivery platform for this project because of the ease of developing, distributing, and modifying hypermedia material in a client-server system. The disadvantage of the WWW is that network bandwidth limits the size and sophistication of the hypermedia material. To minimize internet transfer time, the individual documents were kept short and usually contained no more than 3 or 4 inline images. After reading the tutorial the students answered several multiple-choice questions. The figure shows one example of a multiple-choice question and the response page. Clicking on the "Submit answer" button calls a *.cgi file, which contains instructions in the PERL interpretive language, that generates the response page and saves the date, time, and student's answer to a file on the server. Usage and student perception of the on-line material was evaluated from server logs and

  14. Doped aluminium based spinels synthesized by a soft chemistry method

    Energy Technology Data Exchange (ETDEWEB)

    Mindru, Ioana; Marinescu, Gabriela; Gingasu, Dana [Ilie Murgulescu Institute of Physical Chemistry, Splaiul Independentei 202, Bucharest 060021 (Romania); Patron, Luminita, E-mail: Luminita_Patron@yahoo.com [Ilie Murgulescu Institute of Physical Chemistry, Splaiul Independentei 202, Bucharest 060021 (Romania); Diamandescu, Lucian; Ghica, Corneliu; Mironov, Brandusa [National Institute for Materials Physics, Atomistilor Street, No. 105 bis, P.O. Box Mg-7, Bucharest-Magurele R 077125 (Romania)

    2010-06-15

    Structural and optical properties of (Co{sub 0.01}Zn{sub 0.99})Al{sub 2}O{sub 4} and Zn(Al{sub 1.99}Ln{sub 0.01})O{sub 4} (where Ln(III) = Eu(III), Tb(III)) spinels obtained by a variant of the complexation method-tartarate route were studied. The tartarate precursors have been characterized by IR, UV-vis and luminescence spectroscopy. The doped aluminium based spinels have been investigated by X-ray diffraction (XRD), transsmision electron microscopy (TEM), infrared spectroscopy (IR), ultraviolet visible spectroscopy (UV-vis) and luminescence spectroscopy. Pure spinel nanometer powders were obtained. Under excitation at 380 nm the nanoparticles exhibits strong luminescence corresponding to {sup 5}D{sub 0} {yields} {sup 7}F{sub 2} transition of Eu{sup 3+} ions and respectively, to {sup 5}D{sub 4} {yields} {sup 7}F{sub j} (j = 3, 4, 5, 6) transition of Tb{sup 3+} ions. No blue emission from the {sup 5}D{sub 3} state were observed.

  15. Academic Success in Context-Based Chemistry: Demonstrating fluid transitions between concepts and context

    Science.gov (United States)

    King, Donna Therese; Ritchie, Stephen M.

    2013-05-01

    Curriculum developers and researchers have promoted context-based programmes to arrest waning student interest and participation in the enabling sciences at high school and university. Context-based programmes aim for student connections between scientific discourse and real-world contexts to elevate curricular relevance without diminishing conceptual understanding. This interpretive study explored the learning transactions in one 11th grade context-based chemistry classroom where the context was the local creek. The dialectic of agency/structure was used as a lens to examine how the practices in classroom interactions afforded students the agency for learning. The results suggest that first, fluid transitions were evident in the student-student interactions involving successful students; and second, fluid transitions linking concepts to context were evident in the students' successful reports. The study reveals that the structures of writing and collaborating in groups enabled students' agential and fluent movement between the field of the real-world creek and the field of the formal chemistry classroom. Furthermore, characteristics of academically successful students in context-based chemistry are highlighted. Research, teaching, and future directions for context-based science teaching are discussed.

  16. Students' perceptions of teaching in context-based and traditional chemistry classrooms : Comparing content, learning activities, and interpersonal perspectives

    NARCIS (Netherlands)

    Overman, Michelle; Vermunt, Jan D.; Meijer, Paulien C.; Bulte, Astrid M W; Brekelmans, Mieke

    2014-01-01

    Context-based curriculum reforms in chemistry education are thought to bring greater diversity to the ways in which chemistry teachers organize their teaching. First and foremost, students are expected to perceive this diversity. However, empirical research on how students perceive their teacher's t

  17. The Efficacy of Problem-Based Learning in an Analytical Laboratory Course for Pre-Service Chemistry Teachers

    Science.gov (United States)

    Yoon, Heojeong; Woo, Ae Ja; Treagust, David; Chandrasegaran, A. L.

    2014-01-01

    The efficacy of problem-based learning (PBL) in an analytical chemistry laboratory course was studied using a programme that was designed and implemented with 20 students in a treatment group over 10 weeks. Data from 26 students in a traditional analytical chemistry laboratory course were used for comparison. Differences in the creative thinking…

  18. Development and Preliminary Impacts of the Implementation of an Authentic Research-Based Experiment in General Chemistry

    Science.gov (United States)

    Tomasik, Janice Hall; Cottone, Katelyn E.; Heethuis, Mitchell T.; Mueller, Anja

    2013-01-01

    Incorporating research-based lab activities into general chemistry at a large university can be challenging, considering the high enrollments and costs typically associated with the courses. Performing sweeping curricular overhauls of the general chemistry laboratory can be difficult, and in some cases discouraged, as many would rather maintain…

  19. Spin-Based Quantum Computers made by Chemistry: Hows and Whys

    OpenAIRE

    Stamp, Philip C. E.; Gaita-Ariño, Alejandro

    2008-01-01

    This introductory review discusses the main problems facing the attempt to build quantum information processing systems (like quantum computers) from spin-based qubits. We emphasize 'bottom-up' attempts using methods from chemistry. The essentials of quantum computing are explained, along with a description of the qubits and their interactions in terms of physical spin qubits. The main problem to be overcome is decoherence - how this works is described, along with ways to suppress contributio...

  20. INNOVATION IN ORGANIC CHEMISTRY PRACTICAL WORKS, USING PROBLEM-BASED LEARNING AS TEACHING STRATEGY

    OpenAIRE

    Miriam G. Acuña; Nora M. Sosa; Eusebia C. Valdez

    2011-01-01

    This paper presents the teaching strategy known as problem-based learning as an innovation implemented in the practical experiences of the Organic Chemistry course (Bachelor of Genetics), Faculty of Exact, Chemical and Natural Sciences (Universidad Nacional de Misiones, Argentina). It reviews the results of the experience implemented with students, in groups of 7 selected according to their preferences. A problem that required skills in planning, decision making process, thinking, using of ap...

  1. Quantum Algorithms for Quantum Chemistry based on the sparsity of the CI-matrix

    OpenAIRE

    Toloui, Borzu; Love, Peter J.

    2013-01-01

    Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure Hamiltonian - necessitating qubit requirements that scale linearly with the number of orbitals. The scaling of the number of gates for such methods, while polynomial, presents some serious experimental challenges. However, because the number of electrons is a...

  2. Adsorption of atrazine on hemp stem-based activated carbons with different surface chemistry

    OpenAIRE

    Lupul, Iwona; Yperman, Jan; Carleer, Robert; Gryglewicz, Grazyna

    2015-01-01

    Surface-modified hemp stem-based activated carbons (HACs) were prepared and used for the adsorption of atrazine from aqueous solution, and their adsorption performance was examined. A series of HACs were prepared by potassium hydroxide activation of hemp stems, followed by subsequent modification by thermal annealing, oxidation with nitric acid and amination. The resultant HACs differed in surface chemistry, while possessing similar porous structure. The surface group characteristics were exa...

  3. Developing a computer-based assessment of complex problem solving in Chemistry

    OpenAIRE

    Scherer, Ronny; Meßinger-Koppelt, Jenny; Tiemann, Rüdiger

    2014-01-01

    Background Complex problem-solving competence is regarded as a key construct in science education. But due to the necessity of using interactive and intransparent assessment procedures, appropriate measures of the construct are rare. This paper consequently presents the development and validation of a computer-based problem-solving environment, which can be used to assess students' performance on complex problems in Chemistry. The test consists of four scales, namely, under...

  4. Now for the Science Bit: Implementing Community-based Learning in Chemistry

    OpenAIRE

    Mc Donnell, Claire; Ennis, Patricia; Shoemaker, Leslie

    2011-01-01

    Purpose – The purpose of this paper is to contribute to the understanding of student learning from community engagement by critically assessing the implementation of this pedagogical approach in the context of teaching and learning chemistry and also evaluating the role of personal development in student-community engagement. Design/methodology/approach – A case study on the implementation since 2007 of community-based learning (also called service-learning) projects in an academic departm...

  5. Measurement-based modeling of bromine chemistry in the boundary layer: 1. Bromine chemistry at the Dead Sea

    Directory of Open Access Journals (Sweden)

    E. Tas

    2006-01-01

    Full Text Available The Dead Sea is an excellent natural laboratory for the investigation of Reactive Bromine Species (RBS chemistry, due to the high RBS levels observed in this area, combined with anthropogenic air pollutants up to several ppb. The present study investigated the basic chemical mechanism of RBS at the Dead Sea using a numerical one-dimensional chemical model. Simulations were based on data obtained from comprehensive measurements performed at sites along the Dead Sea. The simulations showed that the high BrO levels measured frequently at the Dead Sea could only partially be attributed to the highly concentrated Br− present in the Dead Sea water. Furthermore, the RBS activity at the Dead Sea cannot solely be explained by a pure gas phase mechanism. This paper presents a chemical mechanism which can account for the observed chemical activity at the Dead Sea, with the addition of only two heterogeneous processes: the "Bromine Explosion" mechanism and the heterogeneous decomposition of BrONO2. Ozone frequently dropped below a threshold value of ~1 to 2 ppbv at the Dead Sea evaporation ponds, and in such cases, O3 became a limiting factor for the production of BrOx (BrO+Br. The entrainment of O3 fluxes into the evaporation ponds was found to be essential for the continuation of RBS activity, and to be the main reason for the jagged diurnal pattern of BrO observed in the Dead Sea area, and for the positive correlation observed between BrO and O3 at low O3 concentrations. The present study has shown that the heterogeneous decomposition of BrONO2 has a great potential to affect the RBS activity in areas influenced by anthropogenic emissions, mainly due to the positive correlation between the rate of this process and the levels of NO2. Further investigation of the influence of the decomposition of BrONO2 may be especially important in understanding the RBS activity at mid-latitudes.

  6. Measurement-based modeling of bromine chemistry in the boundary layer: 1. Bromine chemistry at the Dead Sea

    Directory of Open Access Journals (Sweden)

    A. Pour Biazar

    2006-06-01

    Full Text Available The Dead Sea is an excellent natural laboratory for the investigation of Reactive Bromine Species (RBS chemistry, due to the high RBS levels observed in this area, combined with anthropogenic air pollutants up to several ppb. The present study investigated the chemical mechanism of RBS at the Dead Sea using a numerical one-dimensional chemical model. Simulations were based on data obtained from comprehensive measurements performed at sites along the Dead Sea. The simulations showed that the high BrO levels measured frequently at the Dead Sea could only partially be attributed to the highly concentrated Br− present in the Dead Sea water. Further, the RBS activity at the Dead Sea cannot solely be explained by a pure gas phase mechanism. This paper presents a chemical mechanism which can account for the observed chemical activity at the Dead Sea, with the addition of only two heterogeneous processes: the "Bromine Explosion" mechanism and the heterogeneous decomposition of BrONO2. Ozone frequently dropped below a threshold value of ~1 to 2 ppbv at the Dead Sea evaporation ponds, and in such cases, O3 became a limiting factor for the production of BrOx (BrO+Br. The entrainment of O3 fluxes into the evaporation ponds was found to be essential for the continuation of RBS activity, and to be the main reason for the positive correlation observed between BrO and O3 at low O3 concentrations, and for the jagged diurnal pattern of BrO observed in the Dead Sea area. The present study has shown that the heterogeneous decomposition of BrONO2 has the potential to greatly affect the RBS activity in areas under anthropogenic influence, mainly due to the positive correlation between the rate of this process and the levels of NO2. Further investigation of the influence of the decomposition of BrONO2 may be especially important in understanding the RBS activity at mid-latitudes.

  7. Stability of genetic-based defensive chemistry across life stages in a Eucalyptus species.

    Science.gov (United States)

    O'Reilly-Wapstra, Julianne M; Humphreys, Jonathan R; Potts, Brad M

    2007-10-01

    Defensive chemistry is a key plant fitness trait, and the investigation of the expression of plant secondary metabolites across life stages is important in understanding the lifetime evolutionary selection pressures on a plant. The expression of genetic-based differences in foliar defensive chemistry, known to influence mammalian herbivore preferences, was studied across two contrasting life phases of the heteroblastic tree, Eucalyptus globulus. With plants from different subraces of E. globulus growing in a field trial, we compared the levels of seven chemical constituents in adult and juvenile foliage from related coppiced plants. Defensive chemistry was generally higher in more vulnerable coppice foliage than adult foliage. Significant, genetic-based differences among subraces were detected for two key defensive chemicals, a sideroxylonal and a macrocarpal, and these differences were stable across life phases. In contrast, significant differences among subraces in adult leaf condensed tannins were not evident in the coppice because of the absence of this group of tannins in this foliage. These findings lend support to hypotheses that suggest condensed tannins may have evolved for reasons other than mammalian herbivore defense.

  8. Graphene and graphene-based nanomaterials: the promising materials for bright future of electroanalytical chemistry.

    Science.gov (United States)

    Chen, Xiao-mei; Wu, Geng-huang; Jiang, Ya-qi; Wang, Yi-ru; Chen, Xi

    2011-11-21

    Similar to its popular older cousins of fullerene and carbon nanotubes (CNTs), the latest form of nanocarbon, graphene, is inspiring intensive research efforts in its own right. As an atomically thin layer of sp(2)-hybridized carbon, graphene possesses spectacular electronic, optical, magnetic, thermal and mechanical properties, which make it an exciting material in a variety of important applications. In this review, we present the current advances in the field of graphene electroanalytical chemistry, including the modern methods of graphene production, and graphene functionalization. Electrochemical (bio) sensing developments using graphene and graphene-based materials are summarized in more detail, and we also speculate on their future and discuss potential progress for their applications in electroanalytical chemistry.

  9. Relationship of students' conceptual representations and problem-solving abilities in acid-base chemistry

    Science.gov (United States)

    Powers, Angela R.

    2000-10-01

    This study explored the relationship between secondary chemistry students' conceptual representations of acid-base chemistry, as shown in student-constructed concept maps, and their ability to solve acid-base problems, represented by their score on an 18-item paper and pencil test, the Acid-Base Concept Assessment (ABCA). The ABCA, consisting of both multiple-choice and short-answer items, was originally designed using a question-type by subtopic matrix, validated by a panel of experts, and refined through pilot studies and factor analysis to create the final instrument. The concept map task included a short introduction to concept mapping, a prototype concept map, a practice concept-mapping activity, and the instructions for the acid-base concept map task. The instruments were administered to chemistry students at two high schools; 108 subjects completed both instruments for this study. Factor analysis of ABCA results indicated that the test was unifactorial for these students, despite the intention to create an instrument with multiple "question-type" scales. Concept maps were scored both holistically and by counting valid concepts. The two approaches were highly correlated (r = 0.75). The correlation between ABCA score and concept-map score was 0.29 for holistically-scored concept maps and 0.33 for counted-concept maps. Although both correlations were significant, they accounted for only 8.8 and 10.2% of variance in ABCA scores, respectively. However, when the reliability of the instruments used is considered, more than 20% of the variance in ABCA scores may be explained by concept map scores. MANOVAs for ABCA and concept map scores by instructor, student gender, and year in school showed significant differences for both holistic and counted concept-map scores. Discriminant analysis revealed that the source of these differences was the instruction variable. Significant differences between classes receiving different instruction were found in the frequency of

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

    Science.gov (United States)

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

    2014-10-01

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

  11. Rethinking chemistry in higher education towards technologyenhanced problem-based learning

    OpenAIRE

    Ramstedt, Madeleine; Hedlund, Tomas; Björn, Erik; Fick, Jerker; Jahnke, Isa

    2016-01-01

    A range of factors can lead to situations where university courses have to be taught with a very small number of students. In this paper, we report on our experiences of a chemistry course that was especially designed to encourage learning in small groups of students (four to five per course). The course design included inquiry-based approaches, case methodology and problem-based learning concepts. The main goal was to enhance student motivation and to support them to become active agents (‘p...

  12. Teaching Green and Sustainable Chemistry: A Revised One-Semester Course Based on Inspirations and Challenges

    Science.gov (United States)

    Marteel-Parrish, Anne E.

    2014-01-01

    An elective course, "Toward the Greening of Our Minds": Green and Sustainable Chemistry, has been offered at Washington College since 2005. This new course without laboratory is designed for chemistry and biology majors and minors who have previously taken two semesters of general chemistry and organic chemistry. Due to the popularity of…

  13. DEVELOPMENT ASSESSMENT OF ALTERNATIVE PRACTICUM II BASIC CHEMICAL THROUGH CHEMISTRY FAIR PROJECT ( CFP BASED CONSERVATION USING CHEMICAL DAILY

    Directory of Open Access Journals (Sweden)

    I. Urwatin Wusqo

    2015-11-01

    Full Text Available This study aims to (1 develop an alternative assessment on the 2nd General Chemistry Experiment through conservation-based chemistry fair project by utilizing the daily chemical (2 Determine the level of validity, practicality and effectiveness. This research is the development (Research Development development model applied Dick and Carey (1985. The subject of limited testing and field trials is subject lecturers and students of Science Education UNNES. Determined by purposive sample, the lecturers and the students who take the course 2nd General Chemistry Experiment. The data obtained from this trial are: (1 input from experts, to determine the content and construct validity of the assessment feature; (2 input from a limited sample testing, to determine the practicality of chemistry clue fair project (CFP based conservation by utilizing chemical daily; Instrument data collectors in the form of a questionnaire legibility chemistry making instructions fair project (CFP based conservation by utilizing daily chemical, scoring guidelines. (3 student learning outcomes data to determine the effectiveness of the assessment. Input from experts student questionnaire, and the value of chemistry fair project (CFP limited test samples analyzed qualitatively and quantitatively. Assessment of 2nd General Chemistry Experiment alternative developed is successful well-developed assessment if valid, practical, and effective.

  14. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D

    2011-01-01

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

  15. Applications of monolithic solid-phase extraction in chromatography-based clinical chemistry assays.

    Science.gov (United States)

    Bunch, Dustin R; Wang, Sihe

    2013-04-01

    Complex matrices, for example urine, serum, plasma, and whole blood, which are common in clinical chemistry testing, contain many non-analyte compounds that can interfere with either detection or in-source ionization in chromatography-based assays. To overcome this problem, analytes are extracted by protein precipitation, solid-phase extraction (SPE), and liquid-liquid extraction. With correct chemistry and well controlled material SPE may furnish clean specimens with consistent performance. Traditionally, SPE has been performed with particle-based adsorbents, but monolithic SPE is attracting increasing interest of clinical laboratories. Monoliths, solid pieces of stationary phase, have bimodal structures consisting of macropores, which enable passage of solvent, and mesopores, in which analytes are separated. This structure results in low back-pressure with separation capabilities similar to those of particle-based adsorbents. Monoliths also enable increased sample throughput, reduced solvent use, varied support formats, and/or automation. However, many of these monoliths are not commercially available. In this review, application of monoliths to purification of samples from humans before chromatography-based assays will be critically reviewed.

  16. Computational Materials Science and Chemistry: Accelerating Discovery and Innovation through Simulation-Based Engineering and Science

    Energy Technology Data Exchange (ETDEWEB)

    Crabtree, George [Argonne National Lab. (ANL), Argonne, IL (United States); Glotzer, Sharon [University of Michigan; McCurdy, Bill [University of California Davis; Roberto, Jim [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2010-07-26

    This report is based on a SC Workshop on Computational Materials Science and Chemistry for Innovation on July 26-27, 2010, to assess the potential of state-of-the-art computer simulations to accelerate understanding and discovery in materials science and chemistry, with a focus on potential impacts in energy technologies and innovation. The urgent demand for new energy technologies has greatly exceeded the capabilities of today's materials and chemical processes. To convert sunlight to fuel, efficiently store energy, or enable a new generation of energy production and utilization technologies requires the development of new materials and processes of unprecedented functionality and performance. New materials and processes are critical pacing elements for progress in advanced energy systems and virtually all industrial technologies. Over the past two decades, the United States has developed and deployed the world's most powerful collection of tools for the synthesis, processing, characterization, and simulation and modeling of materials and chemical systems at the nanoscale, dimensions of a few atoms to a few hundred atoms across. These tools, which include world-leading x-ray and neutron sources, nanoscale science facilities, and high-performance computers, provide an unprecedented view of the atomic-scale structure and dynamics of materials and the molecular-scale basis of chemical processes. For the first time in history, we are able to synthesize, characterize, and model materials and chemical behavior at the length scale where this behavior is controlled. This ability is transformational for the discovery process and, as a result, confers a significant competitive advantage. Perhaps the most spectacular increase in capability has been demonstrated in high performance computing. Over the past decade, computational power has increased by a factor of a million due to advances in hardware and software. This rate of improvement, which shows no sign of

  17. Synthetics, mineral oils, and bio-based lubricants chemistry and technology

    CERN Document Server

    Rudnick, Leslie R

    2005-01-01

    As the field of tribology has evolved, the lubrication industry is also progressing at an extraordinary rate. Updating the author's bestselling publication, Synthetic Lubricants and High-Performance Functional Fluids, this book features the contributions of over 60 specialists, ten new chapters, and a new title to reflect the evolving nature of the field: Synthetics, Mineral Oils, and Bio-Based Lubricants: Chemistry and Technology. The book contains chapters on all major lubricant fluids used in a wide range of applications. For each type of lubricant, the authors discuss the historical develo

  18. Chemistry of stannylene-based Lewis pairs: dynamic tin coordination switching between donor and acceptor character.

    Science.gov (United States)

    Krebs, Kilian M; Freitag, Sarah; Schubert, Hartmut; Gerke, Birgit; Pöttgen, Rainer; Wesemann, Lars

    2015-03-16

    The coordination chemistry of cyclic stannylene-based intramolecular Lewis pairs is presented. The P→Sn adducts were treated with [Ni(COD)2] and [Pd(PCy3)2] (COD = 1,5-cyclooctadiene, PCy3 = tricyclohexylphosphine). In the isolated coordination compounds the stannylene moiety acts either as an acceptor or a donor ligand. Examples of a dynamic switch between these two coordination modes of the P-Sn ligand are illustrated and the structures in the solid state together with heteronuclear NMR spectroscopic findings are discussed. In the case of a Ni(0) complex, (119)Sn Mössbauer spectroscopy of the uncoordinated and coordinated phosphastannirane ligand is presented.

  19. Nonlinear theory of combustion stability in liquid rocket engine based on chemistry dynamics

    Institute of Scientific and Technical Information of China (English)

    黄玉辉; 王振国; 周进

    2002-01-01

    Detailed models of combustion instability based on chemistry dynamics are developed. The results show that large activation energy goes against the combustion stability. The heat transfer coefficient between the wall and the combust gas is an important bifurcation parameter for the combustion instability. The acoustics modes of the chamber are in competition and cooperation with each other for limited vibration energy. Thermodynamics criterion of combustion stability can be deduced from the nonlinear thermodynamics. Correlations of the theoretical results and historical experiments indicate that chemical kinetics play a critical role in the combustion instability.

  20. Thinking about online sources: Exploring students' epistemic cognition in internet-based chemistry learning

    Science.gov (United States)

    Dai, Ting

    This dissertation investigated the relation between epistemic cognition---epistemic aims and source beliefs---and learning outcome in an Internet--based research context. Based on a framework of epistemic cognition (Chinn, Buckland, & Samarapungavan, 2011), a context--specific epistemic aims and source beliefs questionnaire (CEASBQ) was developed and administered to 354 students from college--level introductory chemistry courses. A series of multitrait--multimethod model comparisons provided evidence for construct convergent and discriminant validity for three epistemic aims--- true beliefs, justified beliefs, explanatory connection, which were all distinguished from, yet correlated with, mastery goals. Students' epistemic aims were specific to the chemistry topics in research. Multidimensional scaling results indicated that students' source evaluation was based on two dimensions--- professional expertise and first--hand knowledge, suggesting a multidimensional structure of source beliefs. Most importantly, online learning outcome was found to be significantly associated with two epistemic aims---justified beliefs and explanatory connection: The more students sought justifications in the online research, the lower they tended to score on the learning outcome measure, whereas the more students sought explanatory connections between information, the higher they scored on the outcome measure. There was a significant but small positive association between source beliefs and learning outcome. The influences of epistemic aims and source beliefs on learning outcome were found to be above and beyond the effects of a number of covariates, including prior knowledge and perceived ability with online sources.

  1. Impact of STS (Context-Based Type of Teaching) in Comparison with a Textbook Approach on Attitudes and Achievement in Community College Chemistry Classrooms

    Science.gov (United States)

    Perkins, Gita

    2011-01-01

    The purpose of this study was to analyze the impact of a context-based teaching approach (STS) versus a more traditional textbook approach on the attitudes and achievement of community college chemistry students. In studying attitudes toward chemistry within this study, I used a 30-item Likert scale in order to study the importance of chemistry in…

  2. Pre-Nursing Students Perceptions of Traditional and Inquiry Based Chemistry Laboratories

    Science.gov (United States)

    Rogers, Jessica

    This paper describes a process that attempted to meet the needs of undergraduate students in a pre-nursing chemistry class. The laboratory was taught in traditional verification style and students were surveyed to assess their perceptions of the educational goals of the laboratory. A literature review resulted in an inquiry based method and analysis of the needs of nurses resulted in more application based activities. This new inquiry format was implemented the next semester, the students were surveyed at the end of the semester and results were compared to the previous method. Student and instructor response to the change in format was positive. Students in the traditional format placed goals concerning technique above critical thinking and felt the lab was easy to understand and carry out. Students in the inquiry based lab felt they learned more critical thinking skills and enjoyed the independence of designing experiments and answering their own questions.

  3. Accelerated electronic structure-based molecular dynamics simulations of shock-induced chemistry

    Science.gov (United States)

    Cawkwell, Marc

    2015-06-01

    The initiation and progression of shock-induced chemistry in organic materials at moderate temperatures and pressures are slow on the time scales available to regular molecular dynamics simulations. Accessing the requisite time scales is particularly challenging if the interatomic bonding is modeled using accurate yet expensive methods based explicitly on electronic structure. We have combined fast, energy conserving extended Lagrangian Born-Oppenheimer molecular dynamics with the parallel replica accelerated molecular dynamics formalism to study the relatively sluggish shock-induced chemistry of benzene around 13-20 GPa. We model interatomic bonding in hydrocarbons using self-consistent tight binding theory with an accurate and transferable parameterization. Shock compression and its associated transient, non-equilibrium effects are captured explicitly by combining the universal liquid Hugoniot with a simple shrinking-cell boundary condition. A number of novel methods for improving the performance of reactive electronic structure-based molecular dynamics by adapting the self-consistent field procedure on-the-fly will also be discussed. The use of accelerated molecular dynamics has enabled us to follow the initial stages of the nucleation and growth of carbon clusters in benzene under thermodynamic conditions pertinent to experiments.

  4. Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

    Science.gov (United States)

    Liechty, Derek S.; Lewis, Mark

    2010-01-01

    A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

  5. The Importance of Computer Based Active Learning for Basic Chemistry in Vocational High Schools

    Directory of Open Access Journals (Sweden)

    Tuğçe GÜNTER

    2011-01-01

    Full Text Available Chemistry is a very comprehensive discipline that researches atoms; molecules; the structure of matter in the form of element or compound; combinations, and physical and chemical properties of matter; macroscopic and microscopic transformations of matters; the energy and entropy released or absorbed in the course of these transformations; the structures and functions of carbohydrates, lipids, proteins, enzymes, vitamins and minerals in the body. This discipline includes numerous reactions at the macroscopic, microscopic and particulate levels, abstract concepts, three-dimensional structure of molecules, mathematics, and graphics. It is important for students to be trained as scientists to internalize -with meaningful learning - chemistry having much abstract concepts. Especially for students in associate degree programs in Vocational High Schools, taking this integrated course will provide them to be more creative in their future professional work; to cope with and overcome analytical problems; to be self-learners; to fill the gaps concerning chemical analysis originated from secondary education; and to gain critical thinking and self-evaluation skills regarding chemical problems. In the age of developing science and technology, “Computer-Based Active Learning Method” emerged with the introduction of multi-media into education and training. In this context, students will learn difficult and complex mathematical operations and graphics interpretations more meaningfully with computer-based simulations and analogies.

  6. Research on Application to College Study in Organic Chemistry Teaching based on Computer Software

    OpenAIRE

    Wang Jing

    2016-01-01

    In order to give more accurate response to some basic chemical problems, it relates to the theoretical analysis and calculation so the computer chemistry has been developed rapidly. The computational chemistry software has its unique properties and it can achieve human-computer interaction showing vividness and intuitivenes setc. the effect is signifcant, which concrete teaching case analysis and in chemistry teaching by making good use of computer chemistry software so as to improve the actu...

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

    Science.gov (United States)

    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

  8. Calcium-based multi-element chemistry for grid-scale electrochemical energy storage

    Science.gov (United States)

    Ouchi, Takanari; Kim, Hojong; Spatocco, Brian L.; Sadoway, Donald R.

    2016-01-01

    Calcium is an attractive material for the negative electrode in a rechargeable battery due to its low electronegativity (high cell voltage), double valence, earth abundance and low cost; however, the use of calcium has historically eluded researchers due to its high melting temperature, high reactivity and unfavorably high solubility in molten salts. Here we demonstrate a long-cycle-life calcium-metal-based rechargeable battery for grid-scale energy storage. By deploying a multi-cation binary electrolyte in concert with an alloyed negative electrode, calcium solubility in the electrolyte is suppressed and operating temperature is reduced. These chemical mitigation strategies also engage another element in energy storage reactions resulting in a multi-element battery. These initial results demonstrate how the synergistic effects of deploying multiple chemical mitigation strategies coupled with the relaxation of the requirement of a single itinerant ion can unlock calcium-based chemistries and produce a battery with enhanced performance. PMID:27001915

  9. Calcium-based multi-element chemistry for grid-scale electrochemical energy storage

    Science.gov (United States)

    Ouchi, Takanari; Kim, Hojong; Spatocco, Brian L.; Sadoway, Donald R.

    2016-03-01

    Calcium is an attractive material for the negative electrode in a rechargeable battery due to its low electronegativity (high cell voltage), double valence, earth abundance and low cost; however, the use of calcium has historically eluded researchers due to its high melting temperature, high reactivity and unfavorably high solubility in molten salts. Here we demonstrate a long-cycle-life calcium-metal-based rechargeable battery for grid-scale energy storage. By deploying a multi-cation binary electrolyte in concert with an alloyed negative electrode, calcium solubility in the electrolyte is suppressed and operating temperature is reduced. These chemical mitigation strategies also engage another element in energy storage reactions resulting in a multi-element battery. These initial results demonstrate how the synergistic effects of deploying multiple chemical mitigation strategies coupled with the relaxation of the requirement of a single itinerant ion can unlock calcium-based chemistries and produce a battery with enhanced performance.

  10. Research on Application to College Study in Organic Chemistry Teaching based on Computer Software

    Directory of Open Access Journals (Sweden)

    Wang Jing

    2016-01-01

    Full Text Available In order to give more accurate response to some basic chemical problems, it relates to the theoretical analysis and calculation so the computer chemistry has been developed rapidly. The computational chemistry software has its unique properties and it can achieve human-computer interaction showing vividness and intuitivenes setc. the effect is signifcant, which concrete teaching case analysis and in chemistry teaching by making good use of computer chemistry software so as to improve the actual effect of classroom teaching enrich the teaching contents in class animate the classroom atmosphere and enhance students enthusiasm of learning chemistry.

  11. Tetrazine-based chemistry for nitrite determination in a paper microfluidic device.

    Science.gov (United States)

    Ortiz-Gomez, Inmaculada; Ortega-Muñoz, Mariano; Salinas-Castillo, Alfonso; Álvarez-Bermejo, José Antonio; Ariza-Avidad, Maria; de Orbe-Payá, Ignacio; Santoyo-Gonzalez, Francisco; Capitan-Vallvey, Luis Fermin

    2016-11-01

    We present a new chemistry to determine nitrites implemented in a microfluidic paper-based analytical device (µPAD). The device is fabricated in cellulose paper with a sample reception area and three replicate detection areas with recognition chemistry immobilized by adsorption. The method involves the use of nitrite in an acid medium reaction to generate nitrous acid, which produces the oxidation of s-dihydrotetrazine: 1,2-dihydro-3,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine (DHBPTz), which change the detection zone from colorless to pink. We used a digital camera and smartphone for the quantitative analysis of nitrite with the color coordinate S of the HSV color space as the analytical parameter. Parameters such as concentration and volume of s-dihydrotetrazine, pH, sample volume and reaction time were studied. The detection limit for this method is 1.30µM nitrite. To estimate the selectivity of the method an interference study of common ions in water samples was performed. The procedure was applied to natural water and compared with reference procedures. PMID:27591668

  12. Peptide tag/probe pairs based on the coordination chemistry for protein labeling.

    Science.gov (United States)

    Uchinomiya, Shohei; Ojida, Akio; Hamachi, Itaru

    2014-02-17

    Protein-labeling methods serve as essential tools for analyzing functions of proteins of interest under complicated biological conditions such as in live cells. These labeling methods are useful not only to fluorescently visualize proteins of interest in biological systems but also to conduct protein and cell analyses by harnessing the unique functions of molecular probes. Among the various labeling methods available, an appropriate binding pair consisting of a short peptide and a de novo designed small molecular probe has attracted attention because of its wide utility and versatility. Interestingly, most peptide tag/probe pairs exploit metal-ligand coordination interactions as the main binding force responsible for their association. Herein, we provide an overview of the recent progress of these coordination-chemistry-based protein-labeling methods and their applications for fluorescence imaging and functional analysis of cellular proteins, while highlighting our originally developed labeling methods. These successful examples clearly exemplify the utility and versatility of metal coordination chemistry in protein functional analysis.

  13. Tetrazine-based chemistry for nitrite determination in a paper microfluidic device.

    Science.gov (United States)

    Ortiz-Gomez, Inmaculada; Ortega-Muñoz, Mariano; Salinas-Castillo, Alfonso; Álvarez-Bermejo, José Antonio; Ariza-Avidad, Maria; de Orbe-Payá, Ignacio; Santoyo-Gonzalez, Francisco; Capitan-Vallvey, Luis Fermin

    2016-11-01

    We present a new chemistry to determine nitrites implemented in a microfluidic paper-based analytical device (µPAD). The device is fabricated in cellulose paper with a sample reception area and three replicate detection areas with recognition chemistry immobilized by adsorption. The method involves the use of nitrite in an acid medium reaction to generate nitrous acid, which produces the oxidation of s-dihydrotetrazine: 1,2-dihydro-3,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine (DHBPTz), which change the detection zone from colorless to pink. We used a digital camera and smartphone for the quantitative analysis of nitrite with the color coordinate S of the HSV color space as the analytical parameter. Parameters such as concentration and volume of s-dihydrotetrazine, pH, sample volume and reaction time were studied. The detection limit for this method is 1.30µM nitrite. To estimate the selectivity of the method an interference study of common ions in water samples was performed. The procedure was applied to natural water and compared with reference procedures.

  14. Towards "Bildung"-Oriented Chemistry Education

    Science.gov (United States)

    Sjöström, Jesper

    2013-01-01

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

  15. Computational Materials Science and Chemistry: Accelerating Discovery and Innovation through Simulation-Based Engineering and Science

    Energy Technology Data Exchange (ETDEWEB)

    Crabtree, George [Argonne National Lab. (ANL), Argonne, IL (United States); Glotzer, Sharon [University of Michigan; McCurdy, Bill [University of California Davis; Roberto, Jim [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2010-07-26

    This report is based on a SC Workshop on Computational Materials Science and Chemistry for Innovation on July 26-27, 2010, to assess the potential of state-of-the-art computer simulations to accelerate understanding and discovery in materials science and chemistry, with a focus on potential impacts in energy technologies and innovation. The urgent demand for new energy technologies has greatly exceeded the capabilities of today's materials and chemical processes. To convert sunlight to fuel, efficiently store energy, or enable a new generation of energy production and utilization technologies requires the development of new materials and processes of unprecedented functionality and performance. New materials and processes are critical pacing elements for progress in advanced energy systems and virtually all industrial technologies. Over the past two decades, the United States has developed and deployed the world's most powerful collection of tools for the synthesis, processing, characterization, and simulation and modeling of materials and chemical systems at the nanoscale, dimensions of a few atoms to a few hundred atoms across. These tools, which include world-leading x-ray and neutron sources, nanoscale science facilities, and high-performance computers, provide an unprecedented view of the atomic-scale structure and dynamics of materials and the molecular-scale basis of chemical processes. For the first time in history, we are able to synthesize, characterize, and model materials and chemical behavior at the length scale where this behavior is controlled. This ability is transformational for the discovery process and, as a result, confers a significant competitive advantage. Perhaps the most spectacular increase in capability has been demonstrated in high performance computing. Over the past decade, computational power has increased by a factor of a million due to advances in hardware and software. This rate of improvement, which shows no sign of

  16. Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods.

    Science.gov (United States)

    Moitessier, Nicolas; Pottel, Joshua; Therrien, Eric; Englebienne, Pablo; Liu, Zhaomin; Tomberg, Anna; Corbeil, Christopher R

    2016-09-20

    Computational methods for docking small molecules to proteins are prominent in drug discovery. There are hundreds, if not thousands, of documented examples-and several pertinent cases within our research program. Fifteen years ago, our first docking-guided drug design project yielded nanomolar metalloproteinase inhibitors and illustrated the potential of structure-based drug design. Subsequent applications of docking programs to the design of integrin antagonists, BACE-1 inhibitors, and aminoglycosides binding to bacterial RNA demonstrated that available docking programs needed significant improvement. At that time, docking programs primarily considered flexible ligands and rigid proteins. We demonstrated that accounting for protein flexibility, employing displaceable water molecules, and using ligand-based pharmacophores improved the docking accuracy of existing methods-enabling the design of bioactive molecules. The success prompted the development of our own program, Fitted, implementing all of these aspects. The primary motivation has always been to respond to the needs of drug design studies; the majority of the concepts behind the evolution of Fitted are rooted in medicinal chemistry projects and collaborations. Several examples follow: (1) Searching for HDAC inhibitors led us to develop methods considering drug-zinc coordination and its effect on the pKa of surrounding residues. (2) Targeting covalent prolyl oligopeptidase (POP) inhibitors prompted an update to Fitted to identify reactive groups and form bonds with a given residue (e.g., a catalytic residue) when the geometry allows it. Fitted-the first fully automated covalent docking program-was successfully applied to the discovery of four new classes of covalent POP inhibitors. As a result, efficient stereoselective syntheses of a few screening hits were prioritized rather than synthesizing large chemical libraries-yielding nanomolar inhibitors. (3) In order to study the metabolism of POP inhibitors by

  17. Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods.

    Science.gov (United States)

    Moitessier, Nicolas; Pottel, Joshua; Therrien, Eric; Englebienne, Pablo; Liu, Zhaomin; Tomberg, Anna; Corbeil, Christopher R

    2016-09-20

    Computational methods for docking small molecules to proteins are prominent in drug discovery. There are hundreds, if not thousands, of documented examples-and several pertinent cases within our research program. Fifteen years ago, our first docking-guided drug design project yielded nanomolar metalloproteinase inhibitors and illustrated the potential of structure-based drug design. Subsequent applications of docking programs to the design of integrin antagonists, BACE-1 inhibitors, and aminoglycosides binding to bacterial RNA demonstrated that available docking programs needed significant improvement. At that time, docking programs primarily considered flexible ligands and rigid proteins. We demonstrated that accounting for protein flexibility, employing displaceable water molecules, and using ligand-based pharmacophores improved the docking accuracy of existing methods-enabling the design of bioactive molecules. The success prompted the development of our own program, Fitted, implementing all of these aspects. The primary motivation has always been to respond to the needs of drug design studies; the majority of the concepts behind the evolution of Fitted are rooted in medicinal chemistry projects and collaborations. Several examples follow: (1) Searching for HDAC inhibitors led us to develop methods considering drug-zinc coordination and its effect on the pKa of surrounding residues. (2) Targeting covalent prolyl oligopeptidase (POP) inhibitors prompted an update to Fitted to identify reactive groups and form bonds with a given residue (e.g., a catalytic residue) when the geometry allows it. Fitted-the first fully automated covalent docking program-was successfully applied to the discovery of four new classes of covalent POP inhibitors. As a result, efficient stereoselective syntheses of a few screening hits were prioritized rather than synthesizing large chemical libraries-yielding nanomolar inhibitors. (3) In order to study the metabolism of POP inhibitors by

  18. Implementation of a Research-Based Lab Module in a High School Chemistry Curriculum: A Study of Classroom Dynamics

    Science.gov (United States)

    Pilarz, Matthew

    2013-01-01

    For this study, a research-based lab module was implemented in two high school chemistry classes for the purpose of examining classroom dynamics throughout the process of students completing the module. A research-based lab module developed for use in undergraduate laboratories by the Center for Authentic Science Practice in Education (CASPiE) was…

  19. On the Prevalence of Alternative Conceptions on Acid-Base Chemistry among Secondary Students: Insights from Cognitive and Confidence Measures

    Science.gov (United States)

    Hoe, Kai Yee; Subramaniam, R.

    2016-01-01

    This study presents an analysis of alternative conceptions (ACs) on acid--base chemistry harbored by grade 9 students in Singapore. The ACs were obtained by the development and validation of a 4-tier diagnostic instrument. It is among the very few studies in the science education literature that have focused on examining results based also on…

  20. Graphical representations of the chemistry of garnets in a three-dimensional MATLAB based provenance plot

    Science.gov (United States)

    Knierzinger, Wolfgang; Palzer, Markus; Wagreich, Michael; Meszar, Maria; Gier, Susanne

    2016-04-01

    A newly developed, MATLAB based garnet provenance plot allows a three-dimensional tetrahedral representation of the chemistry of garnets for the endmembers almandine, pyrope, spessartine and grossular. Based on a freely accessible database of Suggate & Hall (2013) and additional EPMA-data on the internet, the chemistry of more than 2500 garnets was evaluated and used to create various subfields that correspond to different facies conditions of metapelitic, metasomatic and metaigneous rocks as well as granitic rocks. These triangulated subfields act as reference structures within the tetrahedron, facilitating assignments of garnet chemistries to different lithologies. In comparison with conventional tenary garnet discrimination diagrams by Mange & Morton (2007), Wright/Preston et al. (1938/2002) and Aubrecht et al. (2009), this tetrahedral provenance plot enables a better assessment of the conditions of formation of garnets by reducing the overlapping of certain subfields. In particular, a clearer distinction between greenschist facies rocks, amphibolite facies rocks and granitic rocks can be achieved. First applications of the tetrahedral garnet plot provided new insights on sedimentary processes during the Lower Miocene in the pre-Alpine Molasse basin. Bibliography Aubrecht, R., Meres, S., Sykora, M., Mikus, T. (2009). Provenance of the detrital garnets and spinels from the Albian sediments of the Czorsztyn Unit (Pieniny Klippen Belt , Western Carpathians, Slovakia). In: Geologica Carpathica, Dec. 2009, 60, 6, pp. 463-483. Mange, M.A., Morton, A.C. (2007). Geochemistry of Heavy Minerals. In: Mange, M.A. & Wright, D.T.(2007).Heavy Minerals in Use, Amsterdam, pp. 345-391. Preston, J., Hartley, A., Mange-Rajetzky, M., Hole, M., May, G., Buck, S., Vaughan, L. (2002). The provenance of Triassic continental sandstones from the Beryl Field, northern North Sea: Mineralogical, geochemical and sedimentological constraints. In: Journal of Sedimentary Research, 72, pp. 18

  1. Silver/polysaccharide-based nanofibrous materials synthesized from green chemistry approach.

    Science.gov (United States)

    Martínez-Rodríguez, M A; Garza-Navarro, M A; Moreno-Cortez, I E; Lucio-Porto, R; González-González, V A

    2016-01-20

    In this contribution a novel green chemistry approach for the synthesis of nanofibrous materials based on blends of carboxymethyl-cellulose (CMC)-silver nanoparticles (AgNPs) composite and polyvinyl-alcohol (PVA) is proposed. These nanofibrous materials were obtained from the electrospinning of blends of aqueous solutions of CMC-AgNPs composite and PVA, which were prepared at different CMC/PVA weight ratios in order to electrospin nanofibers applying a constant tension of 15kV. The synthesized materials were characterized by means of transmission electron microscopy, scanning electron microscopy; as well as Fourier-transform infrared, ultraviolet and Raman spectroscopic techniques. Experimental evidence suggests that the diameter of the nanofibers is thinner than any other reported in the literature regarding the electrospinning of CMC. This feature is related to the interactions of AgNPs with carboxyl functional groups of the CMC, which diminish those between the later and acetyl groups of PVA.

  2. Inquiry-based course in physics and chemistry for preservice K-8 teachers

    Directory of Open Access Journals (Sweden)

    Michael E. Loverude

    2011-05-01

    Full Text Available We describe an inquiry-based course in physics and chemistry for preservice K-8 teachers developed at California State University Fullerton. The course is one of three developed primarily to enhance the science content understanding of prospective teachers. The course incorporates a number of innovative instructional strategies and is somewhat unusual for its interdisciplinary focus. We describe the course structure in detail, providing examples of course materials and assessment strategies. Finally, we provide research data illustrating both the need for the course and the effectiveness of the course in developing student understanding of selected topics. Student responses to various questions reflect a lack of understanding of many relatively simple physical science concepts, and a level of performance that is usually lower than that in comparable courses serving a general education audience. Additional data suggest that course activities improve student understanding of selected topics, often dramatically.

  3. Silver/polysaccharide-based nanofibrous materials synthesized from green chemistry approach.

    Science.gov (United States)

    Martínez-Rodríguez, M A; Garza-Navarro, M A; Moreno-Cortez, I E; Lucio-Porto, R; González-González, V A

    2016-01-20

    In this contribution a novel green chemistry approach for the synthesis of nanofibrous materials based on blends of carboxymethyl-cellulose (CMC)-silver nanoparticles (AgNPs) composite and polyvinyl-alcohol (PVA) is proposed. These nanofibrous materials were obtained from the electrospinning of blends of aqueous solutions of CMC-AgNPs composite and PVA, which were prepared at different CMC/PVA weight ratios in order to electrospin nanofibers applying a constant tension of 15kV. The synthesized materials were characterized by means of transmission electron microscopy, scanning electron microscopy; as well as Fourier-transform infrared, ultraviolet and Raman spectroscopic techniques. Experimental evidence suggests that the diameter of the nanofibers is thinner than any other reported in the literature regarding the electrospinning of CMC. This feature is related to the interactions of AgNPs with carboxyl functional groups of the CMC, which diminish those between the later and acetyl groups of PVA. PMID:26572327

  4. Teaching Effectiveness of Integrating Task-based Approach into Inorganic and Analytical Chemistry Course

    Institute of Scientific and Technical Information of China (English)

    Tianjiao; WEI; Yiru; WANG; Sen; HUANG

    2013-01-01

    From the perspective of students,the effectiveness of task-based approach in In-organic and Analytical Chemistry course were summarized.The strength and weak points of TBA were analyzed,and the specific suggestions for obtaining better effect were put forward.The result showed a satisfactory achievement and unexpected result in showing the effectiveness of this teaching model.Not only could this TBA enhance student’s overall knowledge of discipline but also cultivate students’ multi-dimensional competence:competence in searching literatures, communication and management,autonomous,co-operative and reflective learning,and competence in analyzing and problem-solving,as well as improving their language expression ability,and skills in using multi-media and internet technology into their academic course learning and research.The implication of this research on the classroom teaching practice will shed light on the future teaching reform of other courses in China.

  5. The Effect of Multimedia Based Learning in Chemistry Teaching and Learning on Students’ Self-Regulated Learning

    Directory of Open Access Journals (Sweden)

    Erfan Priyambodo

    2014-11-01

    Full Text Available In recent years, the uses of Multimedia Based Learning (MBL in classroom instruction increased widely. Overall, this implementation aims to improve students’ motivation and also their learning outcomes. This study was answering the effect of MBL toward students’ Self-Regulated Learning (SRL in chemistry teaching and learning. The experiment was conducted in class XI of senior high school in Yogyakarta. Researchers create some computer based media for chemistry materials and continued with expert judgement of the media. Students’ data SRL were measured using validated questionnaire. The questionnaire consists of three components, i.e. metacognitive, motivation and behavior. The results showed that there was significant differences in SRL of students before and after participating in chemistry teaching and learning which applying MBL.

  6. Guided-inquiry based laboratory instruction: Investigation of critical thinking skills, problem solving skills, and implementing student roles in chemistry

    Science.gov (United States)

    Gupta, Tanya

    Recent initiatives in the laboratory curriculum have encouraged an inquiry-based approach to learning and teaching in the laboratory. It has been argued that laboratory instruction should not just be hands-on, but it should portray the essence of inquiry through the process of experiential learning and reflective engagement in collaboration with peers and in facilitation by the instructor. A student-centered active learning approach may be an effective way to enhance student understanding of concepts in the laboratory. The dissertation research work explores the impact of laboratory instruction and its relevance for college-level chemistry. Each chapter is different from the preceding chapter in terms of the purpose of the study and the research questions asked. However, the overarching idea is to address the importance of guided-inquiry based laboratory instruction in chemistry and its relevance in helping students to make connections with the chemistry content and in imparting skills to students. Such skills include problem solving, collaborative group work and critical thinking. The first research study (Chapter 2) concerns the impact of first year co-requisite general chemistry laboratory instruction on the problem-solving skills of students. The second research study (Chapter 3) examines the impact of implementing student roles also known as Student-Led Instructor Facilitated Guided-Inquiry based Laboratories, SLIFGIL) by modifying the Science Writing Heuristic approach of laboratory instruction. In the third research study (Chapter 4), critical thinking skills of first semester general chemistry laboratory students were compared to advanced (third or fourth year) chemistry laboratory students based on the analysis of their laboratory reports.

  7. Ternary DNA chip based on a novel thymine spacer group chemistry.

    Science.gov (United States)

    Yang, Yanli; Yildiz, Umit Hakan; Peh, Jaime; Liedberg, Bo

    2015-01-01

    A novel thymine-based surface chemistry suitable for label-free electrochemical DNA detection is described. It involves a simple two-step sequential process: immobilization of 9-mer thymine-terminated probe DNAs followed by backfilling with 9-mer thymine-based spacers (T9). As compared to commonly used organic spacer groups like 2-mercaptoethanol, 3-mercapto-1-propanol and 6-mercapto-1-hexanol, the 9-mer thymine-based spacers offer a 10-fold improvement in discriminating between complementary and non-complementary target hybridization, which is due mainly to facilitated transport of the redox probes through the probe-DNA/T9 layers. Electrochemical measurements, complemented with Surface Plasmon Resonance (SPR) and Quartz Crystal Microbalance (QCM-D) binding analyses, reveal that optimum selectivity between complementary and non-complementary hybridization is obtained for a sensing surface prepared using probe-DNA and backfiller T9 at equimolar concentration (1:1). At this particular ratio, the probe-DNAs are preferentially oriented and easily accessible to yield a sensing surface with favorable hybridization and electron transfer characteristics. Our findings suggest that oligonucleotide-based spacer groups offer an attractive alternative to short organic thiol spacers in the design of future DNA biochips. PMID:25465760

  8. Experience and the arts: An examination of an arts-based chemistry class

    Science.gov (United States)

    Wunsch, Patricia Ann

    Many high school students are either intimidated or unmotivated when faced with science courses taught with a traditional teaching methodology. The focus of this study was the integration of the arts, specifically the Creative Arts Laboratory (CAL) approach, into the teaching methodology and assessment of a high school chemistry class, with particular interest in what occurs from the point of view of the students and the teacher throughout the integration. Using a case study design, research questions were developed that looked at the effects of arts-integration on the students and teacher in a high school chemistry class; what strategies of arts integration were viewed positively and negatively by the students and teacher; and what role the arts may play in the formation of a new approach to the high school science curriculum. The levels of student engagement and participation were changed and thusly viewed positively by both students and teacher. Specifically, group work that allowed students to choose various arts elements to depict chemistry concepts was considered most favorably. The role of the teacher shifted from a teacher-centered design to a more student-centered environment. Classroom activities that garnered the most student engagement included peer-to-peer review through the critique process and the reinforcement of vocabulary definitions through movement activities. Negative student reviews of the integration were noted when time constraints prevented them from completing their projects to their own standards of satisfaction. However, within this study, the arts allowed many students of varying learning abilities to potentially grasp and understand scientific concepts in new and individual ways, which reinforces an inquiry-based scientific method. Further research is necessary to determine how to prepare teachers to use varying teaching methodologies including the CAL method. Moreover, high school science curricula need to be reviewed to potentially

  9. Students’ experienced coherence between chemistry and biology in context-based secondary science education

    NARCIS (Netherlands)

    Boer, H.J.; Prins, Gjalt; Goedhart, M.J.; Boersma, Kerst

    2014-01-01

    In current biology and chemistry secondary school practice, coherence between the subjects chemistry and biology is underexposed or even ignored. This is incongruent with the current scientific practice, in which the emphasis is shifting towards inter- and multidisciplinarity. These problems have be

  10. Integration of Video-Based Demonstrations to Prepare Students for the Organic Chemistry Laboratory

    Science.gov (United States)

    Nadelson, Louis S.; Scaggs, Jonathan; Sheffield, Colin; McDougal, Owen M.

    2015-01-01

    Consistent, high-quality introductions to organic chemistry laboratory techniques effectively and efficiently support student learning in the organic chemistry laboratory. In this work, we developed and deployed a series of instructional videos to communicate core laboratory techniques and concepts. Using a quasi-experimental design, we tested the…

  11. Web-Based Job Submission Interface for the GAMESS Computational Chemistry Program

    Science.gov (United States)

    Perri, M. J.; Weber, S. H.

    2014-01-01

    A Web site is described that facilitates use of the free computational chemistry software: General Atomic and Molecular Electronic Structure System (GAMESS). Its goal is to provide an opportunity for undergraduate students to perform computational chemistry experiments without the need to purchase expensive software.

  12. Changing the First-Year Chemistry Laboratory Manual to Implement a Problem-Based Approach that Improves Student Engagement

    Science.gov (United States)

    Laredo, Thamara

    2013-01-01

    For students who are not science majors, problem-based (PB) laboratories for first-year chemistry provide a more comprehensive experience than conventional expository ones. Implementing PB labs is reasonably easy, as the lab experiments may not need to change; what changes is the way the lab manual is set up and how the actual session is carried…

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

    Science.gov (United States)

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

    2014-01-01

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

  14. Bringing Research into a First Semester Organic Chemistry Laboratory with the Multistep Synthesis of Carbohydrate-Based HIV Inhibitor Mimics

    Science.gov (United States)

    Pontrello, Jason K.

    2015-01-01

    Benefits of incorporating research experiences into laboratory courses have been well documented, yet examples of research projects designed for the first semester introductory organic chemistry lab course are extremely rare. To address this deficiency, a Carbohydrate-Based human immunodeficiency virus (HIV) Inhibitor project consisting of a…

  15. Students' Perceptions of Teaching in Context-Based and Traditional Chemistry Classrooms: Comparing Content, Learning Activities, and Interpersonal Perspectives

    Science.gov (United States)

    Overman, Michelle; Vermunt, Jan D.; Meijer, Paulien C.; Bulte, Astrid M. W.; Brekelmans, Mieke

    2014-01-01

    Context-based curriculum reforms in chemistry education are thought to bring greater diversity to the ways in which chemistry teachers organize their teaching. First and foremost, students are expected to perceive this diversity. However, empirical research on how students perceive their teacher's teaching in context-based chemistry…

  16. Surface functionalization of two-dimensional metal chalcogenides by Lewis acid-base chemistry

    Science.gov (United States)

    Lei, Sidong; Wang, Xifan; Li, Bo; Kang, Jiahao; He, Yongmin; George, Antony; Ge, Liehui; Gong, Yongji; Dong, Pei; Jin, Zehua; Brunetto, Gustavo; Chen, Weibing; Lin, Zuan-Tao; Baines, Robert; Galvão, Douglas S.; Lou, Jun; Barrera, Enrique; Banerjee, Kaustav; Vajtai, Robert; Ajayan, Pulickel

    2016-05-01

    Precise control of the electronic surface states of two-dimensional (2D) materials could improve their versatility and widen their applicability in electronics and sensing. To this end, chemical surface functionalization has been used to adjust the electronic properties of 2D materials. So far, however, chemical functionalization has relied on lattice defects and physisorption methods that inevitably modify the topological characteristics of the atomic layers. Here we make use of the lone pair electrons found in most of 2D metal chalcogenides and report a functionalization method via a Lewis acid-base reaction that does not alter the host structure. Atomic layers of n-type InSe react with Ti4+ to form planar p-type [Ti4+n(InSe)] coordination complexes. Using this strategy, we fabricate planar p-n junctions on 2D InSe with improved rectification and photovoltaic properties, without requiring heterostructure growth procedures or device fabrication processes. We also show that this functionalization approach works with other Lewis acids (such as B3+, Al3+ and Sn4+) and can be applied to other 2D materials (for example MoS2, MoSe2). Finally, we show that it is possible to use Lewis acid-base chemistry as a bridge to connect molecules to 2D atomic layers and fabricate a proof-of-principle dye-sensitized photosensing device.

  17. Surface functionalization of two-dimensional metal chalcogenides by Lewis acid-base chemistry.

    Science.gov (United States)

    Lei, Sidong; Wang, Xifan; Li, Bo; Kang, Jiahao; He, Yongmin; George, Antony; Ge, Liehui; Gong, Yongji; Dong, Pei; Jin, Zehua; Brunetto, Gustavo; Chen, Weibing; Lin, Zuan-Tao; Baines, Robert; Galvão, Douglas S; Lou, Jun; Barrera, Enrique; Banerjee, Kaustav; Vajtai, Robert; Ajayan, Pulickel

    2016-05-01

    Precise control of the electronic surface states of two-dimensional (2D) materials could improve their versatility and widen their applicability in electronics and sensing. To this end, chemical surface functionalization has been used to adjust the electronic properties of 2D materials. So far, however, chemical functionalization has relied on lattice defects and physisorption methods that inevitably modify the topological characteristics of the atomic layers. Here we make use of the lone pair electrons found in most of 2D metal chalcogenides and report a functionalization method via a Lewis acid-base reaction that does not alter the host structure. Atomic layers of n-type InSe react with Ti(4+) to form planar p-type [Ti(4+)n(InSe)] coordination complexes. Using this strategy, we fabricate planar p-n junctions on 2D InSe with improved rectification and photovoltaic properties, without requiring heterostructure growth procedures or device fabrication processes. We also show that this functionalization approach works with other Lewis acids (such as B(3+), Al(3+) and Sn(4+)) and can be applied to other 2D materials (for example MoS2, MoSe2). Finally, we show that it is possible to use Lewis acid-base chemistry as a bridge to connect molecules to 2D atomic layers and fabricate a proof-of-principle dye-sensitized photosensing device. PMID:26828848

  18. Recent developments in computer vision-based analytical chemistry: A tutorial review.

    Science.gov (United States)

    Capitán-Vallvey, Luis Fermín; López-Ruiz, Nuria; Martínez-Olmos, Antonio; Erenas, Miguel M; Palma, Alberto J

    2015-10-29

    Chemical analysis based on colour changes recorded with imaging devices is gaining increasing interest. This is due to its several significant advantages, such as simplicity of use, and the fact that it is easily combinable with portable and widely distributed imaging devices, resulting in friendly analytical procedures in many areas that demand out-of-lab applications for in situ and real-time monitoring. This tutorial review covers computer vision-based analytical (CVAC) procedures and systems from 2005 to 2015, a period of time when 87.5% of the papers on this topic were published. The background regarding colour spaces and recent analytical system architectures of interest in analytical chemistry is presented in the form of a tutorial. Moreover, issues regarding images, such as the influence of illuminants, and the most relevant techniques for processing and analysing digital images are addressed. Some of the most relevant applications are then detailed, highlighting their main characteristics. Finally, our opinion about future perspectives is discussed.

  19. Platinum-based heterogeneous nanomaterials via wet-chemistry approaches toward electrocatalytic applications.

    Science.gov (United States)

    Qu, Jianglan; Ye, Feng; Chen, Dong; Feng, Yan; Yao, Qiaofeng; Liu, Hui; Xie, Jianping; Yang, Jun

    2016-04-01

    The heterogeneously structured nanomaterials usually exhibit enhanced catalytic properties in comparison with each one of the constituent materials due to the synergistic effect among their different domains. Within the last decade, the development of wet-chemistry methods leads to the blossom of research in materials with heterogeneous nanostructures, which creates great opportunities also a tremendous challenge to apply these materials for highly efficient energy conversion. We herein would systematically introduce the latest research developments in Pt-based nanomaterials with heterogeneous structures, e.g. core-shell, hollow interiors, stellated/dendritic morphologies, dimeric, or composite construction, and their potential applications as electrocatalysts toward direct methanol fuel cell reactions, including methanol oxidation reaction and oxygen reduction reaction in acidic conditions, aiming at the summarization of the fundamentals and technical approaches in synthesis, fabrication and processing of heterogeneous nanomaterials so as to provide the readers a systematic and coherent picture of the filed. This review will focus on the intrinsic relationship between the catalytic properties and the physical or/and chemical effects in the heterogeneous nanomaterials, providing for technical bases for effectively developing novel electrocatalyts with low cost, enhanced activity and high selectivity. PMID:26821984

  20. Vygotskian-based grouping: Utilizing the zone of proximal development in a chemistry laboratory

    Science.gov (United States)

    Briggle, Justin David

    A large portion of any science major's curriculum utilizes laboratories. Many of these laboratories now incorporate cooperative learning as a result of studies attesting to its beneficial effects. However, little attention has been given to the composition of those groups, specifically at post-secondary education institutes. We have therefore investigated the effectiveness of a grouping technique based on the theories of L. S. Vygotsky and his construct of the zone of proximal development (ZPD) in the context of an undergraduate general chemistry laboratory course at The University of Texas at Austin. All students were responsible for the completion of a short, 11 question, pre-quiz. Depending on their respective classes, students were grouped either according to the ZPD-scheme, based on pre-quiz scores, or randomly, regardless of pre-quiz score. Achievement of the students in each of the two groups was compared in order to determine grouping effectiveness. This study was carried out for 3 semesters (spring 2003, spring 2004, and fall 2004) under two different instructors. Overall, results indicate that grouping according to the ZPD-scheme revealed higher student achievement versus random grouping. Moreover, students scoring low and average on pre-quizzes benefited far more from this grouping method than higher scoring students. The protocol for implementing this grouping scheme is straightforward and is discussed in detail.

  1. Bad chemistry

    OpenAIRE

    Petsko, Gregory A

    2004-01-01

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

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

    Science.gov (United States)

    Plante, Ianik; Wu, Honglu

    2014-01-01

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

  3. Chemistry Based on Renewable Raw Materials: Perspectives for a Sugar Cane-Based Biorefinery

    OpenAIRE

    Murillo Villela Filho; Carlos Araujo; Alfredo Bonfá; Weber Porto

    2011-01-01

    Carbohydrates are nowadays a very competitive feedstock for the chemical industry because their availability is compatible with world-scale chemical production and their price, based on the carbon content, is comparable to that of petrochemicals. At the same time, demand is rising for biobased products. Brazilian sugar cane is a competitive feedstock source that is opening the door to a wide range of bio-based products. This essay begins with the importance of the feedstock for the chemical i...

  4. A green chemistry-based classification model for the synthesis of silver nanoparticles

    Science.gov (United States)

    The assessment of implementation of green chemistry principles in the synthesis of nanomaterials is a complex decision-making problem that necessitates integration of several evaluation criteria. Multiple Criteria Decision Aiding (MCDA) provides support for such a challenge. One ...

  5. Polydopamine film coated controlled-release multielement compound fertilizer based on mussel-inspired chemistry.

    Science.gov (United States)

    Jia, Xin; Ma, Zhi-yuan; Zhang, Guo-xiang; Hu, Jia-mei; Liu, Zhi-yong; Wang, He-yun; Zhou, Feng

    2013-03-27

    This work reports on a facile and reliable method to prepare a polydopamine film coated controlled-release multielement compound fertilizer (PCMCF) based on mussel-inspired chemistry for the first time. The polydopamine (Pdop) film was coated on double copper potassium pyrophosphate trihydrate, providing three essential nutrients (Cu, K, and P) by spontaneous oxidative polymerization of dopamine. The thickness of the polymer coating of the fertilizer was controlled by using the multistep deposition technique. The morphology and composition of the products were characterized by transmission electron microscopy, inductively coupled plasma emission spectrometer, a vis spectrophotometer, and a Kjeltec autoanalyzer. The controlled-release behavior of four elements, including nitrogen from Pdop, was evaluated in water and in soil (sterilized or not). The results revealed that the coated fertilizers had good slow-release properties, incubated in either water or soil. It is noted that the release rate of nutrients of PCMCF can be tailored by the thickness of the Pdop coating, and the Pdop coating can be biodegraded in soil. This coating technology will be effective and promising in the research and development of controlled-release fertilizer. PMID:23464683

  6. Fabrication of amperometric xanthine biosensors based on direct chemistry of xanthine oxidase

    Energy Technology Data Exchange (ETDEWEB)

    Gao Yansheng; Shen Chunping [Department of Chemistry, Soochow University, Suzhou, Jiangsu 215123 (China); Di Junwei, E-mail: djw@suda.edu.cn [Department of Chemistry, Soochow University, Suzhou, Jiangsu 215123 (China); Tu Yifeng [Department of Chemistry, Soochow University, Suzhou, Jiangsu 215123 (China)

    2009-08-31

    The construction of amperometric xanthine biosensor by immobilization of xanthine oxidase (XOD) on the multi-wall carbon nanotubes (CNTs) modified glassy carbon (GC) electrode surface was investigated. The direct chemistry of XOD was accomplished and the formal potential was about - 0.465 V (vs SCE). The heterogeneous electron transfer rate constant was evaluated to be 2.0 {+-} 0.3 s{sup -1}. The xanthine biosensor based on XOD entrapped in silica sol-gel (SG) thin film on CNTs-modified GC electrode surface was also investigated. The XOD still maintains its activity to xanthine. The amperometric response to xanthine showed a linear relation in the range from 0.2 {mu}M to 10 {mu}M and a detection limit of 0.1 {mu}M (S/N = 3). The enzyme electrode retained 95% of its initial activity after 90 days of storage. The sensor exhibited high sensitivity, rapid response and good long-term stability.

  7. Surface chemistry of polyacrylonitrile- and rayon-based activated carbon fibers after post-heat treatment

    Energy Technology Data Exchange (ETDEWEB)

    Chiang Yuchun [Department of Mechanical Engineering, Yuan Ze University, 135 Yuan-Tung Road, Chung-Li, Taoyuan 320, Taiwan (China)]. E-mail: ycchiang@saturn.yzu.edu.tw; Lee, C.-Y. [Department of Mechanical Engineering, Yuan Ze University, 135 Yuan-Tung Road, Chung-Li, Taoyuan 320, Taiwan (China); Lee, H.-C. [Department of Mechanical Engineering, Yuan Ze University, 135 Yuan-Tung Road, Chung-Li, Taoyuan 320, Taiwan (China)

    2007-01-15

    Polyacrylonitrile- and rayon-based activated carbon fibers (ACFs) subject to heat treatment were investigated by means of elemental analyzer, and X-ray photoelectron spectroscopy (XPS). The total ash content of all ACFs was also analyzed. The adsorption of benzene, carbon tetrachloride and water vapor on ACFs was determined to shed light on the role of surface chemistry on gas adsorption. Results show that different precursors resulted in various elemental compositions and imposed diverse influence upon surface functionalities after heat treatment. The surface of heat-treated ACFs became more graphitic and hydrophobic. Three distinct peaks due to C, N, and O atoms were identified by XPS, and the high-resolution revealed the existence of several surface functionalities. The presence of nitride-like species, aromatic N-imines, or chemisorbed nitrogen oxides was found to be of great advantage to adsorption of water vapor or benzene, but the pyridine-N was not. Unstable complexes on the surface would hinder the fibers from adsorption of carbon tetrachloride. The rise in total ash content or hydrogen composition was of benefit to the access of water vapor. Modifications of ACFs by heat treatment have effectively improved adsorption performance.

  8. Are fragment-based quantum chemistry methods applicable to medium-sized water clusters?

    Science.gov (United States)

    Yuan, Dandan; Shen, Xiaoling; Li, Wei; Li, Shuhua

    2016-06-28

    Fragment-based quantum chemistry methods are either based on the many-body expansion or the inclusion-exclusion principle. To compare the applicability of these two categories of methods, we have systematically evaluated the performance of the generalized energy based fragmentation (GEBF) method (J. Phys. Chem. A, 2007, 111, 2193) and the electrostatically embedded many-body (EE-MB) method (J. Chem. Theory Comput., 2007, 3, 46) for medium-sized water clusters (H2O)n (n = 10, 20, 30). Our calculations demonstrate that the GEBF method provides uniformly accurate ground-state energies for 10 low-energy isomers of three water clusters under study at a series of theory levels, while the EE-MB method (with one water molecule as a fragment and without using the cutoff distance) shows a poor convergence for (H2O)20 and (H2O)30 when the basis set contains diffuse functions. Our analysis shows that the neglect of the basis set superposition error for each subsystem has little effect on the accuracy of the GEBF method, but leads to much less accurate results for the EE-MB method. The accuracy of the EE-MB method can be dramatically improved by using an appropriate cutoff distance and using two water molecules as a fragment. For (H2O)30, the average deviation of the EE-MB method truncated up to the three-body level calculated using this strategy (relative to the conventional energies) is about 0.003 hartree at the M06-2X/6-311++G** level, while the deviation of the GEBF method with a similar computational cost is less than 0.001 hartree. The GEBF method is demonstrated to be applicable for electronic structure calculations of water clusters at any basis set. PMID:27263629

  9. Hybrid magnetic materials based on layered double hydroxides: from the chemistry towards the applications

    OpenAIRE

    Abellán Sáez, Gonzalo

    2014-01-01

    Layered double hydroxides (LDHs) are the leitmotiv of this dissertation. Contradicting the assertion that “any past was better”, LDHs have been continuously revisited from the middle of the twentieth century, and represent an excellent example of the never-ending beauty of Chemistry. New synthetic perspectives are giving a new impetus to LDH chemistry, which among hybrid materials, are finding their heyday. This is resulting in novel materials and also paving the way for new fundamental and p...

  10. Development and Implementation of Inquiry-Based and Computerized-Based Laboratories: Reforming High School Chemistry in Israel

    Science.gov (United States)

    Barnea, Nitza; Dori, Yehudit Judy; Hofstein, Avi

    2010-01-01

    Reforms in science education in general and in chemistry education in particular have been introduced in many countries since the beginning of the 21st Century. Similarly, at this time in Israel both the content and pedagogy of the chemistry curriculum in high schools were reformed. New content and pedagogical standards emerged, fostering…

  11. A self-study of designing and implementing an inquiry-based chemistry course for elementary education majors

    Science.gov (United States)

    Larson, Teresa

    2011-12-01

    This self-study examines my experiences with implementing an inquiry-based version of a chemistry course (Chemistry 299) designed for elementary education majors. The inquiry-based curriculum design and teaching strategies that I implement in Chemistry 299 is the focus of this study. Since my previous education and professional experiences were in the physical sciences, I position myself in this study as a scientist who engages in self-study as a form of professional development for the purpose of developing an inquiry-based curriculum and instructional practices. My research provides an inside perspective of the curriculum development process. This process involves implementing the inquiry-oriented ideas and knowledge I acquired in my graduate studies to design the curriculum and influence my teaching practice. My analysis of the curriculum and my instruction is guided by two questions: What are the strengths and weaknesses of the inquiry-based Chemistry 299 curriculum design? What does the process of developing my inquiry-based teaching practice entail and what makes is challenging? Schwab's (1973) The Practical 3: Translation into Curriculum serves as the theoretical framework for this study because of the emphasis Schwab places on combining theoretical and practical knowledge in the curriculum development process and because of the way he characterizes the curriculum. The findings in this study are separated into curriculum and instruction domains. First, the Chemistry 299 curriculum was designed to make the epistemological practices of scientists "accessible" to students by emphasizing epistemic development with respect to their ideas about scientific inquiry and science learning. Using student learning as a gauge for progress, I identify specific design elements that developed transferable inquiry skills as a means to support scientific literacy and pre-service teacher education. Second, the instruction-related findings built upon the insight I gained through

  12. Surface chemistry of InP ridge structures etched in Cl{sub 2}-based plasma analyzed with angular XPS

    Energy Technology Data Exchange (ETDEWEB)

    Bouchoule, Sophie, E-mail: sophie.bouchoule@lpn.cnrs.fr; Cambril, Edmond; Guilet, Stephane [Laboratoire de Photonique et Nanostructure (LPN)—UPR20, CNRS, Route de Nozay, 91460 Marcoussis (France); Chanson, Romain; Pageau, Arnaud; Rhallabi, Ahmed; Cardinaud, Christophe, E-mail: christophe.cardinaud@cnrs-imn.fr [Institut des matériaux Jean Rouxel (IMN), UMR6502, Université de Nantes, CNRS, 44322 Nantes (France)

    2015-09-15

    Two x-ray photoelectron spectroscopy configurations are proposed to analyze the surface chemistry of micron-scale InP ridge structures etched in chlorine-based inductively coupled plasma (ICP). Either a classical or a grazing configuration allows to retrieve information about the surface chemistry of the bottom surface and sidewalls of the etched features. The procedure is used to study the stoichiometry of the etched surface as a function of ridge aspect ratio for Cl{sub 2}/Ar and Cl{sub 2}/H{sub 2} plasma chemistries. The results show that the bottom surface and the etched sidewalls are P-rich, and indicate that the P-enrichment mechanism is rather chemically driven. Results also evidence that adding H{sub 2} to Cl{sub 2} does not necessarily leads to a more balanced surface stoichiometry. This is in contrast with recent experimental results obtained with the HBr ICP chemistry for which fairly stoichiometric surfaces have been obtained.

  13. Teaching the Societal Dimension of Chemistry Using a Socio-Critical and Problem-Oriented Lesson Plan Based on Bioethanol Usage

    Science.gov (United States)

    Feierabend, Timo; Eilks, Ingo

    2011-01-01

    This paper discusses a chemistry lesson plan based on the use of ethanol as an alternative and renewable energy source. The lessons were developed by participatory action research and follow a socio-critical and problem-oriented approach to chemistry teaching. This approach specifically focuses on the handling of scientific and technological…

  14. Domain-Specific Expertise of Chemistry Teachers on Context-Based Education about Macro-Micro Thinking in Structure-Property Relations

    Science.gov (United States)

    Dolfing, Ria; Bulte, Astrid M. W.; Pilot, Albert; Vermunt, Jan D.

    2012-01-01

    This study aims to determine and describe the new domain-specific expertise of experienced chemistry teachers in teaching an innovative context-based unit about macro-micro thinking in structure-property relations. The construct of "teachers' domain-specific expertise" was used to analyse the new repertoire chemistry teachers need to acquire to…

  15. Synthesis, growth, and studies (crystal chemistry, magnetic chemistry) of actinide-based intermetallic compounds and alloys with a 1.1.1 stoichiometry

    International Nuclear Information System (INIS)

    The first part of this research thesis reports the study of the synthesis and reactivity of intermetallic compounds with a 1.1.1 stoichiometry. It presents the thermal properties of 1.1.1 compounds: general presentation of physical transitions, and of solid solutions and formation heat, application to actinides (reactivity analysis from phase diagrams, techniques of crystal synthesis and crystal growth. It describes experimental techniques: synthesis, determination of fusion temperature by dilatometry, methods used for crystal growth, characterisation techniques (metallography, X ray diffraction on powders, dilatometry). It discusses the obtained results in terms of characterisation of synthesised samples, of crystal growth, and of measurements of fusion temperature. The second part addresses crystal chemistry studies: structure of compounds with a 1.1.1 stoichiometry (Laves structures, Zr, Ti and Pu compounds), techniques of analysis by X-ray diffraction (on powders and on single crystals), result interpretation (UNiX compounds, AnTAl compounds with T being a metal from group VIII, AnTGa compounds, AnNiGe compounds, distance comparison, structure modifications under pressure). The third part concerns physical issues. The author addresses the following topics: physical properties of intermetallic 1.1.1 compounds (magnetism of yttrium phases, behaviour of uranium-based Laves phases, analysis of pseudo-binary diagrams, physical characteristics of uranium-based 1.1.1 compounds, predictions of physical measurements), analysis techniques (Moessbauer spectroscopy, SQUID for Superconducting Quantum Interference Device), and result interpretation

  16. Mathematical Chemistry

    OpenAIRE

    Trinajstić, Nenad; Gutman, Ivan

    2002-01-01

    A brief description is given of the historical development of mathematics and chemistry. A path leading to the meeting of these two sciences is described. An attempt is made to define mathematical chemistry, and journals containing the term mathematical chemistry in their titles are noted. In conclusion, the statement is made that although chemistry is an experimental science aimed at preparing new compounds and materials, mathematics is very useful in chemistry, among other things, to produc...

  17. What Are They Thinking? Automated Analysis of Student Writing about Acid–Base Chemistry in Introductory Biology

    OpenAIRE

    Haudek, Kevin C; Prevost, Luanna B.; Moscarella, Rosa A.; Merrill, John; Urban-Lurain, Mark

    2012-01-01

    Students’ writing can provide better insight into their thinking than can multiple-choice questions. However, resource constraints often prevent faculty from using writing assessments in large undergraduate science courses. We investigated the use of computer software to analyze student writing and to uncover student ideas about chemistry in an introductory biology course. Students were asked to predict acid–base behavior of biological functional groups and to explain their answers. Student e...

  18. Controlling Nonspecific Protein Adsorption in a Plug-Based Microfluidic System by Controlling Interfacial Chemistry Using Fluorous-Phase Surfactants

    OpenAIRE

    Roach, L. Spencer; Song, Helen; Ismagilov, Rustem F.

    2005-01-01

    Control of surface chemistry and protein adsorption is important for using microfluidic devices for biochemical analysis and high-throughput screening assays. This paper describes the control of protein adsorption at the liquid-liquid interface in a plug-based microfluidic system. The microfluidic system uses multiphase flows of immiscible fluorous and aqueous fluids to form plugs, which are aqueous droplets that are completely surrounded by fluorocarbon oil and do not come into direct contac...

  19. Development of evaluation tool for radiation dose rate distribution in PCV of Hamaoka BWR plants based on water chemistry

    International Nuclear Information System (INIS)

    We have developed an evaluation tool for the radiation dose rate distribution of the work areas in the primary containment vessel (PCV) of Units 3, 4 (BWR5) and 5 (ABWR) at Hamaoka NPS. This tool has been constructed based on the transport behavior of radioactive corrosion products in the primary cooling water of BWR. This tool can be used to evaluate quantitatively the effects of the dose reduction methods by water chemistry control or radiation management. It is composed of two calculation codes; water chemistry code (ACTTUBE) and radiation dose rate code (RADTUBE). ACTTUBE calculates the piping dose rates based on the mass balance of corrosion products, 6 kinds of metal and 5 kinds of radionuclide, among the parts of primary cooling water, such as reactor water, feed water, fuel rod surface and out-of-core piping surface. RADTUBE calculates the dose rate distribution based on the radiation shielding calculation from a calculation result of ACTTUBE. Additionally, this tool has a visualization function of calculated radiation dose rate distribution in the PCV by using a wireless controller and 3D glasses/monitor in order to improve user convenience. The accuracy of the tool's calculation results was evaluated using the water chemistry data and radiation dose rate data of the Hamaoka plants. As a result, it was confirmed that this tool had sufficient accuracy to be used in the evaluation of radiation dose rates for the radiation management of actual plants. (author)

  20. Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.

    Science.gov (United States)

    Azizpoor Fard, M; Rabiee Kenaree, A; Boyle, P D; Ragogna, P J; Gilroy, J B; Corrigan, J F

    2016-02-21

    Ferrocene-based phosphines constitute an important auxiliary ligand in inorganic chemistry. Utilizing the (ferrocenylethyl)phosphines (FcCH2CH2)3-nHnP (Fc = ferrocenyl; n = 2, 1; n = 1, 2; n = 0, 3) the synthesis of a series of coordination complexes [(FcCH2CH2)3-nHnPCuCl]4 (n = 2, 1-CuCl; n = 0, 3-CuCl), [(FcCH2CH2)2HPCuCl] (2-CuCl), {[(FcCH2CH2)H2P]2AgCl}2 (1-AgCl), [(FcCH2CH2)2HPAgCl] (2-AgCl), [(FcCH2CH2)3PAgCl]4 (3-AgCl), [(FcCH2CH2)3PM(OAc)]4 (M = Cu, 3-CuOAc M = Ag, 3-AgOAc), [(FcCH2CH2)3-nHnPAuCl] (n = 1, 2-AuCl; n = 0, 3-AuCl), via the reaction between the free phosphine and MX (M = Cu, Ag and Au; X = Cl, OAc), is described. The reaction between the respective phosphine with a suspension of metal-chloride or -acetate in a 1 : 1 ratio in THF at ambient temperature affords coordinated phosphine-coinage metal complexes. Varying structural motifs are observed in the solid state, as determined via single crystal X-ray analysis of 1-CuCl, 3-CuCl, 1-AgCl, 3-AgCl, 3-CuOAc, 3-AgOAc, 2-AuCl and 3-AuCl. Complexes 1-CuCl and 3-CuCl are tetrameric Cu(i) cubane-like structures with a Cu4Cl4 core, whereas silver complexes with primary and tertiary phosphine reveal two different structural types. The structure of 1-AgCl, unlike the rest, displays the coordination of two phosphines to each silver atom and shows a quadrangle defined by two Ag and two Cl atoms. In contrast, 3-AgCl is distorted from a cubane structure via elongation of one of the ClAg distances. 3-CuOAc and 3-AgOAc are isostructural with step-like cores, while complexes 2-AuCl and 3-AuCl reveal a linear geometry of a phosphine gold(i) chloride devoid of any aurophilic interactions. All of the complexes were characterized in solution by multinuclear (1)H, (13)C{(1)H} and (31)P NMR spectroscopic techniques; the redox chemistry of the series of complexes was examined using cyclic voltammetry. This class of complexes has been found to exhibit one reversible Fe(ii)/Fe(iii) oxidation couple, suggesting the

  1. Coinage metal coordination chemistry of stable primary, secondary and tertiary ferrocenylethyl-based phosphines.

    Science.gov (United States)

    Azizpoor Fard, M; Rabiee Kenaree, A; Boyle, P D; Ragogna, P J; Gilroy, J B; Corrigan, J F

    2016-02-21

    Ferrocene-based phosphines constitute an important auxiliary ligand in inorganic chemistry. Utilizing the (ferrocenylethyl)phosphines (FcCH2CH2)3-nHnP (Fc = ferrocenyl; n = 2, 1; n = 1, 2; n = 0, 3) the synthesis of a series of coordination complexes [(FcCH2CH2)3-nHnPCuCl]4 (n = 2, 1-CuCl; n = 0, 3-CuCl), [(FcCH2CH2)2HPCuCl] (2-CuCl), {[(FcCH2CH2)H2P]2AgCl}2 (1-AgCl), [(FcCH2CH2)2HPAgCl] (2-AgCl), [(FcCH2CH2)3PAgCl]4 (3-AgCl), [(FcCH2CH2)3PM(OAc)]4 (M = Cu, 3-CuOAc M = Ag, 3-AgOAc), [(FcCH2CH2)3-nHnPAuCl] (n = 1, 2-AuCl; n = 0, 3-AuCl), via the reaction between the free phosphine and MX (M = Cu, Ag and Au; X = Cl, OAc), is described. The reaction between the respective phosphine with a suspension of metal-chloride or -acetate in a 1 : 1 ratio in THF at ambient temperature affords coordinated phosphine-coinage metal complexes. Varying structural motifs are observed in the solid state, as determined via single crystal X-ray analysis of 1-CuCl, 3-CuCl, 1-AgCl, 3-AgCl, 3-CuOAc, 3-AgOAc, 2-AuCl and 3-AuCl. Complexes 1-CuCl and 3-CuCl are tetrameric Cu(i) cubane-like structures with a Cu4Cl4 core, whereas silver complexes with primary and tertiary phosphine reveal two different structural types. The structure of 1-AgCl, unlike the rest, displays the coordination of two phosphines to each silver atom and shows a quadrangle defined by two Ag and two Cl atoms. In contrast, 3-AgCl is distorted from a cubane structure via elongation of one of the ClAg distances. 3-CuOAc and 3-AgOAc are isostructural with step-like cores, while complexes 2-AuCl and 3-AuCl reveal a linear geometry of a phosphine gold(i) chloride devoid of any aurophilic interactions. All of the complexes were characterized in solution by multinuclear (1)H, (13)C{(1)H} and (31)P NMR spectroscopic techniques; the redox chemistry of the series of complexes was examined using cyclic voltammetry. This class of complexes has been found to exhibit one reversible Fe(ii)/Fe(iii) oxidation couple, suggesting the

  2. Ground-based imaging spectrometry of canopy phenology and chemistry in a deciduous forest

    Science.gov (United States)

    Toomey, M. P.; Friedl, M. A.; Frolking, S. E.; Hilker, T.; O'Keefe, J.; Richardson, A. D.

    2013-12-01

    Phenology, annual life cycles of plants and animals, is a dynamic ecosystem attribute and an important feedback to climate change. Vegetation phenology is commonly monitored at canopy to continental scales using ground based digital repeat photography and satellite remote sensing, respectively. Existing systems which provide sufficient temporal resolution for phenological monitoring, however, lack the spectral resolution necessary to investigate the coupling of phenology with canopy chemistry (e.g. chlorophyll, nitrogen, lignin-cellulose content). Some researchers have used narrowband (imaging spectrometers to investigate the coupling of canopy phenology and the leaf biochemistry of individual trees. During the growing season of April-October 2013 we deployed an imaging spectrometer with a spectral range of 371-1042 nm and resolution of ~5 nm (Surface Optics Corporation 710; San Diego, CA) on a 35 m tall tower at the Harvard Forest, Massachusetts. The image resolution was ~0.25 megapixels and the field of view encompassed approximately 20 individual tree crowns at a distance of 20-40 m. The instrument was focused on a mixed hardwoods canopy composed of 4 deciduous tree species and one coniferous tree species. Scanning was performed daily with an acquisition frequency of 30 minutes during daylight hours. Derived imagery were used to calculate a suite of published spectral indices used to estimate foliar content of key pigments: cholorophyll, carotenoids and anthocyanins. Additionally, we calculated the photochemical reflectance index (PRI) as well as the position and slope of the red edge as indicators of mid- to late-summer plant stress. Changes in the spectral shape and indices throughout the growing season revealed coupling of leaf biochemistry and phenology, as visually observed in situ. Further, the spectrally rich imagery provided well calibrated reflectance data to simulate vegetation index time series of common spaceborne remote sensing platforms such as the

  3. Incorporating Students' Self-Designed, Research-Based Analytical Chemistry Projects into the Instrumentation Curriculum

    Science.gov (United States)

    Gao, Ruomei

    2015-01-01

    In a typical chemistry instrumentation laboratory, students learn analytical techniques through a well-developed procedure. Such an approach, however, does not engage students in a creative endeavor. To foster the intrinsic motivation of students' desire to learn, improve their confidence in self-directed learning activities and enhance their…

  4. Juicing the Juice: A Laboratory-Based Case Study for an Instrumental Analytical Chemistry Course

    Science.gov (United States)

    Schaber, Peter M.; Dinan, Frank J.; St. Phillips, Michael; Larson, Renee; Pines, Harvey A.; Larkin, Judith E.

    2011-01-01

    A young, inexperienced Food and Drug Administration (FDA) chemist is asked to distinguish between authentic fresh orange juice and suspected reconstituted orange juice falsely labeled as fresh. In an advanced instrumental analytical chemistry application of this case, inductively coupled plasma (ICP) spectroscopy is used to distinguish between the…

  5. Using Web-Based Video as an Assessment Tool for Student Performance in Organic Chemistry

    Science.gov (United States)

    Tierney, John; Bodek, Matthew; Fredricks, Susan; Dudkin, Elizabeth; Kistler, Kurt

    2014-01-01

    This article shows the potential for using video responses to specific questions as part of the assessment process in an organic chemistry class. These exercises have been used with a postbaccalaureate cohort of 40 students, learning in an online environment, over a period of four years. A second cohort of 25 second-year students taking the…

  6. Inquiry-Based Arson Investigation for General Chemistry Using GC-MS

    Science.gov (United States)

    Maurer, Marta K.; Bukowski, Michael R.; Menachery, Mary D.; Zatorsky, Adam R.

    2010-01-01

    We have developed a two-week guided-inquiry laboratory in which first-semester general chemistry students investigate a suspected arson using gas chromatography--mass spectrometry and paper chromatography. In the process of evaluating evidence from the crime scene, students develop and test hypotheses and learn the fundamentals of chromatography,…

  7. "JCE" Classroom Activity #110: Artistic Anthocyanins and Acid-Base Chemistry

    Science.gov (United States)

    Lech, Jenna; Dounin, Vladimir

    2011-01-01

    Art and science are sometimes viewed as opposing subjects, but are united in many ways. With an increased awareness of the benefits of interdisciplinary studies in education, it is desirable to show students how different subjects impact one another. Visual arts are greatly connected to chemistry in several ways. Pigments are usually synthetically…

  8. Teaching Assistants' Perceptions of a Training to Support an Inquiry-Based General Chemistry Laboratory Course

    Science.gov (United States)

    Wheeler, Lindsay B.; Maeng, Jennifer L.; Whitworth, Brooke A.

    2015-01-01

    The purpose of this qualitative investigation was to better understand teaching assistants' (TAs') perceptions of training in a guided inquiry undergraduate general chemistry laboratory context. The training was developed using existing TA training literature and informed by situated learning theory. TAs engaged in training prior to teaching (~25…

  9. Benefits of a Game-Based Review Module in Chemistry Courses for Nonmajors

    Science.gov (United States)

    Stringfield, Thomas W.; Kramer, Eugene F.

    2014-01-01

    Review sessions provide an opportunity for students to reflect on the material they have learned. Game shows can grab the students' interest and make them invested in the outcomes of their learning. A module developed around game show review was studied in chemistry courses for nonmajors to determine whether benefits could be found in…

  10. Differences in Knowledge Networks about Acids and Bases of Year-12, Undergraduate and Postgraduate Chemistry Students.

    Science.gov (United States)

    Wilson, Janice M.

    1998-01-01

    Differences in the status of ontological categories on the concept maps of secondary-, undergraduate- and graduate-level chemistry students were analyzed with the "Pathfinder" scaling algorithm and multidimensional scaling. Results indicate differences among groups in the structural significance of abstract process-related nodes and matter-related…

  11. PERANGKAT PEMBELAJARAN PROBLEM BASED LEARNING BERORIENTASI GREEN CHEMISTRY MATERI HIDROLISIS GARAM UNTUK MENGEMBANGKAN SOFT SKILL KONSERVASI SISWA

    Directory of Open Access Journals (Sweden)

    A. Rosita

    2014-11-01

    Full Text Available Penelitian ini bertujuan untuk mengembangkan perangkat pembelajaran problem based learning berorientasi green chemistry pada materi hidrolisis garam untuk mengembangkan soft skill konservasi siswa SMA. Metode penelitian ini adalah research and development (R&D. Hasil penelitian menunjukkan LKS yang dikembangkan sangat layak untuk digunakan dalam pembelajaran kimia. Perangkat pembelajaran dapat meningkatkan pemahaman konsep siswa materi hidrolisis garam dengan N-gain sebesar 0,63 (sedang. Peningkatan soft skill konservasi siswa yang berkriteria tinggi sebanyak 35,48 % sedangkan yang berkriteria sedang 64,52 %. This research has aim to developt teaching and learning instrument application on problem based learning which oriented on green chemistry on salt hydrolisys for developing conservation soft skill for student. The method of this research is research and development (R&D. The results showed a very worthy worksheets developed for use in teaching chemistry. Teaching instrument can improve the understanding of student concept of salt hydrolysis matery can get N-gain 0,63 (medium. The improving soft skill of student conservation has high criteria 35,48%. For medium has 64,52%.

  12. Synchrotron-based soft X-ray spectroscopy in CosmoGeoBio-chemistry. Toward future sample return space explorations

    International Nuclear Information System (INIS)

    The author's invited talk in the special session 'Challenge of Analytical Chemistry: Question of Life and the Universe' at the 73th The Japan Society for Analytical Chemistry Workshop (May 18-19, 2013, Hakodate Campus, Hokkaido University), is summarized Synchrotron-based Scanning Transmission soft X-ray Microscope (STXM) with high spatial resolution (< 30 nm) enables non-destructive quantitation of the chemical structures of submicron-sized organic polymers and biological samples. In this review paper, applications of STXM in the fields of cosmochemistry (organic matter in meteorites and cometary dusts), geochemistry (hydrothermal plume particles, ancient graphite in 3.85 Ga old rock), and life science (quantitative component maps, 3D-spectro-tomography, microbe-mineral interaction) are introduced, which could lead to a further application of STXM in the future sample return space explorations for understanding planetary environments and habitability. (author)

  13. Equilibrium constraints on buffer erosion based on the chemistry and chemical evolution of glacial meltwaters

    International Nuclear Information System (INIS)

    Document available in extended abstract form only. Colloidal montmorillonite sols could form if the bentonite buffer in a KBS-3 repository for spent nuclear fuel should expand into a fracture and come into contact with dilute glacial meltwaters that have migrated to repository depths from the surface of a warm-based ice sheet. Transport of the sols away from deposition holes in flowing groundwater could conceivably result in significant erosional mass losses of the buffer, thus compromising one or more safety functions assigned to this key engineered barrier. Equilibrium constraints on sol formation were considered in the present study based on observations characterizing the chemistry of sub-glacial meltwaters and the possible chemical evolution of such solutions as they migrate through repository host rocks at Forsmark. Montmorillonite sols are stable under two general limiting conditions: 1) if the concentrations of divalent cations in the colloidal system are below a threshold 'critical coagulation concentration' (CCC) consistent with DLVO theory and the Shulze-Hardy rule, or 2) if monovalent cations occupy a significant fraction of ion-exchange sites. Regarding the first condition, the CCC for Ca2+, the dominant divalent cation in many Swedish groundwaters, is approximately 1 mM. Regarding the second condition, a limited number of experimental studies indicate that montmorillonite sols become unstable, forming gels, if the equivalent fraction, X, of Ca2+ on exchange sites ≥ 0.9. This behaviour results from the effects of ion-ion correlations, which are not accounted for in DLVO theory and which strongly increase the net attraction between colloidal particles having high surface charge and divalent counterions in the electrical double layer. Mass-action constraints for the reaction Ca2+(solution) + 2Na+(montmorillonite) = 2Na+(solution) + Ca2+(montmorillonite) assuming that 1) exchange sites are occupied predominantly by Na+ and/or Ca2+ and 2) the

  14. Factors related to the economic sustainability of two-year chemistry-based technology training programs

    Science.gov (United States)

    Backus, Bridgid A.

    Two-year chemistry-based technology training (CBTT) programs in the U.S. are important in the preparation of the professional technical workforce. The purpose of this study was to identify, examine, and analyze factors related to the economic sustainability of CBTT programs. A review of literature identified four clustered categories of 31 sub-factors related to program sustainability. Three research questions relating to program sustainability were: (1) What is the relative importance of the identified factors?, (2) What differences exist between the opinions of administrators and faculty?, and (3) What are the interrelationships among the factors? In order to answer these questions, survey data gathered from CBTT programs throughout the United States were analyzed statistically. Conclusions included the following: (1) Rank order of the importance to sustainability of the clustered categories was: (1) Partnerships, (2) Employer and Student Educational Goals, (3) Faculty and Their Resources, and (4) Community Perceptions and Marketing Strategies. (2) Significant correlations between ratings of sustainability and the sub-factors included: degree of partnering, college responsiveness, administration involvement in partnerships, experiential learning opportunities, employer input in curriculum development, use of skill standards, number of program graduates, student job placement, professional development opportunities, administrator support, presence of a champion, flexible scheduling, program visibility, perception of chemical technicians, marketing plans, and promotion to secondary students. (3) Faculty and administrators differed significantly on only two sub-factor ratings: employer assisted curriculum development, and faculty workloads. (4) Significant differences in ratings by small program faculty and administrators and large program faculty and administrators were indicated, with most between small program faculty and large program administrators. The study

  15. Chemistry Notes

    Science.gov (United States)

    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)

  16. Colour Chemistry

    Science.gov (United States)

    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)

  17. Domain-specific expertise of chemistry teachers on context-based education about macro-micro thinking in structure-property relations

    OpenAIRE

    Dolfing, R.; Bulte, A.M.W.; Pilot, A.; Vermunt, J. D.

    2012-01-01

    This study aims to determine and describe the new domain-specific expertise of experienced chemistry teachers in teaching an innovative context-based unit about macro– micro thinking in structure–property relations. The construct of ‘teachers’ domain-specific expertise’ was used to analyse the new repertoire chemistry teachers need to acquire to teach a context-based unit and achieve the intended effects of the curriculum innovation. A phenomenological approach of exploration and verification...

  18. Chemistry in Microfluidic Channels

    Science.gov (United States)

    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…

  19. Positronium chemistry

    CERN Document Server

    Green, James

    1964-01-01

    Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence

  20. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

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

  1. The Efficacy of Problem-based Learning in an Analytical Laboratory Course for Pre-service Chemistry Teachers

    Science.gov (United States)

    Yoon, Heojeong; Woo, Ae Ja; Treagust, David; Chandrasegaran, AL

    2014-01-01

    The efficacy of problem-based learning (PBL) in an analytical chemistry laboratory course was studied using a programme that was designed and implemented with 20 students in a treatment group over 10 weeks. Data from 26 students in a traditional analytical chemistry laboratory course were used for comparison. Differences in the creative thinking ability of students in both the treatment and control groups were evaluated before and at the end of the implementation of the programme, using the Torrance Tests of Creative Thinking. In addition, changes in students' self-regulated learning skills using the Self-Regulated Learning Interview Schedule (SRLIS) and their self-evaluation proficiency were evaluated. Analysis of covariance showed that the creative thinking ability of the treatment group had improved statistically significantly after the PBL course (p self-regulated learning strategies more frequently than students in the comparison group. According to the results of the self-evaluation, students became more positive and confident in problem-solving and group work as the semester progressed. Overall, PBL was shown to be an effective pedagogical instructional strategy for enhancing chemistry students' creative thinking ability, self-regulated learning skills and self-evaluation.

  2. Investigating the Chemical Pathways to PAH- and PANH-Based Aerosols in Titan's Atmospheric chemistry

    Science.gov (United States)

    Sciamma-O'Brien, Ella Marion; Contreras, Cesar; Ricketts, Claire Louise; Salama, Farid

    2011-01-01

    A complex organic chemistry between Titan's two main constituents, N2 and CH4, leads to the production of more complex molecules and subsequently to solid organic aerosols. These aerosols are at the origin of the haze layers giving Titan its characteristic orange color. In situ measurements by the Ion Neutral Mass Spectrometer (INMS) and Cassini Plasma Spectrometer (CAPS) instruments onboard Cassini have revealed the presence of large amounts of neutral, positively and negatively charged heavy molecules in the ionosphere of Titan. In particular, benzene (C6H6) and toluene (C6H5CH3), which are critical precursors of polycyclic aromatic hydrocarbon (PAH) compounds, have been detected, suggesting that PAHs might play a role in the production of Titan s aerosols. Moreover, results from numerical models as well as laboratory simulations of Titan s atmospheric chemistry are also suggesting chemical pathways that link the simple precursor molecules resulting from the first steps of the N2-CH4 chemistry (C2H2, C2H4, HCN ...) to benzene, and to PAHs and nitrogen-containing PAHs (or PANHs) as precursors to the production of solid aerosols.

  3. Focus on the nanomaterial-based biosensor papers in Chinese Journal of Analytical Chemistry of the year 2010

    Institute of Scientific and Technical Information of China (English)

    LIU Xia; MA LiNa; WANG ZhenXin

    2011-01-01

    Because of their unique physical and chemical properties,nanomaterials have been widely used to develop biosensing systems for bioanalytical and biomedical applications.The journal Chinese Journal of Analytical Chemistry published 35 papers on nanomaterial-based biosensors in 2010,including 5 reviews [1-5] and 29 research articles [6-34].These biosensing systems were fabricated by a broad range of nanomaterials (e.g.,carbon nanotube,gold nanoparticle,magnetic nanoparticle,silica nanoparticle,quantum dot,and so forth,Figure 1),some of them have high quality and get great achievements.

  4. Web-based computational chemistry education with CHARMMing II: Coarse-grained protein folding.

    Directory of Open Access Journals (Sweden)

    Frank C Pickard

    2014-07-01

    Full Text Available A lesson utilizing a coarse-grained (CG Gō-like model has been implemented into the CHARMM INterface and Graphics (CHARMMing web portal (www.charmming.org to the Chemistry at HARvard Macromolecular Mechanics (CHARMM molecular simulation package. While widely used to model various biophysical processes, such as protein folding and aggregation, CG models can also serve as an educational tool because they can provide qualitative descriptions of complex biophysical phenomena for a relatively cheap computational cost. As a proof of concept, this lesson demonstrates the construction of a CG model of a small globular protein, its simulation via Langevin dynamics, and the analysis of the resulting data. This lesson makes connections between modern molecular simulation techniques and topics commonly presented in an advanced undergraduate lecture on physical chemistry. It culminates in a straightforward analysis of a short dynamics trajectory of a small fast folding globular protein; we briefly describe the thermodynamic properties that can be calculated from this analysis. The assumptions inherent in the model and the data analysis are laid out in a clear, concise manner, and the techniques used are consistent with those employed by specialists in the field of CG modeling. One of the major tasks in building the Gō-like model is determining the relative strength of the nonbonded interactions between coarse-grained sites. New functionality has been added to CHARMMing to facilitate this process. The implementation of these features into CHARMMing helps automate many of the tedious aspects of constructing a CG Gō model. The CG model builder and its accompanying lesson should be a valuable tool to chemistry students, teachers, and modelers in the field.

  5. Conference 'Chemistry of hydrides' Proceedings

    International Nuclear Information System (INIS)

    This collection of thesis of conference of Chemistry hydrides presents the results of investigations concerning of base questions of chemistry of nonorganic hydrides, including synthesis questions, studying of physical and chemical properties, thermodynamics, analytical chemistry, investigation of structure, equilibriums in the systems of metal-hydrogen, behaviour of nonorganic hydrides in non-water mediums and applying investigations in the chemistry area and technology of nonorganic hydrides

  6. Nitrogen oxide air pollution: atmospheric chemistry. 1964-1978 (citations from the NTIS data base). Report for 1964-78

    Energy Technology Data Exchange (ETDEWEB)

    Cavagnaro, D.M.

    1980-10-01

    Research reports on photochemical air pollution models, smog chemistry and reactivity, and SSt exhaust effects are cited in the bibliography. Auroral and upper atmospheric in chemistry, and photochemistry of naturally occurring nitrogen oxides are excluded. (Contains 247 citations)

  7. Results from a model of course-based undergraduate research in the first- and second-year chemistry curriculum

    Science.gov (United States)

    Weaver, Gabriela

    2014-03-01

    The Center for Authentic Science Practice in Education (CASPiE) is a project funded by the URC program of the NSF Chemistry Division. The purpose of CASPiE was to provide students in first and second year laboratory courses with authentic research experiences as a gateway to more traditional forms of undergraduate research. Each research experience is a 6- to 8-week laboratory project based on and contributing to the research work of the experiment's author through data or preparation of samples. The CASPiE program has resulted in a model for engaging students in undergraduate research early in their college careers. To date, CASPiE has provided that experience to over 6000 students at 17 different institutions. Evaluation data collected has included student surveys, interviews and longitudinal analysis of performance. We have found that students' perceptions of their understanding of the material and the discipline increase over the course of the semester, whereas they are seen to decrease in the control courses. Students demonstrate a greater ability to explain the meaning and purpose of their experimental procedures and results and provide extensions to the experimental design, compared not only to control courses but also compared to inquiry-based courses. Longitudinal analysis of grades indicates a possible benefit to performance in courses related to the discipline two and three years later. A similar implementation in biology courses has demonstrated an increase in critical thinking scores. Work supported by the National Science Foundation, Division of Chemistry.

  8. Bioinorganic Chemistry

    OpenAIRE

    Bertini, Ivano; Gray, Harry B.; Lippard, Stephen J.; Valentine, Joan Selverstone

    1994-01-01

    This book covers material that could be included in a one-quarter or one-semester course in bioinorganic chemistry for graduate students and advanced undergraduate students in chemistry or biochemistry. We believe that such a course should provide students with the background required to follow the research literature in the field. The topics were chosen to represent those areas of bioinorganic chemistry that are mature enough for textbook presentation. Although each chapter presents material...

  9. Organic chemistry

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-08-15

    This book with sixteen chapter explains organic chemistry on linkage isomerism such as alkane, cycloalkane, alkene, aromatic compounds, stereo selective isomerization, aromatic compounds, stereo selective isomerization, organic compounds, stereo selective isomerization, organic halogen compound, alcohol, ether, aldehyde and ketone, carboxylic acid, dicarboxylic acid, fat and detergent, amino, carbohydrate, amino acid and protein, nucleotide and nucleic acid and spectroscopy, a polymer and medical chemistry. Each chapter has introduction structure and characteristic and using of organic chemistry.

  10. Social Chemistry

    OpenAIRE

    Lichtfouse, Eric; Schwarzbauer, Jan; Robert, Didier

    2012-01-01

    International audience This article is both an essay to propose social chemistry as a new scientific discipline, and a preface of the book Environmental Chemistry for a Sustainable World. Environmental chemistry is a fast emerging discipline aiming at the understanding the fate of pollutants in ecosystems and at designing novel processes that are safe for ecosystems. Past pollution should be cleaned, future pollution should be predicted and avoided (Lichtfouse et al., 2005a). Such advices ...

  11. Computational chemistry

    OpenAIRE

    Truhlar, Donald G.; McKoy, Vincent

    2000-01-01

    Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlighted the importance of these advances in computational chemistry. With massively parallel computers ...

  12. Application of fundamental aquatic chemistry to the safety case and the role of thermodynamic reference data bases

    Energy Technology Data Exchange (ETDEWEB)

    Altmaier, Marcus; Gaona, Xavier; Fellhauer, David; Geckeis, Horst [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Nuclear Waste Disposal

    2015-07-01

    All national and international programs developing a Nuclear Waste Disposal Safety Case have recognized the essential requirement of assessing aqueous (radionuclide) chemistry and establishing reliable thermodynamic databases. Long-term disposal of nuclear waste in deep underground repositories is the safest option to separate highly hazardous radionuclides from the environment. In order to predict the long-term performance of a repository for different evolution scenarios, the potentially relevant specific (geo)chemical systems are analyzed. This requires a detailed understanding of solubility, speciation and thermodynamics for all relevant components including radionuclides, and the availability of reliable thermodynamic data and databases as fundamental input for integral geochemical model calculations and hence PA. Radionuclide solubility and speciation strongly depend on chemical conditions (pH, E{sub h}, matrix electrolyte system and ionic strength) with additional factors like the presence of complexing ligands or temperature further impacting solution chemistry. As the fundamental chemical key processes are known and convincingly described by general laws of nature (→ solution thermodynamics), the long-term behavior of a repository system can be analyzed over geological timescales using geochemical tools. A key application of fundamental aquatic chemistry in the Safety Case is the determination of solubility limits (radionuclide source terms). Based upon fundamental chemical information (on solid phases, complexation reactions, activity coefficients, etc.), the maximum amount of radionuclides potentially dissolved in a given volume of solution and transported away from the repository, are quantified. A detailed understanding of radionuclide chemistry is also crucial for neighboring fields. For example, advanced mechanistic understanding and modeling of sorption processes at the solid liquid interphase, waste dissolution processes, secondary phase and

  13. Application of fundamental aquatic chemistry to the safety case and the role of thermodynamic reference data bases

    International Nuclear Information System (INIS)

    All national and international programs developing a Nuclear Waste Disposal Safety Case have recognized the essential requirement of assessing aqueous (radionuclide) chemistry and establishing reliable thermodynamic databases. Long-term disposal of nuclear waste in deep underground repositories is the safest option to separate highly hazardous radionuclides from the environment. In order to predict the long-term performance of a repository for different evolution scenarios, the potentially relevant specific (geo)chemical systems are analyzed. This requires a detailed understanding of solubility, speciation and thermodynamics for all relevant components including radionuclides, and the availability of reliable thermodynamic data and databases as fundamental input for integral geochemical model calculations and hence PA. Radionuclide solubility and speciation strongly depend on chemical conditions (pH, Eh, matrix electrolyte system and ionic strength) with additional factors like the presence of complexing ligands or temperature further impacting solution chemistry. As the fundamental chemical key processes are known and convincingly described by general laws of nature (→ solution thermodynamics), the long-term behavior of a repository system can be analyzed over geological timescales using geochemical tools. A key application of fundamental aquatic chemistry in the Safety Case is the determination of solubility limits (radionuclide source terms). Based upon fundamental chemical information (on solid phases, complexation reactions, activity coefficients, etc.), the maximum amount of radionuclides potentially dissolved in a given volume of solution and transported away from the repository, are quantified. A detailed understanding of radionuclide chemistry is also crucial for neighboring fields. For example, advanced mechanistic understanding and modeling of sorption processes at the solid liquid interphase, waste dissolution processes, secondary phase and solid

  14. Study of interdisciplinarity in chemistry research based on the production of Puerto Rican scientists 1992-2001. Interdisciplinarity, Bibliometric indicators, Chemistry

    OpenAIRE

    Elias Sanz-Casado; Carmen Martin-Moreno; Carlos Garcia-Zorita; Maria Luisa Lascurain-Sanchez

    2004-01-01

    Determining the role played by interdisciplinarity in the generation of knowledge is a very fertile line of research in which synergies among different fields of science can be identified and their impact on research efficiency ascertained. A number of methods may be used to explore interdisciplinarity, from the sociological approach to those requiring the application of bibliometric indicators. In this paper, a bibliometric analysis of the research conducted by scientists with the Chemistry ...

  15. Neural Network Based on Quantum Chemistry for Predicting Melting Point of Organic Compounds

    Institute of Scientific and Technical Information of China (English)

    Juan A. Lazzús

    2009-01-01

    The melting points of organic compounds were estimated using a combined method that includes a backpropagation neural network and quantitative structure property relationship (QSPR) parameters in quantum chemistry. Eleven descriptors that reflect the intermolec-ular forces and molecular symmetry were used as input variables. QSPR parameters were calculated using molecular modeling and PM3 semi-empirical molecular orbital theories. A total of 260 compounds were used to train the network, which was developed using MatLab. Then, the melting points of 73 other compounds were predicted and results were compared to experimental data from the literature. The study shows that the chosen artificial neural network and the quantitative structure property relationships method present an excellent alternative for the estimation of the melting point of an organic compound, with average absolute deviation of 5%.

  16. Synthesis and carbonization chemistry of a phosphorous-nitrogen based intumescent flame retardant

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Haiyun, E-mail: mahaiyun@gmail.com [College of Chemistry and Environmental Science, HeBei University, Baoding, Hebei Province 071002 (China); Fang, Zhengping [MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Institute of Polymer Composites, Zhejiang University, Hangzhou 310027 (China); Laboratory of Polymer Materials and Engineering, Ningbo Institute of Technology, Zhejiang University, Ningbo 315100 (China)

    2012-09-10

    Graphical abstract: The carbonization chemistry and mechanism of a novel synthesized intumescent flame retardant. The final chars showed a complex P-O-Ph and aromatic/graphitic structure containing architecture. Highlights: Black-Right-Pointing-Pointer The IFR synthesized is polymeric and has high molecular weight. Black-Right-Pointing-Pointer The IFR has a higher thermal stability than most of the commercial IFRs. Black-Right-Pointing-Pointer The final chars of IFR showed a complex P-O-Ph and aromatic/graphitic structure. - Abstract: In this work, a polymeric phosphorous-nitrogen containing intumescent flame retardant, named poly(diaminodiphenyl methane spirocyclic pentaerythritol bisphosphonate) (PDSPB), was synthesized. The carbonization chemistry was investigated. FTIR and {sup 1}H NMR were used to confirm the chemical structure of PDSPB. Thermogravimetric analysis (TGA), scanning electron microscopy (SEM), transmission electron microscopy (TEM), in situ FTIR and energy dispersive X-ray (EDX) were used to investigate and monitor the chemical structural changes during thermal degradation. PDSPB demonstrated a three-step degradation behavior. PDSPB oligomers continuously polymerized and generated a higher macromolecular weight during the first step (200-250 Degree-Sign C). The phosphate ester bonds were broken down and phosphoric acid was released which dehydrated the carbon source to form chars during the second step (280-320 Degree-Sign C). The residues will be further degraded and form final chars during the final weight loss step (400-450 Degree-Sign C). The final chars showed a complex P-O-Ph and aromatic/graphitic structure containing architecture.

  17. Students’ interest and experiences in physics and chemistry related themes: Reflections based on a ROSE-survey in Finland

    Directory of Open Access Journals (Sweden)

    Jari Lavonen

    2008-01-01

    Full Text Available Interest in physics and chemistry topics and out-of-school experiences of Finnish secondary school students (n=3626, median age 15 were surveyed using the international ROSE questionnaire. Based on explorative factor analysis the scores of six out-of-school experience factors (indicating how often students had done something outside of school and eight topic factors (indicating how interested students were in learning about something were studied. The students had a lot of out-of-school experiences in simple measuring and observing and in ICT use, but they had few science and technology related hobbies and activities or experiences of camping. Several gender differences were found. Observing natural phenomena and collecting objects was the most important factor correlating with the topic factors. Factors measuring experiences of ICT use and the use of mechanical tools had the lowest correlations with the topic factors. Based on the results, the implications for science education will be discussed.

  18. Good chemistry

    OpenAIRE

    Petsko, Gregory A

    2004-01-01

    The subject matter in chemistry courses reflects almost nothing of the issues that chemists are interested in. It is important to formulate a set of topics - and a Medical College Admissions Test reflecting them - that would leave chemistry departments no choice but to change their teaching.

  19. A Reconstruction of Development of the Periodic Table Based on History and Philosophy of Science and Its Implications for General Chemistry Textbooks

    Science.gov (United States)

    Brito, Angmary; Rodriguez, Maria A.; Niaz, Mansoor

    2005-01-01

    The objectives of this study are: (a) elaboration of a history and philosophy of science (HPS) framework based on a reconstruction of the development of the periodic table; (b) formulation of seven criteria based on the framework; and (c) evaluation of 57 freshman college-level general chemistry textbooks with respect to the presentation of the…

  20. A Competency-Based Clinical Chemistry Course for the Associate Degree Medical Laboratory Technician Graduate in a Medical Technology Baccalaureate Program.

    Science.gov (United States)

    Buccelli, Pamela

    Presented is a project that developed a competency-based clinical chemistry course for associate degree medical laboratory technicians (MLT) in a medical technology (MT) baccalaureate program. Content of the course was based upon competencies expected of medical technologists at career-entry as defined in the statements adopted in 1976 by the…

  1. A Comparative Study of the Effects of a Concept Mapping Enhanced Laboratory Experience on Turkish High School Students' Understanding of Acid-Base Chemistry

    Science.gov (United States)

    Ozmen, Haluk; Demircioglu, Gokhan; Coll, Richard K.

    2009-01-01

    The research reported here consists of the introduction of an intervention based on a series of laboratory activities combined with concept mapping. The purpose of this intervention was to enhance student understanding of acid-base chemistry for tenth grade students' from two classes in a Turkish high school. An additional aim was to enhance…

  2. Isoprene concentrations over Russia: ground-based measurements and chemistry-transport modeling

    Science.gov (United States)

    Berezina, Elena; Konovalov, Igor; Berezin, Evgeny; Skorokhod, Andrey; Elansky, Nikolay; Belikov, Igor

    2016-04-01

    Near-surface isoprene concentration was measured over Russia using the proton mass spectrometry method (PTR-MS) in TROICA (TRanscontinental Observations Into the Chemistry of the Atmosphere) experiments along the Trans-Siberian railway from 21.06.08 to 04.08.08 (TROICA-12) and from 08.10.09 to 23.10.09 (TROICA-13). The highest isoprene concentration is observed in the Far East (up to 3 ppb) due to the emissions from the major isoprene source - deciduous forests. The TROICA measurements were compared to the corresponding simulations performed with the CHIMERE chemistry transport model (CTM) using the MEGAN biogenic emission inventory. Simulated and measured isoprene concentrations are highly correlated (r = 0.8), but the simulated isoprene concentration is about 4-6 times higher than the measured one. The selection of daytime and background (from isoprene/benzene ratios) isoprene concentrations don't significantly increase the experimental values; moreover, even the isoprene concentration corrected for atmospheric photochemical losses (that is, the near-source concentration) is found to be 1.5 times lower than the simulated data. Therefore, the systematic discrepancy between the measurements and simulations could not be unambiguously attributed to the representativity error. The weak exponential dependence of summer isoprene concentration on temperature both for the model (R2 = 0.3) and for the experimental data (R2 = 0.4) is observed. However, a much stronger linear correlation (r ~ 0.9) is found between the isoprene concentration and temperature in Russian regions separated according to the type of vegetation. The differences between the simulated and experimental dependences of isoprene concentration on temperature are not statistically significant. The above results prompt the conclusion that the parameterization of isoprene emissions in the CHIMERE CTM is qualitatively adequate, but the isoprene emission factors applicable for Russian forest are likely

  3. Quantitative analysis chemistry

    International Nuclear Information System (INIS)

    This book is about quantitative analysis chemistry. It is divided into ten chapters, which deal with the basic conception of material with the meaning of analysis chemistry and SI units, chemical equilibrium, basic preparation for quantitative analysis, introduction of volumetric analysis, acid-base titration of outline and experiment examples, chelate titration, oxidation-reduction titration with introduction, titration curve, and diazotization titration, precipitation titration, electrometric titration and quantitative analysis.

  4. Impact of surface chemistry

    OpenAIRE

    Somorjai, Gabor A.; Li, Yimin

    2010-01-01

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

  5. Preparation and application of a novel electrochemical sensing material based on surface chemistry of polyhydroquinone

    International Nuclear Information System (INIS)

    A new analogue of polydopamine (PDA), i.e., polyhydroquinone (PH2Q), was polymerized and its surface chemistry was studied by different ways of characterization. PH2Q was produced by the self-polymerization of H2Q mediated by dissolved oxygen, and the self-polymerization process was strongly dependent on the type and the pH value of the buffer solutions. PH2Q can not only achieve surface hydrophilization of different substrates like polyethylene terephthalate (PET) film, graphite strip, C12SH/Au and wax slice, but also possess several unique properties like reversible adsorption, good solubility and low cost. These properties made PH2Q an ideal polymeric modifier for the noncovalent functionalization of some nanomaterials. By simply grinding with PH2Q, pristine multi-walled carbon nanotubes (MWNTs) can be readily dispersed in water with high solubility and good stability. The resulting MWNT–PH2Q composite exhibited excellent electrochemical performance, which was employed for the simultaneous determination of dopamine (DA) and uric acid (UA). - Highlights: • Polyhydroquinone (PH2Q) was produced by the self-polymerization of hydroquinone (H2Q) mediated by dissolved oxygen. • PH2Q can achieve surface hydrophilization of a variety of substrates. • PH2Q is an ideal polymeric modifier for the functionalization of multi-walled carbon nanotubes (MWNTs). • The MWNT–PH2Q composite can be employed for the simultaneous determination of dopamine (DA) and uric acid (UA)

  6. Some strategies to improve performance in school chemistry, based on two cognitive factors

    Science.gov (United States)

    Danili, Eleni; Reid, Norman

    2004-02-01

    The background to this study are the difficulties facing the majority of Greek pupils in understanding chemistry concepts and, therefore, performing well in the National Examinations. The aim was to explore the problems and to suggest ways in which the situation might be improved. Working with 105 Greek pupils aged 15 to 16, the first stage of the enquiry confirmed that both working memory space and extent of field dependency were two psychological factors affecting performance. This is at least part of the nature of the problem. In the second stage, an attempt was made to explore how the problems might be reduced. New teaching materials were constructed to minimize any limitations to learning caused by working memory space and problems associated with being field dependent. The use of the new materials was compared to the normal teaching process working with 210 Greek pupils aged 15 to16. It was found that there was a significant difference in the average improvement of the experimental group and the control group, in favour of the experimental group. This result was independent of the effect of the teacher, and of the interaction of teaching method and teacher. It is suggested that approaches to learning must take into account cognitive factors in the learners in the context of information processing understandings of learning. If this is done, learning is much more effective.

  7. Efavirenz a nonnucleoside reverse transcriptase inhibitor of first-generation: Approaches based on its medicinal chemistry.

    Science.gov (United States)

    Bastos, Mônica M; Costa, Carolina C P; Bezerra, Talitha C; da Silva, Fernando de C; Boechat, Núbia

    2016-01-27

    Acquired immunodeficiency syndrome (AIDS) is a disease caused by human immunodeficiency virus (HIV) that affects individuals on all continents. In 1987, the antiretroviral therapy began increasing survival rates and improving the quality of life for patients. Efavirenz (EFV) is a drug widely used in the treatment of HIV-AIDS since 1998. Belonging to a class of nonnucleoside reverse transcriptase inhibitors (NNRTI), it directly blocks the action of the enzyme and consequently the multiplication of the virus. Although EFV has provided excellent results in reducing viral load, cases of resistance associated with adverse effects have led to the search to find new analogs of this drug. Although many researchers are involved in this quest, curiously there is still no clinical substitute for EFV. To develop a second-generation version of EFV, it is essential understand the structure-activity relationships of the derivative compounds. Thus, the aims of the present review are to compare EFV and its derivatives using medicinal chemistry and to describe the main synthetic routes.

  8. Web-based computational chemistry education with CHARMMing III: Reduction potentials of electron transfer proteins.

    Directory of Open Access Journals (Sweden)

    B Scott Perrin

    2014-07-01

    Full Text Available A module for fast determination of reduction potentials, E°, of redox-active proteins has been implemented in the CHARMM INterface and Graphics (CHARMMing web portal (www.charmming.org. The free energy of reduction, which is proportional to E°, is composed of an intrinsic contribution due to the redox site and an environmental contribution due to the protein and solvent. Here, the intrinsic contribution is selected from a library of pre-calculated density functional theory values for each type of redox site and redox couple, while the environmental contribution is calculated from a crystal structure of the protein using Poisson-Boltzmann continuum electrostatics. An accompanying lesson demonstrates a calculation of E°. In this lesson, an ionizable residue in a [4Fe-4S]-protein that causes a pH-dependent E° is identified, and the E° of a mutant that would test the identification is predicted. This demonstration is valuable to both computational chemistry students and researchers interested in predicting sequence determinants of E° for mutagenesis.

  9. Efavirenz a nonnucleoside reverse transcriptase inhibitor of first-generation: Approaches based on its medicinal chemistry.

    Science.gov (United States)

    Bastos, Mônica M; Costa, Carolina C P; Bezerra, Talitha C; da Silva, Fernando de C; Boechat, Núbia

    2016-01-27

    Acquired immunodeficiency syndrome (AIDS) is a disease caused by human immunodeficiency virus (HIV) that affects individuals on all continents. In 1987, the antiretroviral therapy began increasing survival rates and improving the quality of life for patients. Efavirenz (EFV) is a drug widely used in the treatment of HIV-AIDS since 1998. Belonging to a class of nonnucleoside reverse transcriptase inhibitors (NNRTI), it directly blocks the action of the enzyme and consequently the multiplication of the virus. Although EFV has provided excellent results in reducing viral load, cases of resistance associated with adverse effects have led to the search to find new analogs of this drug. Although many researchers are involved in this quest, curiously there is still no clinical substitute for EFV. To develop a second-generation version of EFV, it is essential understand the structure-activity relationships of the derivative compounds. Thus, the aims of the present review are to compare EFV and its derivatives using medicinal chemistry and to describe the main synthetic routes. PMID:26708112

  10. "Click" Chemistry-Tethered Hyaluronic Acid-Based Contact Lens Coatings Improve Lens Wettability and Lower Protein Adsorption.

    Science.gov (United States)

    Deng, Xudong; Korogiannaki, Myrto; Rastegari, Banafsheh; Zhang, Jianfeng; Chen, Mengsu; Fu, Qiang; Sheardown, Heather; Filipe, Carlos D M; Hoare, Todd

    2016-08-31

    Improving the wettability of and reducing the protein adsorption to contact lenses may be beneficial for improving wearer comfort. Herein, we describe a simple "click" chemistry approach to surface functionalize poly(2-hydroxyethyl methacrylate) (pHEMA)-based contact lenses with hyaluronic acid (HA), a carbohydrate naturally contributing to the wettability of the native tear film. A two-step preparation technique consisting of laccase/TEMPO-mediated oxidation followed by covalent grafting of hydrazide-functionalized HA via simple immersion resulted in a model lens surface that is significantly more wettable, more water retentive, and less protein binding than unmodified pHEMA while maintaining the favorable transparency, refractive, and mechanical properties of a native lens. The dipping/coating method we developed to covalently tether the HA wetting agent is simple, readily scalable, and a highly efficient route for contact lens modification. PMID:27509015

  11. Quantum chemistry

    CERN Document Server

    Lowe, John P

    1993-01-01

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

  12. Empowering chemistry teachers for context-based education. Towards a framework for design and evaluation of a teacher professional development programme in curriculum innovations

    OpenAIRE

    Stolk, M.J.

    2013-01-01

    Many countries experience a wave of context-based curriculum innovation aimed at meaningful student learning. During such innovations, teachers are encouraged to participate in the design of innovative context-based teaching materials. This thesis describes studies on the empowerment of Dutch chemistry teachers for a context-based curriculum innovation. Based on a professional development framework, a programme was designed and implemented. The findings showed that the programme resulted in e...

  13. Preparation and application of a novel electrochemical sensing material based on surface chemistry of polyhydroquinone

    Energy Technology Data Exchange (ETDEWEB)

    Dang, Xueping [Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Ministry of Education Key Laboratory for the Synthesis and Application of Organic Functional Molecules and College of Chemistry and Chemical Engineering, Hubei University, Wuhan 430062 (China); State Key Laboratory of Transducer Technology, Chinese Academy of Sciences, Beijing 10080 (China); Wang, Yingkai [Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); Hu, Chengguo, E-mail: cghu@whu.edu.cn [Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); State Key Laboratory of Transducer Technology, Chinese Academy of Sciences, Beijing 10080 (China); Huang, Jianlin; Chen, Huaixia; Wang, Shengfu [Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Ministry of Education Key Laboratory for the Synthesis and Application of Organic Functional Molecules and College of Chemistry and Chemical Engineering, Hubei University, Wuhan 430062 (China); Hu, Shengshui, E-mail: sshu@whu.edu.cn [Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); State Key Laboratory of Transducer Technology, Chinese Academy of Sciences, Beijing 10080 (China)

    2014-07-01

    A new analogue of polydopamine (PDA), i.e., polyhydroquinone (PH{sub 2}Q), was polymerized and its surface chemistry was studied by different ways of characterization. PH{sub 2}Q was produced by the self-polymerization of H{sub 2}Q mediated by dissolved oxygen, and the self-polymerization process was strongly dependent on the type and the pH value of the buffer solutions. PH{sub 2}Q can not only achieve surface hydrophilization of different substrates like polyethylene terephthalate (PET) film, graphite strip, C{sub 12}SH/Au and wax slice, but also possess several unique properties like reversible adsorption, good solubility and low cost. These properties made PH{sub 2}Q an ideal polymeric modifier for the noncovalent functionalization of some nanomaterials. By simply grinding with PH{sub 2}Q, pristine multi-walled carbon nanotubes (MWNTs) can be readily dispersed in water with high solubility and good stability. The resulting MWNT–PH{sub 2}Q composite exhibited excellent electrochemical performance, which was employed for the simultaneous determination of dopamine (DA) and uric acid (UA). - Highlights: • Polyhydroquinone (PH{sub 2}Q) was produced by the self-polymerization of hydroquinone (H{sub 2}Q) mediated by dissolved oxygen. • PH{sub 2}Q can achieve surface hydrophilization of a variety of substrates. • PH{sub 2}Q is an ideal polymeric modifier for the functionalization of multi-walled carbon nanotubes (MWNTs). • The MWNT–PH{sub 2}Q composite can be employed for the simultaneous determination of dopamine (DA) and uric acid (UA)

  14. Student Development of Information Literacy Skills during Problem-Based Organic Chemistry Laboratory Experiments

    Science.gov (United States)

    Shultz, Ginger V.; Li, Ye

    2016-01-01

    Problem-based learning methods support student learning of content as well as scientific skills. In the course of problem-based learning, students seek outside information related to the problem, and therefore, information literacy skills are practiced when problem-based learning is used. This work describes a mixed-methods approach to investigate…

  15. Introductory Chemistry

    OpenAIRE

    Baron, Mark; Gonzalez-Rodriguez, Jose; Stevens, Gary; Gray, Nathan; Atherton, Thomas; Winn, Joss

    2010-01-01

    Teaching and Learning resources for the 1st Year Introductory Chemistry course (Forensic Science). 30 credits. These are Open Educational Resources (OER), made available for re-use under a Creative Commons license.

  16. Migration chemistry

    International Nuclear Information System (INIS)

    Migration chemistry, the influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour of pollutants in the environment, is an interplay between the actual natur of the pollutant and the characteristics of the environment, such as pH, redox conditions and organic matter content. The wide selection of possible pollutants in combination with varying geological media, as well as the operation of different chemical -, biochemical - and physico-chemical reactions compleactes the prediction of the influence of these processes on the mobility of pollutants. The report summarizes a wide range of potential pollutants in the terrestrial environment as well as a variety of chemical -, biochemical - and physico-chemical reactions, which can be expected to influence the migration behaviour, comprising diffusion, dispersion, convection, sorption/desorption, precipitation/dissolution, transformations/degradations, biochemical reactions and complex formation. The latter comprises the complexation of metal ions as well as non-polar organics to naturally occurring organic macromolecules. The influence of the single types of processes on the migration process is elucidated based on theoretical studies. The influence of chemical -, biochemical - and physico-chemical reactions on the migration behaviour is unambiguous, as the processes apparently control the transport of pollutants in the terrestrial environment. As the simple, conventional KD concept breaks down, it is suggested that the migration process should be described in terms of the alternative concepts chemical dispersion, average-elution-time and effective retention. (AB) (134 refs.)

  17. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie

    2011-05-15

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

  18. Cluster Chemistry

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    @@ Cansisting of eight scientists from the State Key Laboratory of Physical Chemistry of Solid Surfaces and Xiamen University, this creative research group is devoted to the research of cluster chemistry and creation of nanomaterials.After three-year hard work, the group scored a series of encouraging progresses in synthesis of clusters with special structures, including novel fullerenes, fullerene-like metal cluster compounds as well as other related nanomaterials, and their properties study.

  19. General chemistry students' understanding of the chemistry underlying climate science

    Science.gov (United States)

    Versprille, Ashley N.

    The purpose of this study is to investigate first-semester general chemistry students' understanding of the chemistry underlying climate change. The first part of this study involves the collection of qualitative data from twenty-four first-semester general chemistry students from a large Midwestern research institution. The semi-structured interview protocol was developed based on alternative conceptions identified in the research literature and the essential principles of climate change outlined in the U.S. Climate Change Science Program (CCSP) document which pertain to chemistry (CCSP, 2003). The analysis and findings from the interviews indicate conceptual difficulties for students, both with basic climate literacy and underlying chemistry concepts. Students seem to confuse the greenhouse effect, global warming, and the ozone layer, and in terms of chemistry concepts, they lack a particulate level understanding of greenhouse gases and their interaction with electromagnetic radiation, causing them to not fully conceptualize the greenhouse effect and climate change. Based on the findings from these interviews, a Chemistry of Climate Science Diagnostic Instrument (CCSI) was developed for use in courses that teach chemistry with a rich context such as climate science. The CCSI is designed for professors who want to teach general chemistry, while also addressing core climate literacy principles. It will help professors examine their students' prior knowledge and alternative conceptions of the chemistry concepts associated with climate science, which could then inform their teaching and instruction.

  20. Evaluating cis-2,6-dimethylpiperidide (cis-DMP) as a base component in lithium-mediated zincation chemistry.

    Science.gov (United States)

    Armstrong, David R; Garden, Jennifer A; Kennedy, Alan R; Leenhouts, Sarah M; Mulvey, Robert E; O'Keefe, Philip; O'Hara, Charles T; Steven, Alan

    2013-09-27

    Most recent advances in metallation chemistry have centred on the bulky secondary amide 2,2,6,6-tetramethylpiperidide (TMP) within mixed metal, often ate, compositions. However, the precursor amine TMP(H) is rather expensive so a cheaper substitute would be welcome. Thus this study was aimed towards developing cheaper non-TMP based mixed-metal bases and, as cis-2,6-dimethylpiperidide (cis-DMP) was chosen as the alternative amide, developing cis-DMP zincate chemistry which has received meagre attention compared to that of its methyl-rich counterpart TMP. A new lithium diethylzincate, [(TMEDA)LiZn(cis-DMP)Et2] (TMEDA=N,N,N',N'-tetramethylethylenediamine) has been synthesised by co-complexation of Li(cis-DMP), Et2Zn and TMEDA, and characterised by NMR (including DOSY) spectroscopy and X-ray crystallography, which revealed a dinuclear contact ion pair arrangement. By using N,N-diisopropylbenzamide as a test aromatic substrate, the deprotonative reactivity of [(TMEDA)LiZn(cis-DMP)Et2] has been probed and contrasted with that of the known but previously uninvestigated di-tert-butylzincate, [(TMEDA)LiZn(cis-DMP)tBu2]. The former was found to be the superior base (for example, producing the ortho-deuteriated product in respective yields of 78% and 48% following D2O quenching of zincated benzamide intermediates). An 88% yield of 2-iodo-N,N-diisopropylbenzamide was obtained on reaction of two equivalents of the diethylzincate with the benzamide followed by iodination. Comparisons are also drawn using 1,1,1,3,3,3-hexamethyldisilazide (HMDS), diisopropylamide and TMP as the amide component in the lithium amide, Et2Zn and TMEDA system. Under certain conditions, the cis-DMP base system was found to give improved results in comparison to HMDS and diisopropylamide (DA), and comparable results to a TMP system. Two novel complexes isolated from reactions of the di-tert-butylzincate and crystallographically characterised, namely the pre-metallation complex [{(iPr)2N

  1. Green Chemistry Approach for Efficient Synthesis of Schiff Bases of Isatin Derivatives and Evaluation of Their Antibacterial Activities

    Directory of Open Access Journals (Sweden)

    Jnyanaranjan Panda

    2013-01-01

    Full Text Available Microwave-assisted organic synthesis, a green chemistry approach, is nowadays widely used in the drug synthesis. Microwave-assisted synthesis improves both throughput and turnaround time for medicinal chemists by offering the benefits of drastically reduced reaction times, increased yields, and pure products. Schiff bases are the important class of organic compounds due to their flexibility, and structural diversities due to the presence of azomethine group which is helpful for elucidating the mechanism of transformation and rasemination reaction in biological system. This novel compound could also act as valuable ligands for the development of new chemical entities. In the present work, some Schiff bases of Isatin derivatives was synthesized using microwave heating method. Schiff base of Isatin were synthesized by condensation of the keto group of Isatin with different aromatic primary amines. They were characterized by means of spectral data and subsequently subjected to the in vitro antibacterial activities against gram positive and gram negative strains of microbes. It was observed that the compound with electron withdrawing substituents exhibited good antibacterial activities against almost all the micro organisms.

  2. Higher Secondary Learners' Effectiveness towards Web Based Instruction (WBI) on Chemistry

    Science.gov (United States)

    Sudha, A.; Amutha, S.

    2015-01-01

    Web-based training is becoming a phenomenon in education today because of its flexibility and convenience, it is vitally important to address those issues that adversely impact retention and success in this environment. To generate principles of effective asynchronous web-based materials specifically applicable for secondary level students based…

  3. Academic Success in Context-Based Chemistry: Demonstrating Fluid Transitions between Concepts and Context

    Science.gov (United States)

    King, Donna Therese; Ritchie, Stephen M.

    2013-01-01

    Curriculum developers and researchers have promoted context-based programmes to arrest waning student interest and participation in the enabling sciences at high school and university. Context-based programmes aim for student connections between scientific discourse and real-world contexts to elevate curricular relevance without diminishing…

  4. Nitrogen oxide air pollution: atmospheric chemistry. 1979-August, 1980 (citations from the NTIS data base). Report for 1979-Aug 80

    Energy Technology Data Exchange (ETDEWEB)

    Cavagnaro, D.M.

    1980-10-01

    Photochemical air pollution models, smog chemistry and reactivity, and SSt exhaust effects are covered in the bibliography. Auroral and upper atmospheric chemistry, and photochemistry of naturally occurring nitrogen oxides are excluded. (This updated bibliography contains 63 citations, 40 of which are new entries to the previous edition.)

  5. The Role of Green Chemistry Activities in Fostering Secondary School Students' Understanding of Acid-Base Concepts and Argumentation Skills

    Science.gov (United States)

    Karpudewan, Mageswary; Roth, Wolff Michael; Sinniah, Devananthini

    2016-01-01

    In a world where environmental degradation is taking on alarming levels, understanding, and acting to minimize, the individual environmental impact is an important goal for many science educators. In this study, a green chemistry curriculum--combining chemistry experiments with everyday, environmentally friendly substances with a student-centered…

  6. An Experiential Research-Focused Approach: Implementation in a Nonlaboratory-Based Graduate-Level Analytical Chemistry Course

    Science.gov (United States)

    Toh, Chee-Seng

    2007-01-01

    A project is described which incorporates nonlaboratory research skills in a graduate level course on analytical chemistry. This project will help students to grasp the basic principles and concepts of modern analytical techniques and also help them develop relevant research skills in analytical chemistry.

  7. Teachers' professional growth during the development and class enactment of context-based chemistry student learning material

    NARCIS (Netherlands)

    Coenders, Fer

    2010-01-01

    In 2002, a committee installed by the Ministry of Education concluded that four main problems regarding the high school chemistry curriculum necessitate a major curriculum renewal. A year later the following three recommendations for such a new curriculum were formulated: (a) the chemistry content s

  8. A Summary Report of the Results of an Advertisement Placed in the "Journal of Chemical Education" Offering a Free Demonstration of Computer-Based Education in Chemistry.

    Science.gov (United States)

    Texas Univ., Austin. Project C-BE.

    Project C-BE and CONDUIT had overlapping research objectives concerning the transferability of computer-related curriculum materials. In this regard, the projects co-sponsored an advertisement placed in the Journal of Chemical Education offering a "Free Demonstration of Computer Based Education in Chemistry." Forty packets were mailed. Of this…

  9. Creating and Teaching a Web-Based, University-Level Introductory Chemistry Course that Incorporates Laboratory Exercises and Active Learning Pedagogies

    Science.gov (United States)

    Phipps, Linda R.

    2013-01-01

    An introductory, nonscience-majors chemistry course was converted to a Web-based course. The differences in student populations, teaching strategies, laboratory methods, and learning outcomes are described. Practical information is also given on the use of software and other online technology to implement course conversion. (Contains 2 tables.)

  10. Efficient Energy and Electrostatic Properties Calculations at the MP2 Theory Level: A Case Study of Density Matrix-Based Computational Quantum Chemistry

    OpenAIRE

    Grzegorz Mazur; Marcin Makowski; Jakub Sumera; Krzysztof Kowalczyk

    2012-01-01

    Wavefunction-less, density matrix-based approach to computational quantum chemistry is briefly discussed. Implementation of second-order M oller-Plesset Perturbation Method energy and dipole moment calculations within the new paradigm is presented. Efficiency and reliability of the method is analyzed.

  11. Domain-specific expertise of chemistry teachers on context-based education about macro-micro thinking in structure-property relations

    NARCIS (Netherlands)

    Dolfing, R.; Bulte, A.M.W.; Pilot, A.; Vermunt, J. D.

    2012-01-01

    This study aims to determine and describe the new domain-specific expertise of experienced chemistry teachers in teaching an innovative context-based unit about macro– micro thinking in structure–property relations. The construct of ‘teachers’ domain-specific expertise’ was used to analyse the new r

  12. 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

    Science.gov (United States)

    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.…

  13. More chemistry between green and growth. The opportunities and dilemmas of a bio-based economy

    International Nuclear Information System (INIS)

    A bio-based economy is one in which enterprises manufacture non-food products from biomass. Such products include fuel for the transport industry, chemicals, materials, and energy. Biomass is the biological material of living or recently living organisms, either animal or vegetable. With technology becoming more sophisticated, it is growing easier to turn plants, trees, crops, and residual animal waste into biomass. Waste and waste streams are increasingly being used as input in production processes, thereby gaining an economic value of their own. They are giving rise to new, sustainable products with considerable added value that replace products based on non-renewable materials. New bio-based products may offer the Netherlands new economic opportunities. The Dutch can already boast a number of distinct advantages in that respect, thanks to the sophistication of their industrial sector, agro-industry, chemicals and energy industries, and transport and logistics sector - all key sectors in a bio-based economy. However, the growing world population and increasing level of prosperity worldwide, and the environmental and climate problems associated with such growth, are adding to the complexity of policy-making aimed at developing a bio-based economy. The shift from fossil-based to bio-based materials must be part of a comprehensive policy aimed at achieving a sustainable economy.

  14. Green chemistry approach to the synthesis of potentially bioactive aminobenzylated Mannich bases through active hydrogen compounds

    Directory of Open Access Journals (Sweden)

    S. L. VASOYA

    2005-10-01

    Full Text Available An efficient and high yield method for the synthesis of aminobenzylated Mannich bases is described. The synthesis occurs in aqueous medium at 0 ºC. The compounds show moderate antitubercular and antimicrobial activities.

  15. A Bioanalytical Chemistry Experiment for Undergraduate Students: Biosensors Based on Metal Nanoparticles

    Science.gov (United States)

    Niagi, John; Warner, John; Andreesco, Silvana

    2007-01-01

    The study describes the development of new biosensors based on metal nanoparticles because of its high surface area and large binding ability. The adopted procedure is extremely simple and versatile and can be used in various applications of electrochemistry.

  16. Radiation Chemistry

    Science.gov (United States)

    Wojnárovits, L.

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

  17. Strong Relationships in Acid-Base Chemistry - Modeling Protons Based on Predictable Concentrations of Strong Ions, Total Weak Acid Concentrations, and pCO2

    DEFF Research Database (Denmark)

    Ring, Troels; Kellum, John A

    2016-01-01

    confirmed the relationship between charged species we then examine some of the classical and recent literature concerning the importance of charge balance. We conclude that focusing on the charges which are predictable such as strong ions and total concentrations of weak acids leads to new insights......Understanding acid-base regulation is often reduced to pigeonholing clinical states into categories of disorders based on arterial blood sampling. An earlier ambition to quantitatively explain disorders by measuring production and elimination of acid has not become standard clinical practice....... Seeking back to classical physical chemistry we propose that in any compartment, the requirement of electroneutrality leads to a strong relationship between charged moieties. This relationship is derived in the form of a general equation stating charge balance, making it possible to calculate [H+] and p...

  18. Implementation and Evaluation of Web-Based Learning Activities on Bonding and the Structure of Matter for 10-th Grade Chemistry

    Science.gov (United States)

    Frailich, Marcel

    This study deals with the development, implementation, and evaluation of web-based activities associated with the topic of chemical bonding , as taught in 10th grade chemistry. A website was developed entitled: "Chemistry and the Chemical Industry in the Service of Mankind", its URL is: http://stwww.weizmann.ac.il/g-chem/learnchem (Kesner, Frailich, & Hofstein, 2003). The main goal of this study was to assess the educational effectiveness of website activities dealing with the chemical bonding concept. These activities include visualization tools, as well as topics relevant to daily life and industrial applications. The study investigated the effectiveness of a web-based learning environment regarding the understanding of chemical bonding concepts, students' perceptions of the classroom learning environment, their attitudes regarding the relevance of learning chemistry to everyday life, and their interest in chemistry studies. As mentioned before, in the present study we focused on activities (from the website), all of which deal with chemical bonding concept. The following are the reasons for the decision to focus on this topic: (1) Chemical bonding is a key concept that is taught in 10th grade chemistry in high school. It provides the basis for many other chemistry topics that are taught later, and (2) Chemical bonding is a difficult for students using existing tools (e. g., static models in books, ball-and- stick models), which are insufficient to demonstrate the abstract nature phenomena associated with this topic. The four activities developed for this study are (1) models of the atomic structure, (2) metals -- structure and properties, (3) ionic substances in everyday life and in industry, and (4) molecular substances -- structure, properties, and uses. The study analyzed both quantitative and qualitative research. The quantitative tools of the study included: A Semantic Differential questionnaire and a Chemistry Classroom Web-Based Learning Environment

  19. Problem-Based Learning in an Eleventh Grade Chemistry Class: "Factors Affecting Cell Potential"

    Science.gov (United States)

    Tarhan, Leman; Acar, Burcin

    2007-01-01

    The purpose of this research study was to examine the effectiveness of problem-based learning (PBL) on eleventh grade students' understanding of "The effects of temperature, concentration and pressure on cell potential" and also their social skills. Stratified randomly selected control and experimental groups with 20 students each were used in…

  20. Colorimetric Detection of Creatinine Based on Plasmonic Nanoparticles via Synergistic Coordination Chemistry.

    Science.gov (United States)

    Du, Jianjun; Zhu, Bowen; Leow, Wan Ru; Chen, Shi; Sum, Tze Chien; Peng, Xiaojun; Chen, Xiaodong

    2015-09-01

    A simple and portable colorimetric assay for creatinine detection is fabricated based on the synergistic coordination of creatinine and uric acid with Hg(2+) on the surface of gold nanoparticles, which exhibits good selectivity and sensitivity. Point-of-care clinical creatinine monitoring can be supported for monitoring renal function and diagnosing corresponding renal diseases at home.

  1. Acid-Base Chemistry of White Wine: Analytical Characterisation and Chemical Modelling

    Directory of Open Access Journals (Sweden)

    Enrico Prenesti

    2012-01-01

    Full Text Available A chemical model of the acid-base properties is optimized for each white wine under study, together with the calculation of their ionic strength, taking into account the contributions of all significant ionic species (strong electrolytes and weak one sensitive to the chemical equilibria. Coupling the HPLC-IEC and HPLC-RP methods, we are able to quantify up to 12 carboxylic acids, the most relevant substances responsible of the acid-base equilibria of wine. The analytical concentration of carboxylic acids and of other acid-base active substances was used as input, with the total acidity, for the chemical modelling step of the study based on the contemporary treatment of overlapped protonation equilibria. New protonation constants were refined (L-lactic and succinic acids with respect to our previous investigation on red wines. Attention was paid for mixed solvent (ethanol-water mixture, ionic strength, and temperature to ensure a thermodynamic level to the study. Validation of the chemical model optimized is achieved by way of conductometric measurements and using a synthetic “wine” especially adapted for testing.

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

    Science.gov (United States)

    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. Polymer Chemistry

    Science.gov (United States)

    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.

  4. Quantum chemistry

    CERN Document Server

    Lowe, John P

    2006-01-01

    Lowe's new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate self-study and solutions to selected exercises.* Assumes little initial mathematical or physical sophistication, developing insights and abilities in the context of actual problems* Provides thorough treatment

  5. O-methylation of natural phenolic compounds based on green chemistry using dimethyl carbonate

    Science.gov (United States)

    Prakoso, N. I.; Pangestu, P. H.; Wahyuningsih, T. D.

    2016-02-01

    The alkyl aryl ether compounds, of which methyl eugenol and veratraldehyde are the simplest intermediates can be synthesized by reacting eugenol and vanillin with the green reagent dimethyl carbonate (DMC). The reaction was carried out under mild of temperature and pressure. Excellent yields and selective products were obtained (95-96%) after a few hours. In the end of the reaction, the catalysts (base and Phase Transfer Catalyst) can be recovered and regenerated.

  6. Chemistry and pharmacology of triaminedithiol technetium-based brain perfusion agents

    Energy Technology Data Exchange (ETDEWEB)

    Watson, A.D.; Walovitch, R.C.; Belonga, B.Q.; Cheesman, E.H.

    We have examined the effects of converting the technetium(V)oxo core to the technetium nitrido core in technetium complexes based on amine derivatives of the quadridentate ligand N,N'-bis(2',2'-dimethyl-2'-mercaptoethyl)-2,2-dimethylethylenediamine. Five neutral complexes containing the technetium (V) oxo core were prepared and brain uptake indices and biodistributions were carried out in rats.

  7. Online searching in project-based learning in Chemistry education and the evaluation of the results

    OpenAIRE

    Inci MORGIL; Yavuz, Soner; Senar TEMEL; Oskay, Ozge Özyalçın

    2005-01-01

    In Project-based learning, students perform learning process by preparing a project in a chosen subject. The basic steps in this process are; determining the target question, determining the main aims of the study, forming the teams, determining the properties and presentation type of the result report, forming the working agenda, determining the control points and evaluation criteria. According to the working agenda, team collect data, organize them and prepare a presentation report. In the ...

  8. Towards Bildung-Oriented Chemistry Education

    Science.gov (United States)

    Sjöström, Jesper

    2013-07-01

    This paper concerns Bildung-oriented chemistry education, based on a reflective and critical discourse of chemistry. It is contrasted with the dominant type of chemistry education, based on the mainstream discourse of chemistry. Bildung-oriented chemistry education includes not only content knowledge in chemistry, but also knowledge about chemistry, both about the nature of chemistry and about its role in society. In 2004 Mahaffy suggested a tetrahedron model based on Johnstone's chemical triangle. The latter represents the formal aspects of chemistry teaching (macro, submicro, and symbolic) and the top of the tetrahedron represents a human element. In the present paper the following subdivision of the top is suggested (starting from the bottom): (1) applied chemistry, (2) socio-cultural context, and (3) critical-philosophic approach. The professional identity of the Bildung-oriented chemistry teacher differs from that of the chemist and is informed by research fields such as Philosophy of Chemistry, Science and Technology Studies, and Environmental Education. He/she takes a socio-critical approach to chemistry, emphasising both the benefits and risks of chemistry and its applications.

  9. Web-based computational chemistry education with CHARMMing I: Lessons and tutorial.

    Directory of Open Access Journals (Sweden)

    Benjamin T Miller

    2014-07-01

    Full Text Available This article describes the development, implementation, and use of web-based "lessons" to introduce students and other newcomers to computer simulations of biological macromolecules. These lessons, i.e., interactive step-by-step instructions for performing common molecular simulation tasks, are integrated into the collaboratively developed CHARMM INterface and Graphics (CHARMMing web user interface (http://www.charmming.org. Several lessons have already been developed with new ones easily added via a provided Python script. In addition to CHARMMing's new lessons functionality, web-based graphical capabilities have been overhauled and are fully compatible with modern mobile web browsers (e.g., phones and tablets, allowing easy integration of these advanced simulation techniques into coursework. Finally, one of the primary objections to web-based systems like CHARMMing has been that "point and click" simulation set-up does little to teach the user about the underlying physics, biology, and computational methods being applied. In response to this criticism, we have developed a freely available tutorial to bridge the gap between graphical simulation setup and the technical knowledge necessary to perform simulations without user interface assistance.

  10. Recent Advances for Flame Retardancy of Textiles Based on Phosphorus Chemistry

    Directory of Open Access Journals (Sweden)

    Khalifah A. Salmeia

    2016-08-01

    Full Text Available This paper aims at updating the progress on the phosphorus-based flame retardants specifically designed and developed for fibers and fabrics (particularly referring to cotton, polyester and their blends over the last five years. Indeed, as clearly depicted by Horrocks in a recent review, the world of flame retardants for textiles is still experiencing some changes that are focused on topics like the improvement of its effectiveness and the replacement of toxic chemical products with counterparts that have low environmental impact and, hence, are more sustainable. In this context, phosphorus-based compounds play a key role and may lead, possibly in combination with silicon- or nitrogen-containing structures, to the design of new, efficient flame retardants for fibers and fabrics. Therefore, this review thoroughly describes the advances and the potentialities offered by the phosphorus-based products recently developed at a lab-scale, highlighting the current limitations, open challenges and some perspectives toward their possible exploitation at a larger scale.

  11. A Quantum Chemistry Concept Inventory for Physical Chemistry Classes

    Science.gov (United States)

    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,…

  12. Morphogen Electrochemically Triggered Self-Construction of Polymeric Films Based on Mussel-Inspired Chemistry.

    Science.gov (United States)

    Maerten, Clément; Garnier, Tony; Lupattelli, Paolo; Chau, Nguyet Trang Thanh; Schaaf, Pierre; Jierry, Loïc; Boulmedais, Fouzia

    2015-12-15

    Inspired by the strong chemical adhesion mechanism of mussels, we designed a catechol-based electrochemically triggered self-assembly of films based on ethylene glycol molecules bearing catechol groups on both sides and denoted as bis-catechol molecules. These molecules play the role of morphogens and, in contrast to previously investigated systems, they are also one of the constituents, after reaction, of the film. Unable to interact together, commercially available poly(allylamine hydrochloride) (PAH) chains and bis-catechol molecules are mixed in an aqueous solution and brought in contact with an electrode. By application of defined potential cycles, bis-catechol molecules undergo oxidation leading to molecules bearing "reactive" quinone groups which diffuse toward the solution. In this active state, the quinones react with amino groups of PAH through Michael addition and Schiff's base condensation reaction. The application of cyclic voltammetry (CV) between 0 and 500 mV (vs Ag/AgCl, scan rate of 50 mV/s) of a PAH/bis-catechol solution results in a fast self-construction of a film that reaches a thickness of 40 nm after 60 min. The films present a spiky structure which is attributed to the use of bis-functionalized molecules as one component of the films. XPS measurements show the presence of both PAH and bis-catechol cross-linked together in a covalent way. We show that the amine/catechol ratio is an important parameter which governs the film buildup. For a given amine/catechol ratio, it does exist an optimum CV scan rate leading to a maximum of the film thickness as a function of the scan rate.

  13. Integrated Ecological River Health Assessments, Based on Water Chemistry, Physical Habitat Quality and Biological Integrity

    Directory of Open Access Journals (Sweden)

    Ji Yoon Kim

    2015-11-01

    Full Text Available This study evaluated integrative river ecosystem health using stressor-based models of physical habitat health, chemical water health, and biological health of fish and identified multiple-stressor indicators influencing the ecosystem health. Integrated health responses (IHRs, based on star-plot approach, were calculated from qualitative habitat evaluation index (QHEI, nutrient pollution index (NPI, and index of biological integrity (IBI in four different longitudinal regions (Groups I–IV. For the calculations of IHRs values, multi-metric QHEI, NPI, and IBI models were developed and their criteria for the diagnosis of the health were determined. The longitudinal patterns of the river were analyzed by a self-organizing map (SOM model and the key major stressors in the river were identified by principal component analysis (PCA. Our model scores of integrated health responses (IHRs suggested that mid-stream and downstream regions were impaired, and the key stressors were closely associated with nutrient enrichment (N and P and organic matter pollutions from domestic wastewater disposal plants and urban sewage. This modeling approach of IHRs may be used as an effective tool for evaluations of integrative ecological river health..

  14. A Prebiotic Chemistry Experiment on the Adsorption of Nucleic Acids Bases onto a Natural Zeolite

    Science.gov (United States)

    Anizelli, Pedro R.; Baú, João Paulo T.; Gomes, Frederico P.; da Costa, Antonio Carlos S.; Carneiro, Cristine E. A.; Zaia, Cássia Thaïs B. V.; Zaia, Dimas A. M.

    2015-09-01

    There are currently few mechanisms that can explain how nucleic acid bases were synthesized, concentrated from dilute solutions, and/or protected against degradation by UV radiation or hydrolysis on the prebiotic Earth. A natural zeolite exhibited the potential to adsorb adenine, cytosine, thymine, and uracil over a range of pH, with greater adsorption of adenine and cytosine at acidic pH. Adsorption of all nucleic acid bases was decreased in artificial seawater compared to water, likely due to cation complexation. Furthermore, adsorption of adenine appeared to protect natural zeolite from thermal degradation. The C=O groups from thymine, cytosine and uracil appeared to assist the dissolution of the mineral while the NH2 group from adenine had no effect. As shown by FT-IR spectroscopy, adenine interacted with a natural zeolite through the NH2 group, and cytosine through the C=O group. A pseudo-second-order model best described the kinetics of adenine adsorption, which occurred faster in artificial seawaters.

  15. Contributions of computational chemistry and biophysical techniques to fragment-based drug discovery.

    Science.gov (United States)

    Gozalbes, Rafael; Carbajo, Rodrigo J; Pineda-Lucena, Antonio

    2010-01-01

    In the last decade, fragment-based drug discovery (FBDD) has evolved from a novel approach in the search of new hits to a valuable alternative to the high-throughput screening (HTS) campaigns of many pharmaceutical companies. The increasing relevance of FBDD in the drug discovery universe has been concomitant with an implementation of the biophysical techniques used for the detection of weak inhibitors, e.g. NMR, X-ray crystallography or surface plasmon resonance (SPR). At the same time, computational approaches have also been progressively incorporated into the FBDD process and nowadays several computational tools are available. These stretch from the filtering of huge chemical databases in order to build fragment-focused libraries comprising compounds with adequate physicochemical properties, to more evolved models based on different in silico methods such as docking, pharmacophore modelling, QSAR and virtual screening. In this paper we will review the parallel evolution and complementarities of biophysical techniques and computational methods, providing some representative examples of drug discovery success stories by using FBDD.

  16. Semiconducting single-walled carbon nanotubes sorting with a removable solubilizer based on dynamic supramolecular coordination chemistry

    Science.gov (United States)

    Toshimitsu, Fumiyuki; Nakashima, Naotoshi

    2014-10-01

    Highly pure semiconducting single-walled carbon nanotubes (SWNTs) are essential for the next generation of electronic devices, such as field-effect transistors and photovoltaic applications; however, contamination by metallic SWNTs reduces the efficiency of their associated devices. Here we report a simple and efficient method for the separation of semiconducting- and metallic SWNTs based on supramolecular complex chemistry. We here describe the synthesis of metal-coordination polymers (CP-Ms) composed of a fluorene-bridged bis-phenanthroline ligand and metal ions. On the basis of a difference in the ‘solubility product’ of CP-M-solubilized semiconducting SWNTs and metallic SWNTs, we readily separated semiconducting SWNTs. Furthermore, the CP-M polymers on the SWNTs were simply removed by adding a protic acid and inducing depolymerization to the monomer components. We also describe molecular mechanics calculations to reveal the difference of binding and wrapping mode between CP-M/semiconducting SWNTs and CP-M/metallic SWNTs. This study opens a new stage for the use of such highly pure semiconducting SWNTs in many possible applications.

  17. Clear sky UV simulations for the 21st century based on ozone and temperature projections from Chemistry-Climate Models

    Directory of Open Access Journals (Sweden)

    K. Tourpali

    2009-02-01

    Full Text Available We have estimated changes in surface solar ultraviolet (UV radiation under cloud free conditions in the 21st century based on simulations of 11 coupled Chemistry-Climate Models (CCMs. The total ozone columns and vertical profiles of ozone and temperature projected from CCMs were used as input to a radiative transfer model in order to calculate the corresponding erythemal irradiance levels. Time series of monthly erythemal irradiance received at the surface during local noon are presented for the period 1960 to 2100. Starting from the first decade of the 21st century, the surface erythemal irradiance decreases globally as a result of the projected stratospheric ozone recovery at rates that are larger in the first half of the 21st century and smaller towards its end. This decreasing tendency varies with latitude, being more pronounced over areas where stratospheric ozone has been depleted the most after 1980. Between 2000 and 2100 surface erythemal irradiance is projected to decrease over midlatitudes by 5 to 15%, while at the southern high latitudes the decrease is twice as much. In this study we have not included effects from changes in cloudiness, surface reflectivity and tropospheric aerosol loading, which will likely be affected in the future due to climate change. Consequently, over some areas the actual changes in future UV radiation may be different depending on the evolution of these parameters.

  18. Mechanism of Magnetostructural Transitions in Copper-Nitroxide-Based Switchable Molecular Magnets: Insights from ab Initio Quantum Chemistry Calculations.

    Science.gov (United States)

    Jung, Julie; Guennic, Boris Le; Fedin, Matvey V; Ovcharenko, Victor I; Calzado, Carmen J

    2015-07-20

    The gradual magnetostructural transition in breathing crystals based on copper(II) and pyrazolyl-substituted nitronyl nitroxides has been analyzed by means of DDCI quantum chemistry calculations. The magnetic coupling constants (J) within the spin triads of Cu(hfac)2L(Bu)·0.5C8H18 have been evaluated for the X-ray structures reported at different temperatures. The coupling is strongly antiferromagnetic at low temperature and becomes ferromagnetic when the temperature increases. The intercluster magnetic coupling (J') is antiferromagnetic and shows a marked dependence on temperature. The magnetostructural transition can be reproduced using the calculated J values for each structure in the simulation of the magnetic susceptibility. However, the μ(T) curve can be improved nicely by considering the coexistence of two phases in the transition region, whose ratio varies with temperature corresponding to both the weakly and strongly coupled spin states. These results complement a recent VT-FTIR study on the parent Cu(hfac)2L(Pr) compound with a gradual magnetostructural transition.

  19. Organic chemistry

    International Nuclear Information System (INIS)

    The activities of the mycotoxin research group are discussed. This includes the isolation and structure determination of mycotoxins, plant products, the biosyntheris of mycotoxins, the synthesis and characteristics of steroids, the synthesis and mechanistic aspects of heterocyclic chemistry and the functionality of steroids over long distances. Nmr spectra and mass spectroscopy are some of the techniques used

  20. Reinventing Chemistry

    OpenAIRE

    Whitesides, George McClelland

    2015-01-01

    Chemistry is in a period of change, from an era focused on molecules and reactions, to one in which manipulations of systems of molecules and reactions will be essential parts of controlling larger systems. This Essay traces paths from the past to possible futures.

  1. Yb-based heavy fermion compounds and field tuned quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Mun, Eundeok [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    The motivation of this dissertation was to advance the study of Yb-based heavy fermion (HF) compounds especially ones related to quantum phase transitions. One of the topics of this work was the investigation of the interaction between the Kondo and crystalline electric field (CEF) energy scales in Yb-based HF systems by means of thermoelectric power (TEP) measurements. In these systems, the Kondo interaction and CEF excitations generally give rise to large anomalies such as maxima in ρ(T) and as minima in S(T). The TEP data were use to determine the evolution of Kondo and CEF energy scales upon varying transition metals for YbT2Zn20 (T = Fe, Ru, Os, Ir, Rh, and Co) compounds and applying magnetic fields for YbAgGe and YbPtBi. For YbT2Zn20 and YbPtBi, the Kondo and CEF energy scales could not be well separated in S(T), presumably because of small CEF level splittings. A similar effect was observed for the magnetic contribution to the resistivity. For YbAgGe, S(T) has been successfully applied to determine the Kondo and CEF energy scales due to the clear separation between the ground state and thermally excited CEF states. The Kondo temperature, TK, inferred from the local maximum in S(T), remains finite as magnetic field increases up to 140 kOe. In this dissertation we have examined the heavy quasi-particle behavior, found near the field tuned AFM quantum critical point (QCP), with YbAgGe and YbPtBi. Although the observed nFL behaviors in the vicinity of the QCP are different between YbAgGe and YbPtBi, the constructed H-T phase diagram including the two crossovers are similar. For both YbAgGe and YbPtBi, the details of the quantum criticality turn out to be complicated. We expect that YbPtBi will provide an additional example of field tuned quantum criticality, but clearly there are further experimental investigations left and more ideas needed to understand the basic physics of field-induced quantum

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

    Science.gov (United States)

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

    2014-09-01

    Two-dimensional nanomaterials have potential as a new class of antioxidants that combine physical barrier function with ultrahigh surface area for free radical scavenging. This work presents the first measurements of the chemical reactivities of graphene-based materials toward a set of model free radicals and reactive oxygen species using electron paramagnetic resonance spectroscopy (EPR) and sacrificial dye protection assays. Graphene-based materials are shown to protect a variety of molecular targets from oxidation by these species, and to be highly effective as hydroxyl-radical scavengers. When the hydroxyl radical is produced photolytically, the overall antioxidant effect is a combination of preventative antioxidant activity (UV absorption) and &z.rad;OH radical scavenging. Few-layer graphene is more active than monolayer graphene oxide, despite its lower surface area, which indicates that the primary scavenging sites are associated with the sp2-carbon network rather than oxygen-containing functional groups. To explain this trend, we propose that GO is a weak hydrogen donor, due to the non-phenolic nature of most OH groups on GO, which reside at basal sp3-carbon sites that do not allow for radical resonance stabilization following hydrogen donation. As an example application of graphene antioxidant behavior, we show that encapsulation of TiO2 nanoparticles in graphene nanosacks reduces undesired photo-oxidative damage to nearby organic target molecules, which suggests graphene encapsulation as a new approach to managing adverse environmental or health impacts of redox-active nanomaterials.Two-dimensional nanomaterials have potential as a new class of antioxidants that combine physical barrier function with ultrahigh surface area for free radical scavenging. This work presents the first measurements of the chemical reactivities of graphene-based materials toward a set of model free radicals and reactive oxygen species using electron paramagnetic resonance

  3. The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride.

    Science.gov (United States)

    Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin

    2013-12-15

    Two novel symmetric fluorene-based ligands, namely, 2,7-bis(1H-imidazol-1-yl)-9,9-dimethyl-9H-fluorene [L1 or (I), C21H18N4] and 2,7-bis(1H-imidazol-1-yl)-9,9-dipropyl-9H-fluorene (L2), have been used to construct the coordination polymers catena-poly[[dichloridodicopper(I)(Cu-Cu)]-μ-2,7-bis(1H-imidazol-1-yl)-9,9-dimethyl-9H-fluorene], [Cu2Cl2(C21H18N4)]n, (II), and catena-poly[[tetra-μ2-chlorido-tetracopper(I)]-bis[μ-2,7-bis(1H-imidazol-1-yl)-9,9-dipropyl-9H-fluorene

  4. Current developments of coumarin-based anti-cancer agents in medicinal chemistry.

    Science.gov (United States)

    Emami, Saeed; Dadashpour, Sakineh

    2015-09-18

    Cancer is one of the leading health hazards and the prominent cause of death in the world. A number of anticancer agents are currently in clinical practice and used for treatment of various kinds of cancers. There is no doubt that the existing arsenal of anticancer agents is insufficient due to the high incidence of side effects and multidrug resistance. In the efforts to develop suitable anticancer drugs, medicinal chemists have focused on coumarin derivatives. Coumarin is a naturally occurring compound and a versatile synthetic scaffold possessing wide spectrum of biological effects including potential anticancer activity. This review article covers the current developments of coumarin-based anticancer agents and also discusses the structure-activity relationship of the most potent compounds. PMID:26318068

  5. Current developments of coumarin-based anti-cancer agents in medicinal chemistry.

    Science.gov (United States)

    Emami, Saeed; Dadashpour, Sakineh

    2015-09-18

    Cancer is one of the leading health hazards and the prominent cause of death in the world. A number of anticancer agents are currently in clinical practice and used for treatment of various kinds of cancers. There is no doubt that the existing arsenal of anticancer agents is insufficient due to the high incidence of side effects and multidrug resistance. In the efforts to develop suitable anticancer drugs, medicinal chemists have focused on coumarin derivatives. Coumarin is a naturally occurring compound and a versatile synthetic scaffold possessing wide spectrum of biological effects including potential anticancer activity. This review article covers the current developments of coumarin-based anticancer agents and also discusses the structure-activity relationship of the most potent compounds.

  6. [Photonic crystals for analytical chemistry].

    Science.gov (United States)

    Chen, Yi; Li, Jincheng

    2009-09-01

    Photonic crystals, originally created to control the transmission of light, have found their increasing value in the field of analytical chemistry and are probable to become a hot research area soon. This review is hence composed, focusing on their analytical chemistry-oriented applications, including especially their use in chromatography, capillary- and chip-based electrophoresis.

  7. Introducing Relativity into Quantum Chemistry

    Science.gov (United States)

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

    2011-01-01

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

  8. tRNA acceptor-stem and anticodon bases embed separate features of amino acid chemistry.

    Science.gov (United States)

    Carter, Charles W; Wolfenden, Richard

    2016-01-01

    The universal genetic code is a translation table by which nucleic acid sequences can be interpreted as polypeptides with a wide range of biological functions. That information is used by aminoacyl-tRNA synthetases to translate the code. Moreover, amino acid properties dictate protein folding. We recently reported that digital correlation techniques could identify patterns in tRNA identity elements that govern recognition by synthetases. Our analysis, and the functionality of truncated synthetases that cannot recognize the tRNA anticodon, support the conclusion that the tRNA acceptor stem houses an independent code for the same 20 amino acids that likely functioned earlier in the emergence of genetics. The acceptor-stem code, related to amino acid size, is distinct from a code in the anticodon that is related to amino acid polarity. Details of the acceptor-stem code suggest that it was useful in preserving key properties of stereochemically-encoded peptides that had developed the capacity to interact catalytically with RNA. The quantitative embedding of the chemical properties of amino acids into tRNA bases has implications for the origins of molecular biology.

  9. Dynamic Covalent Chemistry-based Sensing: Pyrenyl Derivatives of Phenylboronic Acid for Saccharide and Formaldehyde

    Science.gov (United States)

    Chang, Xingmao; Fan, Jiayun; Wang, Min; Wang, Zhaolong; Peng, Haonan; He, Gang; Fang, Yu

    2016-01-01

    We synthesized two specially designed pyrenyl (Py) derivatives of phenylboronic acid, PSNB1 and PSNB2, of which PSNB2 self-assemble to form dynamic aggregate in methanol-water mixture (1:99, v/v) via intermolecular H-bonding and pi-pi stacking. Interestingly, the dynamic aggregate shows smart response to presence of fructose (F) as evidenced by fluorescence color change from green to blue. More interestingly, the fluorescence emission of the resulted PSNB2-F changes from blue to green with the addition of formaldehyde (FA). The reason behind is formation of a PSNB2-F dimer via FA cross-linking. Based upon the reactions as found, sensitive and fast sensing of F and FA in water was realized, of which the experimental DLs could be significantly lower than 10 μM for both analytes, and the response times are less than 1 min. It is believed that not only the materials as created may have the potential to find real-life applications but also the strategy as developed can be adopted to develop other dynamic materials. PMID:27498703

  10. Dynamic Covalent Chemistry-based Sensing: Pyrenyl Derivatives of Phenylboronic Acid for Saccharide and Formaldehyde

    Science.gov (United States)

    Chang, Xingmao; Fan, Jiayun; Wang, Min; Wang, Zhaolong; Peng, Haonan; He, Gang; Fang, Yu

    2016-08-01

    We synthesized two specially designed pyrenyl (Py) derivatives of phenylboronic acid, PSNB1 and PSNB2, of which PSNB2 self-assemble to form dynamic aggregate in methanol-water mixture (1:99, v/v) via intermolecular H-bonding and pi-pi stacking. Interestingly, the dynamic aggregate shows smart response to presence of fructose (F) as evidenced by fluorescence color change from green to blue. More interestingly, the fluorescence emission of the resulted PSNB2-F changes from blue to green with the addition of formaldehyde (FA). The reason behind is formation of a PSNB2-F dimer via FA cross-linking. Based upon the reactions as found, sensitive and fast sensing of F and FA in water was realized, of which the experimental DLs could be significantly lower than 10 μM for both analytes, and the response times are less than 1 min. It is believed that not only the materials as created may have the potential to find real-life applications but also the strategy as developed can be adopted to develop other dynamic materials.

  11. A Radiation Chemistry Code Based on the Green's Function of the Diffusion Equation

    Science.gov (United States)

    Plante, Ianik; Wu, Honglu

    2014-01-01

    Stochastic radiation track structure codes are of great interest for space radiation studies and hadron therapy in medicine. These codes are used for a many purposes, notably for microdosimetry and DNA damage studies. In the last two decades, they were also used with the Independent Reaction Times (IRT) method in the simulation of chemical reactions, to calculate the yield of various radiolytic species produced during the radiolysis of water and in chemical dosimeters. Recently, we have developed a Green's function based code to simulate reversible chemical reactions with an intermediate state, which yielded results in excellent agreement with those obtained by using the IRT method. This code was also used to simulate and the interaction of particles with membrane receptors. We are in the process of including this program for use with the Monte-Carlo track structure code Relativistic Ion Tracks (RITRACKS). This recent addition should greatly expand the capabilities of RITRACKS, notably to simulate DNA damage by both the direct and indirect effect.

  12. Computational Chemistry-Based Identification of Ultra-Low Temperature Water-Gas-Shift Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Manos Mavrikakis

    2008-08-31

    The current work seeks to identify novel, catalytically-active, stable, poison-resistant LWGS catalysts that retain the superior activity typical of conventional Cu catalysts but can be operated at similar or lower temperatures. A database for the Binding Energies (BEs) of the LWGS relevant species, namely CO, O and OH on the most-stable, close-packed facets of a set of 17 catalytically relevant transition metals was established. This BE data and a database of previously established segregation energies was utilized to predict the stability of bimetallic NSAs that could be synthesized by combinations of the 17 parent transition metals. NSAs that were potentially stable both in vacuo and under the influence of strong-binding WGS intermediates were then selected for adsorption studies. A set of 40 NSAs were identified that satisfied all three screener criteria and the binding energies of CO, O and OH were calculated on a set of 66, 43 and 79 NSA candidates respectively. Several NSAs were found that bound intermediates weaker than the monometallic catalysts and were thus potentially poison-resistant. Finally, kinetic studies were performed and resulted in the discovery of a specific NSA-based bimetallic catalyst Cu/Pt that is potentially a promising LWGS catalyst. This stable Cu/Pt subsurface alloy is expected to provide facile H{sub 2}O activation and remain relatively resistant from the poisoning by CO, S and formate intermediates.

  13. Construction of a SORCE-based Solar Spectral Irradiance (SSI) Record for Input into Chemistry Climate Models

    Science.gov (United States)

    Harder, J. W.; Fontenla, J. M.

    2015-12-01

    We present a research program to produce a solar spectral irradiance (SSI) record suitable for whole atmosphere chemistry-climate model (CCM) transient studies over the 2001-2015 time period for Solar Cycle 23 and 24 (SC23-24). Climate simulations during this time period are particularly valuable because SC23-24 represents the best-observed solar cycle in history - both from the perspective of solar physics and in terms of Earth observation systems. This record will be based predominantly on the observed irradiance of the SORCE mission as measured by the SIM and SOLSTICE instruments from April of 2003 to the present time. The SSI data record for this proposed study requires very broad wavelength coverage (115-100000 nm), daily spectral coverage, compliance of the integrated SSI record with the TSI, and well-defined and documented uncertainty estimates. While the majority of the record will be derived from SORCE observations, extensions back to the SC23 maximum time period (early 2001) and closure of critical gaps in the SORCE record will be generated employing the Fontenla et al. (2015) Solar Radiation Physical Model (SRPMv2). Since SRPM is a physics-based model, estimates of the SSI for wavelengths outside the SORCE measurement range can be meaningfully included. This model now includes non-LTE contributions from metals in the atomic number range 22-28 (i.e. titanium through nickel) as well as important molecular photo-disassociation contributions from molecules such as NH, molecular hydrogen, CH, and OH led have led to greatly improved agreement between the model and the observed 0.1 nm SOLSTICE spectrum. Thus comparative studies of the SORCE observations with SRPMv2 provide meaningful insight into the nature of solar variability critical for subsequent Earth atmospheric modeling efforts.

  14. Application of a G-equation based combustion model and detailed chemistry to prediction of autoignition in a gasoline direct injection engine

    Energy Technology Data Exchange (ETDEWEB)

    Juneja, Harmit [Wisconsin Engine Research Consultants (WERC), Madison, WI (United States); Sczomak, David P. [General Motors Powertrain Advanced Engineering, Pontiac, MI (United States); Ge, Hai-Wen; Yang, Shiyou [Wisconsin Univ., Madison (United States); Reitz, Rolf D. [Wisconsin Univ., Madison (United States). Dept. of Mechanical Engineering

    2010-07-01

    Autoignition in an experimental single cylinder homogeneous gasoline direct injection engine was modeled using a level set method (G-equation) based combustion model incorporating detailed chemical kinetics. Several improvements have been made to the combustion model recently and implemented in the KIVA-3V code. These improvements include a transport equation residual model, the modeling of flame front quenching in highly stratified mixtures, and a recently developed primary reference fuel (PRF) chemistry mechanism. An adaptive multi grid chemistry (AMC) model was also implemented to speed-up the chemistry calculation. The integrated model was used to simulate the combustion process including the prediction of autoignition in a gasoline direct-injection engine. Experimental data in the form of a spark timing sweep covering a highly knocking to a non-knocking operating condition was used to validate the combustion modeling approach. The improved G-equation model combined with detailed chemistry matches the experimental data very well and does an excellent job at predicting the onset, location, and intensity of knock as a function of spark timing. (orig.)

  15. Progress in physical chemistry

    CERN Document Server

    Hempelmann, Rolf

    2008-01-01

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

  16. Cloud chemistry on Jupiter

    OpenAIRE

    Carlson, B. E.; Prather, M. J.; W. B. Rossow

    1987-01-01

    Aqueous chemistry on Uranus affects the atmospheric abundances of NH3 and H2S below the methane cloud base. Here a complete thermochemical equilibrium model for the H2O-NH3-H2S system is presented. Inclusion of H2S increases the aqueous removal of NH3 to 20-30 percent, but aqueous chemistry alone cannot account for the depletion of NH3 in the 150-200-K region of the atmosphere required to fit microwave observations. Formation of NH4SH clouds can account for the observed depletion provided the...

  17. Chemistry Education and Mythology

    Directory of Open Access Journals (Sweden)

    Sule Aycan

    2005-01-01

    Full Text Available This study aimed to investigate the effect of mythological story in teaching chemistry. To this end the students in the class were divided into two homogenous groups. While the first group was thought in a traditional way, using a mythological story thought the second group. The story used was based on a Mountain just opposite the faculty.

  18. Chemistry Education and Mythology

    OpenAIRE

    Sule Aycan

    2005-01-01

    This study aimed to investigate the effect of mythological story in teaching chemistry. To this end the students in the class were divided into two homogenous groups. While the first group was thought in a traditional way, using a mythological story thought the second group. The story used was based on a Mountain just opposite the faculty.

  19. A new green chemistry method based on plant extracts to synthesize gold nanoparticles

    Science.gov (United States)

    Montes Castillo, Milka Odemariz

    Extraordinary chemical and physical properties exhibited by nanomaterials, as compared to their bulk counterparts, have made the area of nanotechnology a growing realm in the past three decades. It is the nanoscale size (from 1 to 100 nm) and the morphologies of nanomaterials that provide several properties and applications not possible for the same material in the bulk. Magnetic and optical properties, as well as surface reactivity are highly dependent on the size and morphology of the nanomaterial. Diverse nanomaterials are being widely used in molecular diagnostics as well as in medicine, electronic and optical devices. Among the most studied nanomaterials, gold nanoparticles are of special interest due to their multifunctional capabilities. For instance, spherical gold nanoparticles measuring 15-20 nm in diameter have been studied due to their insulin binding properties. Also, thiol functionalized gold nanoparticles between 5 and 30 nm are used in the detection of DNA. Thus, harnessing the shape and size of gold nanoparticles plays an important role in science and technology. The synthesis of gold nanoparticles via the reduction of gold salts, using citrate or other reducing agents, has been widely studied. In recent years, algae, fungi, bacteria, and living plants have been used to reduce trivalent gold (Au3+) to its zero oxidation state (Au 0) forming gold nanoparticles of different sizes and shapes. In addition, plant biomasses have also been studied for their gold-reducing power and nanoparticle formation. Although there is information about the synthesis of the gold nanoparticles by biologically based materials; to our knowledge, the study of the use of alfalfa extracts has not been reported. This innovation represents a significant improvement; that is an environmentally friendly method that does not use toxic chemicals. Also, the problem of extracting the formed gold nanoparticles from biomaterials is addressed in this research but still remains to be

  20. Assessing Changes in High School Students' Conceptual Understanding through Concept Maps before and after the Computer-Based Predict-Observe-Explain (CB-POE) Tasks on Acid-Base Chemistry at the Secondary Level

    Science.gov (United States)

    Yaman, Fatma; Ayas, Alipasa

    2015-01-01

    Although concept maps have been used as alternative assessment methods in education, there has been an ongoing debate on how to evaluate students' concept maps. This study discusses how to evaluate students' concept maps as an assessment tool before and after 15 computer-based Predict-Observe-Explain (CB-POE) tasks related to acid-base chemistry.…

  1. Chemistry of plutonium revealed

    International Nuclear Information System (INIS)

    In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. In this paper the work carried out at Berkeley from the spring of 1942 to the summer of 1945 is described briefly. The aqueous chemistry of plutonium is quite remarkable. Important insights were obtained from tracer experiments, but the full complexity was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were based on aqueous solutions, such solution chemistry was emphasized, particularly precipitation and oxidation-reduction behavior. The latter turned out to be unusually intricate when it was discovered that two more oxidation states existed in aqueous solution than had previously been suspected. Further, an equilibrium was rapidly established among the four aqueous oxidation states, while at the same time any three were not in equilibrium. These and other observations made while doing a crash study of a previously unknown element are reported

  2. Organometallic chemistry

    OpenAIRE

    Bashkin, James K.; M.L.H. Green; Dr. M. L. H. Green

    1982-01-01

    Transition metal organometallic chemistry is a rapidly expanding field, which has an important relationship to industrial problems of petrochemical catalysis. This thesis describes studies of fundamental organometallic reaction processes, such as C-H and C-C bond formation and cleavage, and investigations of the structure and bonding of organometallic compounds. A number of techniques were used to pursue these studies, including synthesis, X-ray crystallography, and semi-em...

  3. Disk Chemistry*

    OpenAIRE

    Thi Wing-Fai

    2015-01-01

    The chemical species in protoplanetary disks react with each other. The chemical species control part of the thermal balance in those disks. How the chemistry proceeds in the varied conditions encountered in disks relies on detailed microscopic understanding of the reactions through experiments or theoretical studies. This chapter strives to summarize and explain in simple terms the different types of chemical reactions that can lead to complex species. The first part of the chapter deals wit...

  4. Interstellar chemistry

    OpenAIRE

    Klemperer, William

    2006-01-01

    In the past half century, radioastronomy has changed our perception and understanding of the universe. In this issue of PNAS, the molecular chemistry directly observed within the galaxy is discussed. For the most part, the description of the molecular transformations requires specific kinetic schemes rather than chemical thermodynamics. Ionization of the very abundant molecular hydrogen and atomic helium followed by their secondary reactions is discussed. The rich variety of organic species o...

  5. Computational chemistry

    Science.gov (United States)

    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.

  6. The impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere – Part 2: Stratospheric ozone

    OpenAIRE

    A. A. Rockett; Dubey, M.K.; Wuebbles, D. J.; S. C. Olsen; W. Jia; Wang, D.

    2012-01-01

    The prospective future adoption of hydrogen to power the road transportation sector could greatly improve tropospheric air quality but also raises the question whether the adoption would have adverse effects on stratospheric ozone. The possibility of these undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050) H2-based road transportation sector on stratospheric composition and chemistry, especially on stratospheri...

  7. Carbon Flux Estimation By Using AGCM-Based Chemistry Transport Model for the Period 1990-2011

    Science.gov (United States)

    Saeki, T.; Patra, P. K.

    2014-12-01

    Carbon fluxes were estimated for 84 regions (54 lands + 30 oceans) over the globe during the period of 1990-2011. We used (1) the CCSR/NIES/FRCGC AGCM-based Chemistry Transport Model (ACTM), (2) atmospheric CO2 concentrations at 74 sites from GLOBALVIEW-CO2 (2013) data product, (3) Seasonally varying a presubtracted fluxes for atmosphere-ocean exchange (Takahashi et al., 2009), (4) interannually varying a priori fossil fuel fluxes (incl. cement production) from CDIAC global totals and EDGAR4.2 spatial distributions, and (5) 3-hourly terrestrial biosphere fluxes are constructed from the annually balanced CASA and JRA-25 reanalysis meteorology (Y. Niwa, Pers. Comm., 2013). As a result of time-dependent inversions, mean total flux (excluding fossil fuel) for the period 1990-2011 is estimated to be -3.33 GtC/yr, where land (incl. biomass burning and land use change) and ocean absorb an average rate of -1.98 and -1.35 GtC/yr, respectively. The land uptake is mainly due to northern land (-1.57 GtC/yr), while the tropical and southern lands contribute -0.03 and -0.38 GtC/yr, respectively. It is also found that Boreal North America and Boreal Eurasia show negative trends in the estimated fluxes during the analysis period. The global ocean sink has no clear long-term trend in the period. Results with different inversion settings and for other regions will be discussed. Our analysis suggests that no known transport bias in ACTM forward simulation allow us to estimate CO2 fluxes at good accuracy at hemispheric and regional scale. Acknowledgements. This study is supported by the JSPS KANEHI Kiban-A and Global Environment Research Fund (2-1401) of the Ministry of the Environment, Japan.

  8. Polymorphic phase transition among the titania crystal structures using a solution-based approach: from precursor chemistry to nucleation process

    Science.gov (United States)

    Kumar, S. Girish; Rao, K. S. R. Koteswara

    2014-09-01

    Nanocrystalline titania are a robust candidate for various functional applications owing to its non-toxicity, cheap availability, ease of preparation and exceptional photochemical as well as thermal stability. The uniqueness in each lattice structure of titania leads to multifaceted physico-chemical and opto-electronic properties, which yield different functionalities and thus influence their performances in various green energy applications. The high temperature treatment for crystallizing titania triggers inevitable particle growth and the destruction of delicate nanostructural features. Thus, the preparation of crystalline titania with tunable phase/particle size/morphology at low to moderate temperatures using a solution-based approach has paved the way for further exciting areas of research. In this focused review, titania synthesis from hydrothermal/solvothermal method, conventional sol-gel method and sol-gel-assisted method via ultrasonication, photoillumination and ILs, thermolysis and microemulsion routes are discussed. These wet chemical methods have broader visibility, since multiple reaction parameters, such as precursor chemistry, surfactants, chelating agents, solvents, mineralizer, pH of the solution, aging time, reaction temperature/time, inorganic electrolytes, can be easily manipulated to tune the final physical structure. This review sheds light on the stabilization/phase transformation pathways of titania polymorphs like anatase, rutile, brookite and TiO2(B) under a variety of reaction conditions. The driving force for crystallization arising from complex species in solution coupled with pH of the solution and ion species facilitating the orientation of octahedral resulting in a crystalline phase are reviewed in detail. In addition to titanium halide/alkoxide, the nucleation of titania from other precursors like peroxo and layered titanates are also discussed. The non-aqueous route and ball milling-induced titania transformation is briefly

  9. Smart, Sustainable, and Ecofriendly Chemical Design of Fully Bio-Based Thermally Stable Thermosets Based on Benzoxazine Chemistry.

    Science.gov (United States)

    Froimowicz, Pablo; R Arza, Carlos; Han, Lu; Ishida, Hatsuo

    2016-08-01

    A smart synthetic chemical design incorporating furfurylamine, a natural renewable amine, into a partially bio-based coumarin-containing benzoxazine is presented. The versatility of the synthetic approach is shown to be flexible and robust enough to be successful under more ecofriendly reaction conditions by replacing toluene with ethanol as the reaction solvent and even under solventless conditions. The chemical structure of this coumarin-furfurylamine-containing benzoxazine is characterized by FTIR, (1) H NMR spectroscopy and two-dimensional (1) H-(1) H nuclear Overhauser effect spectroscopy (2D (1) H-(1) H NOESY). The thermal properties of the resin toward polymerization are characterized by differential scanning calorimetry (DSC) and the thermal stability of the resulting polymers by thermogravimetric analysis (TGA). The results reveal that the furanic moiety induces a co-operative activating effect, thus lowering the polymerization temperature and also contributes to a better thermal stability of the resulting polymers. These results, in addition to those of natural renewable benzoxazine resins reviewed herein, highlight the positive and beneficial implication of designing novel bio-based polybenzoxazine and possibly other thermosets with desirable and competitive properties.

  10. Strong Relationships in Acid-Base Chemistry – Modeling Protons Based on Predictable Concentrations of Strong Ions, Total Weak Acid Concentrations, and pCO2

    Science.gov (United States)

    Kellum, John A.

    2016-01-01

    Understanding acid-base regulation is often reduced to pigeonholing clinical states into categories of disorders based on arterial blood sampling. An earlier ambition to quantitatively explain disorders by measuring production and elimination of acid has not become standard clinical practice. Seeking back to classical physical chemistry we propose that in any compartment, the requirement of electroneutrality leads to a strong relationship between charged moieties. This relationship is derived in the form of a general equation stating charge balance, making it possible to calculate [H+] and pH based on all other charged moieties. Therefore, to validate this construct we investigated a large number of blood samples from intensive care patients, where both data and pathology is plentiful, by comparing the measured pH to the modeled pH. We were able to predict both the mean pattern and the individual fluctuation in pH based on all other measured charges with a correlation of approximately 90% in individual patient series. However, there was a shift in pH so that fitted pH in general is overestimated (95% confidence interval -0.072–0.210) and we examine some explanations for this shift. Having confirmed the relationship between charged species we then examine some of the classical and recent literature concerning the importance of charge balance. We conclude that focusing on the charges which are predictable such as strong ions and total concentrations of weak acids leads to new insights with important implications for medicine and physiology. Importantly this construct should pave the way for quantitative acid-base models looking into the underlying mechanisms of disorders rather than just classifying them. PMID:27631369

  11. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry

    1978-01-01

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

  12. Puzzling through General Chemistry: A Light-Hearted Approach to Engaging Students with Chemistry Content

    Science.gov (United States)

    Boyd, Susan L.

    2007-01-01

    Several puzzles are designed to be used by chemistry students as learning tools and teach them basic chemical concepts. The topics of the puzzles are based on the chapters from Chemistry, The Central Science used in general chemistry course and the puzzles are in various forms like crosswords, word searches, number searches, puzzles based on…

  13. The Use of Modular Computer-Based Lessons in a Modification of the Classical Introductory Course in Organic Chemistry.

    Science.gov (United States)

    Stotter, Philip L.; Culp, George H.

    An experimental course in organic chemistry utilized computer-assisted instructional (CAI) techniques. The CAI lessons provided tutorial drill and practice and simulated experiments and reactions. The Conversational Language for Instruction and Computing was used, along with a CDC 6400-6600 system; students scheduled and completed the lessons at…

  14. Building an Understanding of How Model-Based Inquiry Is Implemented in the High School Chemistry Classroom

    Science.gov (United States)

    Dass, Katarina; Head, Michelle L.; Rushton, Gregory T.

    2015-01-01

    Modeling as a scientific practice in K-12 classrooms has received a wealth of attention in the U.S. and abroad due to the advent of revised national science education standards. The study described herein investigated how a group of high school chemistry teachers developed their understanding of the nature and function of models in the precollege…

  15. Mechanisms before Reactions: A Mechanistic Approach to the Organic Chemistry Curriculum Based on Patterns of Electron Flow

    Science.gov (United States)

    Flynn, Alison B.; Ogilvie, William W.

    2015-01-01

    A significant redesign of the introductory organic chemistry curriculum at the authors' institution is described. There are two aspects that differ greatly from a typical functional group approach. First, organic reaction mechanisms and the electron-pushing formalism are taught before students have learned a single reaction. The conservation of…

  16. Surface chemistry

    CERN Document Server

    Desai, KR

    2008-01-01

    The surface Chemistry of a material as a whole is crucially dependent upon the Nature and type of surfaces exposed on crystallites. It is therefore vitally important to independently Study different, well - defined surfaces through surface analytical techniques. In addition to composition and structure of surface, the subject also provides information on dynamic light scattering, micro emulsions, colloid Stability control and nanostructures. The present book endeavour to bring before the reader that the understanding and exploitation of Solid state phenomena depended largely on the ability to

  17. Revitalizing chemistry laboratory instruction

    Science.gov (United States)

    McBride, Phil Blake

    This dissertation involves research in three major domains of chemical education as partial fulfillment of the requirements for the Ph.D. program in chemistry at Miami University with a major emphasis on chemical education, and concurrent study in organic chemistry. Unit I, Development and Assessment of a Column Chromatography Laboratory Activity, addresses the domain of Instructional Materials Development and Testing. This unit outlines the process of developing a publishable laboratory activity, testing and revising that activity, and subsequently sharing that activity with the chemical education community. A laboratory activity focusing on the separation of methylene blue and sodium fluorescein was developed to demonstrate the effects of both the stationary and mobile phase in conducting a separation. Unit II, Bringing Industry to the Laboratory, addresses the domain of Curriculum Development and Testing. This unit outlines the development of the Chemistry of Copper Mining module, which is intended for use in high school or undergraduate college chemistry. The module uses the learning cycle approach to present the chemistry of the industrial processes of mining copper to the students. The module includes thirteen investigations (three of which are web-based and ten which are laboratory experiments) and an accompanying interactive CD-ROM, which provides an explanation of the chemistry used in copper mining with a virtual tour of an operational copper mine. Unit III, An Alternative Method of Teaching Chemistry. Integrating Lecture and the Laboratory, is a project that addresses the domain of Research in Student Learning. Fundamental Chemistry was taught at Eastern Arizona College as an integrated lecture/laboratory course that met in two-hour blocks on Monday, Wednesday, and Friday. The students taking this integrated course were compared with students taking the traditional 1-hour lectures held on Monday, Wednesday, and Friday, with accompanying 3-hour lab on

  18. Research-Based Development of a Lesson Plan on Shower Gels and Musk Fragrances Following a Socio-Critical and Problem-Oriented Approach to Chemistry Teaching

    Science.gov (United States)

    Marks, Ralf; Eilks, Ingo

    2010-01-01

    A case is described of the development of a lesson plan for 10th grade (age range 15-16) chemistry classes on the chemistry of shower gels. The lesson plan follows a socio-critical and problem-oriented approach to chemistry teaching. This means that, aside from learning about the basic chemistry of the components making up modern shower gels in…

  19. The impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere – Part 1: Tropospheric composition and air quality

    Directory of Open Access Journals (Sweden)

    A. A. Rockett

    2012-08-01

    Full Text Available Vehicles burning fossil fuel emit a number of substances that change the composition and chemistry of the atmosphere, and contribute to global air and water pollution and climate change. For example, nitrogen oxides and volatile organic compounds (VOCs emitted as byproducts of fossil fuel combustion are key precursors to ground-level ozone and aerosol formation. In addition, on-road vehicles are major CO2 emitters. In order to tackle these problems, molecular hydrogen (H2 has been proposed as an energy carrier to substitute for fossil fuel in the future. However, before implementing any such strategy it is crucial to evaluate its potential impacts on air quality and climate. Here we evaluate the impact of a future (2050 H2-based road transportation sector on tropospheric chemistry and air quality for several possible growth and technology adoption scenarios. The growth scenarios are based on the high and low emissions Intergovernmental Panel on Climate Change Special Report on Emissions Scenarios, A1FI and B1, respectively. The technological adoption scenarios include H2 fuel cell and H2 internal combustion engine options. The impacts are evaluated with the Community Atmospheric Model Chemistry global chemistry transport model (CAM-Chem. Higher resolution simulations focusing on the contiguous United States are also carried out with the Community Multiscale Air Quality Modeling System (CMAQ regional chemistry transport model. For all scenarios future air quality improves with the adoption of a H2-based road transportation sector, however, the magnitude and type of improvement depend on the scenario. Model results show that with the adoption of H2 fuel cells decreases tropospheric burdens of ozone (7%, CO (14%, NOx (16%, soot (17%, sulfate aerosol (4%, and ammonium nitrate aerosol (12% in the A1FI scenario, and decreases those of ozone (5%, CO (4%, NOx (11%, soot (7%, sulfate aerosol (4%, and ammonium nitrate aerosol (9 % in the B1 scenario. The

  20. Impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere – Part 1: Tropospheric composition and air quality

    Directory of Open Access Journals (Sweden)

    D. Wang

    2013-07-01

    Full Text Available Vehicles burning fossil fuel emit a number of substances that change the composition and chemistry of the atmosphere, and contribute to global air and water pollution and climate change. For example, nitrogen oxides and volatile organic compounds (VOCs emitted as byproducts of fossil fuel combustion are key precursors to ground-level ozone and aerosol formation. In addition, on-road vehicles are major CO2 emitters. In order to tackle these problems, molecular hydrogen (H2 has been proposed as an energy carrier to substitute for fossil fuels in the future. However, before implementing any such strategy it is crucial to evaluate its potential impacts on air quality and climate. Here, we evaluate the impact of a future (2050 H2-based road transportation sector on tropospheric chemistry and air quality for several possible growth and technology adoption scenarios. The growth scenarios are based on the high and low emissions Intergovernmental Panel on Climate Change Special Report on Emissions Scenarios, A1FI and B1, respectively. The technological adoption scenarios include H2 fuel cell and H2 internal combustion engine options. The impacts are evaluated with the Community Atmospheric Model Chemistry global chemistry transport model (CAM-Chem. Higher resolution simulations focusing on the contiguous United States are also carried out with the Community Multiscale Air Quality Modeling System (CMAQ regional chemistry transport model. For all scenarios future air quality improves with the adoption of a H2-based road transportation sector; however, the magnitude and type of improvement depend on the scenario. Model results show that the adoption of H2 fuel cells would decrease tropospheric burdens of ozone (7%, CO (14%, NOx (16%, soot (17%, sulfate aerosol (4%, and ammonium nitrate aerosol (12% in the A1FI scenario, and would decrease those of ozone (5%, CO (4%, NOx (11%, soot (7%, sulfate aerosol (4%, and ammonium nitrate aerosol (9% in the B1 scenario

  1. Conjugation chemistry through acetals toward a dextran-based delivery system for controlled release of siRNA

    KAUST Repository

    Cui, Lina

    2012-09-26

    New conjugation chemistry for polysaccharides, exemplified by dextran, was developed to enable the attachment of therapeutic or other functional moieties to the polysaccharide through cleavable acetal linkages. The acid-lability of the acetal groups allows the release of therapeutics under acidic conditions, such as that of the endocytic compartments of cells, regenerating the original free polysaccharide in the end. The physical and chemical behavior of these acetal groups can be adjusted by modifying their stereoelectronic and steric properties, thereby providing materials with tunable degradation and release rates. We have applied this conjugation chemistry in the development of water-soluble siRNA carriers, namely acetal-linked amino-dextrans, with various amine structures attached through either slow- or fast-degrading acetal linker. The carriers with the best combination of amine moieties and structural composition of acetals showed high in vitro transfection efficiency and low cytotoxicity in the delivery of siRNA. © 2012 American Chemical Society.

  2. Design, Synthesis and Characterization of Polyethylene-Based Macromolecular Architectures by Combining Polyhomologation with Powerful Linking Chemistry

    KAUST Repository

    Alkayal, Nazeeha

    2016-09-05

    Polyhomologation is a powerful method to prepare polyethylene-based materials with controlled molecular weight, topology and composition. This dissertation focuses on the discovery of new synthetic routes to prepare polyethylene-based macromolecular architectures by combining polyhomologation with highly orthogonal and efficient linking reactions such as Diels Alder, copper-catalyzed azide-alkyne cycloaddition (CuAAC), and Glaser. Taking advantage of functionalized polyhomologation initiators, as well as of the efficient coupling chemistry, we were able to synthesize various types of polymethylene (polyethylene)-based materials with complex architectures including linear co/terpolymers, graft terpolymers, and tadpole copolymers. In the first project, a facile synthetic route towards well-defined polymethylene-based co/terpolymers, by combining the anthracene/maleimide Diels–Alder reaction with polyhomologation, is presented. For the synthesis of diblock copolymers the following approach was applied: (a) synthesis of α-anthracene-ω-hydroxy-polymethylene by polyhomologation using tri (9 anthracene-methyl propyl ether) borane as the initiator, (b) synthesis of furan-protected-maleimide-terminated poly(ε-caprolactone) or polyethylene glycol and (c) Diels–Alder reaction between anthracene and maleimide-terminated polymers. In the case of triblock terpolymers, the α-anthracene-ω-hydroxy polymethylene was used as a macroinitiator for the ring-opening polymerization of D, L-lactide to afford an anthracene-terminated PM-b-PLA copolymer, followed by the Diels–Alder reaction with furan-protected maleimide-terminated poly (ε-caprolactone) or polyethylene glycol to give the triblock terpolymers. The synthetic methodology is general and potentially applicable to a range of polymers. The coupling reaction applied in the second project of this dissertation was copper-catalyzed “click” cycloaddition of azides and alkynes (CuAAC). Novel well-defined polyethylene-based

  3. Cyclodextrin chemistry

    International Nuclear Information System (INIS)

    The chemistry of cyclodextrins was studied. This study included synthesising some cyclodextrin derivatives, preparing selected inclusion complexes with cyclodextrin and investigating the effects of gamma irradiation on cyclodextrins and certain linear oligosaccharides. This report presents a brief review of the structure and properties of cyclodextrins, the synthesis of cyclodextrin derivatives, their complexation and applications. This is followed by a description of the synthesis of some cyclodextrin derivatives and the preparation of inclusion complexes of cyclodextrin with some organic compounds. Finally, the effects of gamma irradiation on cyclodextrins, some of their derivatives and certain structurally related carbohydrates are discussed. The gamma irradiation studies were carried out for two reasons: to study the effects of gamma irradiation on cyclodextrins and their derivatives; and to investigate selectivity during the gamma irradiation of cyclodextrin derivatives

  4. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

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

    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).

  5. Philosophy of Mathematical Chemistry: A Personal Perspective

    Directory of Open Access Journals (Sweden)

    Subhash C. Basak

    2013-07-01

    Full Text Available This article discusses the nature of mathematical chemistry, discrete mathematical chemistry in particular. Molecules and macromolecules can be represented by model objects using methods of discrete mathematics, e.g., graphs and matrices. Mathematical formalisms are further applied on the model objects to distill various quantitative characteristics. The end product of such an exercise can be a better understanding of chemistry, the development of quantitative scales for qualitative notions of chemistry, or an illumination of the structural basis of chemical and biological properties. The aforementioned aspects of mathematical chemistry are discussed based on my own practitioner’s perspective.

  6. Riparian zone influence on stream water chemistry at different spatial scales: a GIS-based modelling approach, an example for the Dee, NE Scotland.

    Science.gov (United States)

    Smart, R P; Soulsby, C; Cresser, M S; Wade, A J; Townend, J; Billett, M F; Langan, S

    2001-12-01

    A geographical information system (GIS-ARC/INFO) was used to collate existing spatial data sets on catchment characteristics to predict stream water quality using simple empirical models. The study, based on the river Dee catchment in NE Scotland, found that geological maps and associated geochemical information provided a suitable framework for predicting chemical parameters associated with acidification sensitivity (including alkalinity and base cation concentrations). In particular, it was found that in relatively undisturbed catchments, the parent material and geochemistry of the riparian zone, when combined with a simple hydrological flow path model, could be used to accurately predict stream water chemistry at a range of flows (Q95 to > Q5) and spatial scales (1-1000 km2). This probably reflects the importance of the riparian zone as an area where hydrological inputs to stream systems occur via flow paths in the soil and groundwater zones. Thus, evolution of drainage water chemistry appears to retain the geochemical characteristics of the riparian area as it enters the channel network. In more intensively managed catchments, riparian land use is a further influential factor, which can be incorporated into models to improve predictions for certain base cations. The utility in providing simple hydrochemical models, based on readily available data sets, to assist environmental managers in planning land use in catchment systems is discussed. PMID:11763266

  7. Science Update: Inorganic Chemistry.

    Science.gov (United States)

    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)

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

    Science.gov (United States)

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

    2014-01-01

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

  9. Cofiring of difficult fuels: The effect of Ca-based sorbents on the gas chemistry in fluidised bed combustion; Kalsiumpohjaisten lisaeaineiden vaikutus leijukerrospolton kaasukemiaan vaikeiden polttoaineiden sekapoltossa

    Energy Technology Data Exchange (ETDEWEB)

    Aeijaelae, M.; Partanen, J.; Fabritius, M.; Elo, T.; Virta, A.K. [Imatran Voima Oy, Vantaa (Finland)

    1997-10-01

    The objective of this project is to establish the effects of Ca-based sorbents on sulphur, halogen and alkaline chemistry in fluidised bed combustion of difficult fuels, and to find out any restrictions on the use of these sorbents. The aim is to acquire sufficient knowledge to ensure the operational reliability of power plants and to minimise the emissions and costs of flue gas cleaning. The results enable the owner to anticipate necessary changes associated with slagging, fouling and emission control in the existing power plants, when there are plans to increase the range of fuels used. (orig.)

  10. Supramolecular chemistry and technology

    Directory of Open Access Journals (Sweden)

    HENRIQUE E. TOMA

    2000-03-01

    Full Text Available Supramolecular chemistry deals with the association of several chemical species, in an organized way and according to well defined purposes. Based on a molecular engineering approach, supramolecular structures can be designed from pre-formed building blocks, providing a promising route from chemistry to molecular nanotechnology. New supramolecular systems have been assembled in our laboratory with the use of bridging unities such as tetrapyridylporphyrins, porphyrazines and polypyrazines, connecting transition metal complexes and clusters. These systems display a very exciting electrochemical and catalytic behavior, and interact with DNA, generating ¹O2 and leading to efficient oxidative clivage for photodynamic terapy applications. Molecular interfaces have been developed, exhibiting photocurrent response in the presence of visible-UV light, and rectifying properties in the presence of electroactive species. Successful applications of the supramolecular species in chemical and bio-sensors have been developed.

  11. Carbohydrates in Supramolecular Chemistry.

    Science.gov (United States)

    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. PMID:26702928

  12. [Evaluation of the senses of taste and smell in petroleum chemistry workers based on 3-year observations].

    Science.gov (United States)

    Latkowski, B; Zalewski, P; Najwer, K; Zbrzezny, K; Czyzewski, I

    1981-01-01

    The authors have presented results of examinations of the smell and taste senses in 547 petrochemistry, workers, and 100 cotton industry workers composing a control group. In both groups, those aged 26 -- 35, with long duration of employment, predominated. In the primary group i.e. petroleum chemistry workers, dysgeusia has been found in 319 (58.3%) subjects with no reaction at all in 102 (18.6%) persons. Hyposmia has been found in 238 (43.5%) and anosmia in 50 (9.2%) subjects. In the control group, dysgeusia has been found in 69%, whereas anosmia in 24% of subjects. PMID:7289861

  13. Evaluation of Meso-NH and WRF/CHEM simulated gas and aerosol chemistry over Europe based on hourly observations

    OpenAIRE

    Berger, A; Barbet, C.; M. Leriche; L. Deguillaume; Mari, C; N. Chaumerliac; Bègue, N; P. Tulet; Gazen, D.; Escobar, J

    2016-01-01

    Gas and aerosol chemistry of 10 km -resolution mesoscale models Meso-NH and WRF/CHEM were evaluated on three cases over Europe. These one-day duration cases were selected from Freney et al. (2011) and occurred on contrasted meteorological conditions and at different seasons: a cyclonic circulation with a well-marked frontal zone on winter, an anti-cyclonic situation with local storm precipitations on summer and a cold front in the northwest of Europe associated to a convergence of air masses ...

  14. Trace Chemistry

    Science.gov (United States)

    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

  15. International Year of Chemistry 2011

    Institute of Scientific and Technical Information of China (English)

    XUE Zi-Ling

    2011-01-01

    Science China Chemistry would like to dedicate this special issue to the International Year of Chemistry (IYC) 2011,as part of the celebrations of IYC in China.Scientists from Australia,Brazil,Britain,Canada,Chile,China,France,Germany,India,Israel,Japan,Nepal,Pakistan,Saudi Arabia,Singapore,South Africa,and the USA have contributed 28 papers marking the event.Our authors from across the globe include students,members (a corresponding member) and fellows of national academies of sciences in several countries (Australia,Chile,China,France,India,Israel,Pakistan,and the USA),fellows of the British and Canadian Royal Societies,and two Nobel Laureates (Robert Grubbs and Ada Yonath).Here they present their work contributing to the IYC 2011 theme "Chemistry-our life,our future" [1].These papers cover fundamental chemistry,the chemical bases of life processes,and their potential applications.

  16. Evaluation of Meso-NH and WRF/CHEM simulated gas and aerosol chemistry over Europe based on hourly observations

    Science.gov (United States)

    Berger, A.; Barbet, C.; Leriche, M.; Deguillaume, L.; Mari, C.; Chaumerliac, N.; Bègue, N.; Tulet, P.; Gazen, D.; Escobar, J.

    2016-07-01

    Gas chemistry and aerosol chemistry of 10 km-resolution mesoscale models Meso-NH and WRF/CHEM were evaluated on three cases over Europe. These one-day duration cases were selected from Freney et al. (2011) and occurred on contrasted meteorological conditions and at different seasons: a cyclonic circulation with a well-marked frontal zone on winter, an anti-cyclonic situation with local storm precipitations on summer and a cold front in the northwest of Europe associated to a convergence of air masses over eastern Europe and conflicting air masses over Spain and France on autumn. To assess the performance of the two models, surface hourly databases from observation stations over Europe were used, together with airborne measurements. For both models, the meteorological fields were in good agreement with the measurements for the three days. Winds presented the largest normalised mean bias integrated over all European stations for both models. Daily gas chemistry was reproduced with normalised mean biases between - 14 and 11%, a level of accuracy that is acceptable for policy support. The two models' performances were degraded during night-time quite likely due to the constant primary species emissions. The PM2.5 bulk mass concentration was overestimated by Meso-NH over Europe and slightly underestimated by WRF/CHEM. The absence of wet deposition in the models partly explains the local discrepancies with the observations. More locally, the systematic low mixing ratio of volatile organic compounds in the gas phase simulated by WRF/CHEM at three stations was correlated with the underestimation of OM (organic matter) mass in the aerosol phase. Moreover, this mass of OM was mainly composed of anthropogenic POAs (primary organic aerosols) in WRF/CHEM, suggesting a missing source for SOAs (secondary organic aerosols) mass in WRF/CHEM aerosol parameterisation. The contribution of OM was well simulated by Meso-NH, with a higher contribution for the summer case. For Meso

  17. Carbon mineralization and pyrite oxidation in groundwater: Importance for silicate weathering in boreal forest soils and stream base-flow chemistry

    International Nuclear Information System (INIS)

    Research highlights: → Organic compounds is mineralized during later transport in deep groundwater aquifers. → Carbonic acid generated by this process stimulates dissolution of silicate minerals. → Protons derived from pyrite oxidation also affects weathering in deep groundwater. → The identified weathering mechanisms affect base-flow chemistry in boreal streams. - Abstract: What role does mineralized organic C and sulfide oxidation play in weathering of silicate minerals in deep groundwater aquifers? In this study, how H2CO3, produced as a result of mineralization of organic matter during groundwater transport, affects silicate weathering in the saturated zone of the mineral soil along a 70 m-long boreal hillslope is demonstrated. Stream water measurements of base cations and δ18O are included to determine the importance of the deep groundwater system for downstream surface water. The results suggest that H2CO3 generated from organic compounds being mineralized during the lateral transport stimulates weathering at depths between 0.5 and 3 m in the soil. This finding is indicated by progressively increasing concentrations of base cations-, silica- and inorganic C (IC) in the groundwater along the hillslope that co-occur with decreasing organic C (OC) concentrations. Protons derived from sulfide oxidation appear to be an additional driver of the weathering process as indicated by a build-up of SO42- in the groundwater during lateral transport and a δ34S per mille value of +0.26-3.76 per mille in the deep groundwater indicating S inputs from pyrite. The two identified active acids in the deep groundwater are likely to control the base-flow chemistry of streams draining larger catchments (>1 km2) as evident by δ18O signatures and base cation concentrations that overlap with that of the groundwater.

  18. Approaching isomerism in organic and inorganic compounds: activity based on the use of problem situations during initial chemistry teacher training

    Directory of Open Access Journals (Sweden)

    osé Euzébio Simões Neto

    2013-08-01

    Full Text Available This study sought investigate: i the understanding of isomerism by future chemistry teachers during initial training; and ii the construction of isomer concepts after an approach centered on problem situations (SP’s. Two problem situations related to isomerism (historical context and medicinal applications were elaborated. A textual learning material developed for this purpose and concrete molecular models were used of system resources in the problem situation resolution process. Data were colleted using a questionnaire, field observation and semi-structured interview, and analyzed according to the ideas presented by Meirieu (1998. The two SP’s had obstacles, transposable to only a few of the nine groups that responded. Inadequate use of the isomer concept was observed in many of the responses considered scarcely satisfactory or unsatisfactory.

  19. A solid phase extraction based non-disruptive sampling technique to investigate the surface chemistry of macroalgae.

    Science.gov (United States)

    Cirri, Emilio; Grosser, Katharina; Pohnert, Georg

    2016-01-01

    The surface chemistry of aquatic organisms determines their biotic interactions. Metabolites in the spatially limited laminar boundary layer mediate processes, such as antifouling, allelopathy and chemical defense against herbivores. However, very few methods are available for the investigation of such surface metabolites. An approach is described in which surfaces are extracted by means of C18 solid phase material. By powdering wet algal surfaces with this material, organic compounds are adsorbed and can be easily recovered for subsequent liquid chromatography/mass spectrometry (LC/MS) and gas chromatography/mass spectrometry (GC/MS) investigations. The method is robust, picks up metabolites of a broad polarity range and is easy to handle. It is more universal compared to established solvent dipping protocols and it does not cause damage to the test organisms. A protocol is introduced for the macroalgae Fucus vesiculosus, Caulerpa taxifolia and Gracilaria vermiculophylla, but it can be easily transferred to other aquatic organisms. PMID:26795737

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

    Science.gov (United States)

    Hofstein, Avi; Kesner, Miri

    2006-01-01

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

  1. Microfluidics for High School Chemistry Students

    OpenAIRE

    Hemling, Melissa; Crooks, John A.; Oliver, Piercen M.; Brenner, Katie; Gilbertson, Jennifer; Lisensky, George C.; Weibel, Douglas B.

    2014-01-01

    We present a laboratory experiment that introduces high school chemistry students to microfluidics while teaching fundamental properties of acid–base chemistry. The procedure enables students to create microfluidic systems using nonspecialized equipment that is available in high school classrooms and reagents that are safe, inexpensive, and commercially available. The experiment is designed to ignite creativity and confidence about experimental design in a high school chemistry class. This ex...

  2. Progress in molecular uranium-nitride chemistry

    OpenAIRE

    King, David M.; Liddle, Stephen T

    2014-01-01

    The coordination, organometallic, and materials chemistry of uranium nitride has long been an important facet of actinide chemistry. Following matrix isolation experiments and computational characterisation, molecular, solution-based uranium chemistry has developed significantly in the last decade or so culminating most recently in the isolation of the first examples of long-sought terminal uranium nitride linkages. Herein, the field is reviewed with an emphasis on well-defined molecular spec...

  3. A Study of Experimental Chemistry Scoring System Based on Improved FAHP%基于改进的FAHP的实验化学测评体系研究

    Institute of Scientific and Technical Information of China (English)

    聂丽华; 林毅; 冯辉荣; 游秀花; 蔡向阳

    2014-01-01

    The scoring system's scientificity ,comprehensiveness ,fairness and operability will have a significant influence on students'learning interest ,cultivation of innovative skills ,,development of operational ability , and enthusiasm ,etc .This article has improved the existing scoring system of experimental chemistry based on improved fuzzy analytical hierarchy process (FAHP) and uses three -demarcation method to ensure the influence that assessment criteria has on the assessment objectives ,w hich aims to build an experimental chemistry scoring system that is more practical and beneficial to the training of students .%指出了评分体系制定的科学性、全面性、公平性与可操作性,将会对学生的学习兴趣、创新能力的培养、动手能力的提高、积极性的调动等方面产生重要影响。利用改进的模糊层次分析法(FAHP),对已有的实验化学测评体系进行了改进,运用三标度法,确定了各评价指标对于评价目标的影响程度,制定出了较符合实际情况、有利于学生培养的实验化学测评体系。

  4. Chemistry to music: Discovering how Music-based Teaching affects academic achievement and student motivation in an 8th grade science class

    Science.gov (United States)

    McCammon, William Gavin Lodge, Jr.

    Teachers should have access to new and innovative tools in order to engage and motivate their students in the classroom. This is especially important as many students view school as an antiquated and dull environment - which they must seemingly suffer through to advance. School need not be a dreaded environment. The use of music as a tool for learning can be employed by any teacher to create an engaging and exciting atmosphere where students actively participate and learn to value their classroom experience. Through this study, a product and process was developed that is now available for any 8th grade science teacher interested in using music to enhance their content. In this study 8th grade students (n=41) in a public school classroom actively interacted with modern songs created to enhance the teaching of chemistry. Data were collected and analyzed in order to determine the effects that the music treatment had on student achievement and motivation, compared to a control group (n=35). Current literature provides a foundation for the benefits for music listening and training, but academic research in the area of using music as a tool for teaching content was noticeably absent. This study identifies a new area of research called "Music-based Teaching" which results in increases in motivation for 8th grade students learning chemistry. The unintended results of the study are additionally significant as the teacher conducting the treatment experienced newfound enthusiasm, passion, and excitement for her profession.

  5. From Matter to Life:Chemistry?Chemistry!

    Institute of Scientific and Technical Information of China (English)

    Jean-Marie; LEHN

    2007-01-01

    1 Results Animate as well as inanimate matter,living organisms as well as materials,are formed of molecules and of the organized entities resulting from the interaction of molecules with each other.Chemistry provides the bridge between the molecules of inanimate matter and the highly complex molecular architectures and systems which make up living organisms. Synthetic chemistry has developed a very powerful set of methods for constructing ever more complex molecules.Supramolecular chemistry seeks to con...

  6. Green chemistry: A tool in Pharmaceutical Chemistry

    OpenAIRE

    Smita Talaviya; Falguni Majumdar

    2012-01-01

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

  7. Chemistry Rocks: Redox Chemistry as a Geologic Tool.

    Science.gov (United States)

    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)

  8. Nanoscale surface chemistry

    OpenAIRE

    Madey, Theodore E.; Pelhos, Kalman; WU, QIFEI; Barnes, Robin; Ermanoski, Ivan; Chen, Wenhua; Kolodziej, Jacek J.; Rowe, John E.

    2002-01-01

    We report evidence in several experiments for nanometer-size effects in surface chemistry. The evidence concerns bimetallic systems, monolayer films of Pt or Pd on W(111) surfaces. Pyramidal facets with {211} faces are formed on annealing on physical monolayer of Pt, Pd on a W(111) substrate, and facet sizes increase with annealing temperature. We used synchrotron radiation-based soft x-ray photoemission to show that monolayer films of Pt, Pd, on W “float” on the outer surface, whereas multil...

  9. A Global Scale Scenario for Prebiotic Chemistry: Silica-Based Self-Assembled Mineral Structures and Formamide.

    Science.gov (United States)

    Saladino, Raffaele; Botta, Giorgia; Bizzarri, Bruno Mattia; Di Mauro, Ernesto; Garcia Ruiz, Juan Manuel

    2016-05-17

    The pathway from simple abiotically made organic compounds to the molecular bricks of life, as we know it, is unknown. The most efficient geological abiotic route to organic compounds results from the aqueous dissolution of olivine, a reaction known as serpentinization (Sleep, N.H., et al. (2004) Proc. Natl. Acad. Sci. USA 101, 12818-12822). In addition to molecular hydrogen and a reducing environment, serpentinization reactions lead to high-pH alkaline brines that can become easily enriched in silica. Under these chemical conditions, the formation of self-assembled nanocrystalline mineral composites, namely silica/carbonate biomorphs and metal silicate hydrate (MSH) tubular membranes (silica gardens), is unavoidable (Kellermeier, M., et al. In Methods in Enzymology, Research Methods in Biomineralization Science (De Yoreo, J., Ed.) Vol. 532, pp 225-256, Academic Press, Burlington, MA). The osmotically driven membranous structures have remarkable catalytic properties that could be operating in the reducing organic-rich chemical pot in which they form. Among one-carbon compounds, formamide (NH2CHO) has been shown to trigger the formation of complex prebiotic molecules under mineral-driven catalytic conditions (Saladino, R., et al. (2001) Biorganic & Medicinal Chemistry, 9, 1249-1253), proton irradiation (Saladino, R., et al. (2015) Proc. Natl. Acad. Sci. USA, 112, 2746-2755), and laser-induced dielectric breakdown (Ferus, M., et al. (2015) Proc Natl Acad Sci USA, 112, 657-662). Here, we show that MSH membranes are catalysts for the condensation of NH2CHO, yielding prebiotically relevant compounds, including carboxylic acids, amino acids, and nucleobases. Membranes formed by the reaction of alkaline (pH 12) sodium silicate solutions with MgSO4 and Fe2(SO4)3·9H2O show the highest efficiency, while reactions with CuCl2·2H2O, ZnCl2, FeCl2·4H2O, and MnCl2·4H2O showed lower reactivities. The collections of compounds forming inside and outside the tubular membrane are

  10. A Global Scale Scenario for Prebiotic Chemistry: Silica-Based Self-Assembled Mineral Structures and Formamide

    Science.gov (United States)

    2016-01-01

    The pathway from simple abiotically made organic compounds to the molecular bricks of life, as we know it, is unknown. The most efficient geological abiotic route to organic compounds results from the aqueous dissolution of olivine, a reaction known as serpentinization (Sleep, N.H., et al. (2004) Proc. Natl. Acad. Sci. USA 101, 12818–12822). In addition to molecular hydrogen and a reducing environment, serpentinization reactions lead to high-pH alkaline brines that can become easily enriched in silica. Under these chemical conditions, the formation of self-assembled nanocrystalline mineral composites, namely silica/carbonate biomorphs and metal silicate hydrate (MSH) tubular membranes (silica gardens), is unavoidable (Kellermeier, M., et al. In Methods in Enzymology, Research Methods in Biomineralization Science (De Yoreo, J., Ed.) Vol. 532, pp 225–256, Academic Press, Burlington, MA). The osmotically driven membranous structures have remarkable catalytic properties that could be operating in the reducing organic-rich chemical pot in which they form. Among one-carbon compounds, formamide (NH2CHO) has been shown to trigger the formation of complex prebiotic molecules under mineral-driven catalytic conditions (Saladino, R., et al. (2001) Biorganic & Medicinal Chemistry, 9, 1249–1253), proton irradiation (Saladino, R., et al. (2015) Proc. Natl. Acad. Sci. USA, 112, 2746–2755), and laser-induced dielectric breakdown (Ferus, M., et al. (2015) Proc Natl Acad Sci USA, 112, 657–662). Here, we show that MSH membranes are catalysts for the condensation of NH2CHO, yielding prebiotically relevant compounds, including carboxylic acids, amino acids, and nucleobases. Membranes formed by the reaction of alkaline (pH 12) sodium silicate solutions with MgSO4 and Fe2(SO4)3·9H2O show the highest efficiency, while reactions with CuCl2·2H2O, ZnCl2, FeCl2·4H2O, and MnCl2·4H2O showed lower reactivities. The collections of compounds forming inside and outside the tubular

  11. Where is the equator? A definition based on the atmosphere and its implications for atmospheric chemistry and climate

    Science.gov (United States)

    Holmes, C. D.; Prather, M. J.

    2014-12-01

    The concentration of hydroxyl (OH)—the main sink for the greenhouse gases methane and hydrofluorocarbons—in Earth's northern and southern hemispheres is an important longstanding puzzle in atmospheric chemistry. Observations of methylchloroform imply that there is about 10% more OH-loss in the southern hemisphere. In contrast, global 3-D atmospheric models (CTMs and GCMs) simulate 28 ± 10 % greater OH concentrations and methane loss in the northern hemisphere, according to a recent survey. This apparent shortcoming of many models derives in large part from an inconsistent definition of the hemispheres. For model results, OH concentrations and methane/methylchloroform loss are commonly averaged over the geographic hemispheres, with the geographic equator as the dividing line. For the observations, however, the hemispheres are separated by the atmosphere's circulatory mixing barrier, which rarely coincides with the geographic equator. Instead the barrier to interhemispheric mixing corresponds to the rising branch of the Hadley circulation and follows the seasonal migration of the sun. We use artificial tracers in a CTM to define the atmospheric (as opposed to geographic) hemispheres. We show that the tracer definition corresponds with the Intertropical Convergence Zone (ITCZ) where it is well defined and robust against several different tracer definitions. The atmospheric equator lies at 3°N on average (10°N in boreal summer) and extends as far as 30°N during the South Asian summer monsoon (Figure 1). When methane/methylchloroform loss rates are calculated for the dynamic and time-varying hemispheres, the CTM has just 5% greater loss in the northern hemisphere (Figure 1). Thus, using a definition of atmospheric hemispheres that is consistent with atmospheric circulations reveals that OH distributions in CTMs, while still slightly overestimating northern hemisphere OH, are much closer to observational constraints than has been implied by past work. We also

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

    Science.gov (United States)

    Lehn, Jean-Marie

    2012-01-01

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

  13. Novel carbamoyl type quinine and quinidine based chiral anion exchangers implementing alkyne-azide cycloaddition immobilization chemistry.

    Science.gov (United States)

    Hettegger, Hubert; Kohout, Michal; Mimini, Vebi; Lindner, Wolfgang

    2014-04-11

    The synthesis and chromatographic evaluation of a series of new Cinchona derived chiral weak anion exchangers is presented. Huisgen Cu(I) mediated alkyne-azide cycloaddition, so-called click chemistry, was used as an immobilization strategy. In this way it was possible to immobilize about 90% of offered selector via 1,2,3-triazole linker, which displays a more efficient way of binding the selector to modified silica compared to common radical mediated thiol-ene addition. Problems associated with potential radical scavenging properties of chiral selectors thereby could be circumvented. The evaluation of the synthesized chiral stationary phases regarding chromatographic behavior was carried out using polar organic mode mobile phase composition and a set of representative chiral organic acids. Different loading densities revealed an optimum selector density of about 310μmol/g chiral stationary phase with respect to resolution and selectivity. A decrease of performance was observed for higher loading, indicating mutual spatial influence of selector units leading to sterical hindrance. In addition, we observed that the effect of free azide groups on retention is negligible and the overall chromatographic behavior is comparable to other Cinchona derived chiral stationary phases.

  14. Striking a Balance: Experiment and Concept in Undergraduate Inorganic Chemistry.

    Science.gov (United States)

    Frey, John E.

    1990-01-01

    Described is an inorganic chemistry course based on the premise that a balanced understanding of inorganic chemistry requires knowledge of the experimental, theoretical, and technological aspects of the subject. A detailed description of lectures and laboratories is included. (KR)

  15. High School Chemistry Content Background of Introductory College Chemistry Students and Its Association with College Chemistry Grades

    Science.gov (United States)

    Tai, Robert H.; Ward, R. Bruce; Sadler, Philip M.

    2006-01-01

    Do students who focus on some content areas in high school chemistry have an advantage over others in college chemistry? Published research on high school preparation for college science dates back as far as the 1920s, but results have been mixed. This manuscript seeks to answer this question through the use of a broad-based survey of 3521…

  16. [JSPS Asia and Africa scientific platform program development for the medicinal chemistry based on biologically active natural products in the subtropical zone].

    Science.gov (United States)

    Saito, Naoki; Morita, Takashi

    2009-04-01

    In 2005, the independent administrative institution the "Japan Society for the Promotion of Sciences (JSPS)" initiated the "Asia and Africa Science Platform Program", which is a new project aimed to create high potential research hubs in selected fields within the Asian and African region, while fostering the next generation of leading researchers. Another goal is to establish sustainable collaborative relationships among universities and research institutes in Japan and other Asian and African countries. In this project, we consider natural sources existing in partner countries to be the most important factor in the production of medicine. We will search for target compounds and analyze their structures by screening biologically active natural products. Additionally, we will design functional molecules and create process for retrieving a large supply of target compounds based on a bioprospecting strategy. Thailand, Indonesia, and India share the vision of enhancing collaborative efforts. By conducting this researche, we will focus on academic research that is necessary for the development of the pharmaceutical and medical products industry in partner countries. There are four selected research topics as followeds: 1) Development of New Antitumor Agents based on Marine Natural Products; 2) Development of New Anticoagulants and Anti-VEGF; 3) Molecular Epidemiological Investigation of Emerging Infectious Diseases and Development of Novel Diagnosis and Therapeutic Agents; and 4) Medicinal Chemistry on Biologically Active Natural Products from the Traditional Condiments and Medicines. The exchanges might take the form of joint research seminars. The first Medicinal Chemistry Seminar of the AA Scientific Platform Program was co-organized with the 23th Annual Research Conference on Pharmaceutical Sciences, Thailand at Chulalongkorn University, Bangkok, on December 14-15, 2006. The 2nd JSPS seminar was co-organized with the 1st Bioactive Natural Products from Marine

  17. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1977

    1977-01-01

    Includes methods for determining melting and boiling points, illustrating the Finkelstein reaction, choosing acid-base indicators, growing perfect NaC1 cubes and "whiskers," bromination of alkenes, using vanadium in the laboratory, preparing phenylamine-copper (II) sulfate (VI) complex, simulating first-order chemical kinetics on a programmable…

  18. 基于迁移理论的高中化学教学探讨%Study of chemistry teaching based on transfer theory in high school

    Institute of Scientific and Technical Information of China (English)

    江山

    2013-01-01

    This paper introduces the concept of transfer theory, combined with the many years of teaching experience, to explore the specific use of chemistry teaching strategy based on transfer theory in high school. That is, find the students to acquire new knowledge growth points of knowledge, master the basic knowledge firmly, constructing scientific cognitive system.%文章介绍了迁移理论的概念,结合自己多年的教学经验,探讨迁移理论在高中化学教学策略中的具体运用:找准学生获取新知的知识生长点;掌握牢固的基础知识;构建科学严密的认知体系。

  19. Chemistry Outreach Project to High Schools Using a Mobile Chemistry Laboratory, ChemKits, and Teacher Workshops

    Science.gov (United States)

    Long, Gary L.; Bailey, Carol A.; Bunn, Barbara B.; Slebodnick, Carla; Johnson, Michael R.; Derozier, Shad

    2012-01-01

    The Chemistry Outreach Program (ChOP) of Virginia Tech was a university-based outreach program that addressed the needs of high school chemistry classes in underfunded rural and inner-city school districts. The primary features of ChOP were a mobile chemistry laboratory (MCL), a shipping-based outreach program (ChemKits), and teacher workshops.…

  20. Green chemistry: A tool in Pharmaceutical Chemistry

    Directory of Open Access Journals (Sweden)

    Smita Talaviya

    2012-07-01

    Full Text Available Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceuticals is to utilize eco-friendly, non-hazardous, reproducible and efficient solvents and catalysts in synthesis of drug molecules, drug intermediates and in researches involving synthetic chemistry. Microwave synthesis is also an important tool of green chemistry by being an energy efficient process.

  1. Environmental chemistry: Volume A

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T.F.

    1999-08-01

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

  2. CHINESE JOURNAL OF CHEMISTRY

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    @@Chinese Journal of Chemistry is an international journal published in English by the Chinese Chemical Society with its editorial office hosted by Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences.

  3. Beliefs and Knowledge in Chemistry Teacher Development

    Science.gov (United States)

    Veal, William R.

    2004-01-01

    The primary objective of this research was to establish a link between preservice, secondary chemistry teachers' knowledge base and beliefs about teaching. The case study followed two preservice chemistry teachers through their methods course, practicum experience, and student teaching internship. Pedagogical content knowledge vignettes, following…

  4. The effect of learning styles and attitude on preservice elementary teachers' conceptual understanding of chemistry and the nature of matter in a simulation-based learning environment

    Science.gov (United States)

    Al-Jaroudi, Mo H.

    This causal-comparative descriptive study investigated the achievement of pre-service elementary teachers taking an introductory physical science course that integrates inquiry-based instruction with computer simulations. The study was intended to explore if pre-service elementary teachers with different attitudes towards science as well as students with different learning styles would benefit differentially. Four research questions including four hypotheses were developed. The first major question consist of four specific hypothesis that addressed preservice elementary teachers' learning styles (Active/Reflective, Sensing/Intuitive, Visual/Verbal, and Sequential/Global) and their conceptual understanding of chemistry and the particulate nature of matter in a science class which use hands-on learning integrated with computer based simulated activities. The second major question pertained to the relationship between preservice teachers learning science and chemistry and their attitude towards science. The third major question related to preservice elementary teachers science and chemistry achievement gain scores and attitude average affected by their learning styles. Finally, the fourth question pertained to the dissipation or the minimization of preservice elementary teachers' science and chemistry misconceptions over the course of study. Three instruments were given to preservice elementary teachers in three different classes: pretest/posttest for the science conceptual understanding examination, and pretest-only for the science attitude and learning styles instruments. Total usable science attitude surveys returned was 67 out of 70. The overall average mean was 3.13 (SD = .51) on a five point scale. Total return of science achievement instrument was 65, with a total mean test score (quantitative and qualitative together) of 6.38 (SD = 3.05) on the pretest, with a post test mean of 9.06 (SD = 4.19). Results revealed no statistically significant achievement gain

  5. Organic chemistry experiment

    Energy Technology Data Exchange (ETDEWEB)

    Mun, Seok Sik

    2005-02-15

    This book deals with organic chemistry experiments, it is divided five chapters, which have introduction, the way to write the experiment report and safety in the laboratory, basic experiment technic like recrystallization and extraction, a lot of organic chemistry experiments such as fischer esterification, ester hydrolysis, electrophilic aromatic substitution, aldol reaction, benzoin condensation, wittig reaction grignard reaction, epoxidation reaction and selective reduction. The last chapter introduces chemistry site on the internet and way to find out reference on chemistry.

  6. Frontiers in Gold Chemistry

    OpenAIRE

    Mohamed, Ahmed A.

    2015-01-01

    Basic chemistry of gold tells us that it can bond to sulfur, phosphorous, nitrogen, and oxygen donor ligands. The Frontiers in Gold Chemistry Special Issue covers gold complexes bonded to the different donors and their fascinating applications. This issue covers both basic chemistry studies of gold complexes and their contemporary applications in medicine, materials chemistry, and optical sensors. There is a strong belief that aurophilicity plays a major role in the unending applications of g...

  7. Medicinal electrochemistry: integration of electrochemistry, medicinal chemistry and computational chemistry.

    Science.gov (United States)

    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

  8. Green Chemistry and Education.

    Science.gov (United States)

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

    2000-01-01

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

  9. Cycloadditions in modern polymer chemistry.

    Science.gov (United States)

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

    2015-05-19

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

  10. Teaching Techniques in Clinical Chemistry.

    Science.gov (United States)

    Wilson, Diane

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

  11. Visualizing Chemistry: Investigations for Teachers.

    Science.gov (United States)

    Ealy, Julie B.; Ealy, James L., Jr.

    This book contains 101 investigations for chemistry classrooms. Topics include: (1) Physical Properties; (2) Reactions of Some Elements; (3) Reactions Involving Gases; (4) Energy Changes; (5) Solutions and Solubility; (6) Transition Metals and Complex Ions; (7) Kinetics and Equilibrium; (8) Acids and Bases; (9) Oxidation-Reduction; (10)…

  12. A global assessment of precipitation chemistry and deposition of sulfur, nitrogen, sea salt, base cations, organic acids, acidity and pH, and phosphorus

    Science.gov (United States)

    Vet, Robert; Artz, Richard S.; Carou, Silvina

    2014-08-01

    Investigating and assessing the chemical composition of precipitation and atmospheric deposition is essential to understanding how atmospheric pollutants contribute to contemporary environmental concerns including ecosystem acidification and eutrophication, loss of biodiversity, air pollution and global climate change. Evidence of the link between atmospheric deposition and these environmental issues is well established. The state of scientific understanding of this link is that present levels of atmospheric deposition of sulfur and nitrogen adversely affect terrestrial and aquatic ecosystems, putting forest sustainability and aquatic biodiversity at risk. Nitrogen and phosphorus loadings are linked to impacts on the diversity of terrestrial and aquatic vegetation through biological cycling, and atmospheric deposition plays a major role in the emission-transport-conversion-loss cycle of chemicals in the atmosphere as well as the formation of particulate matter and ozone in the troposphere. Evidence also shows that atmospheric constituents are changing the earth's climate through direct and indirect atmospheric processes. This Special Issue, comprising a single article titled "A global assessment of precipitation chemistry and deposition of sulfur, nitrogen, sea salt, base cations, organic acids, acidity and pH, and phosphorus", presents a recent comprehensive review of precipitation chemistry and atmospheric deposition at global and regional scales. The information in the Special Issue, including all supporting data sets and maps, is anticipated to be of great value not only to the atmospheric deposition community but also to other science communities including those that study ecosystem impacts, human health effects, nutrient processing, climate change, global and hemispheric modeling and biogeochemical cycling. Understanding and quantifying pollutant loss from the atmosphere is, and will remain, an important component of each of these scientific fields as they

  13. Surface chemistry essentials

    CERN Document Server

    Birdi, K S

    2013-01-01

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

  14. The New Color of Chemistry: Green Chemistry

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK

    2012-01-01

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

  15. Annual report 1984 Chemistry Department

    International Nuclear Information System (INIS)

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

  16. Unifying natural and laboratory chemical weathering with interfacial dissolution-reprecipitation: A study based on the nanometer-scale chemistry of fluid-silicate interfaces

    International Nuclear Information System (INIS)

    Chemical weathering reactions of rocks at Earth's surface play a major role in the chemical cycle of elements, and represent one of the major abiotic sinks for atmospheric CO2. Because natural chemical weathering reactions occur at different and more complex chemical conditions than laboratory-based weathering experiments, it has long been thought that the underlying fluid-mineral interaction mechanisms are different. In contrast to most previous studies that have relied on ion, electron, and X-ray beam techniques (characterized by pm to mm lateral spatial resolution) to obtain chemical depth profiles of altered mineral surfaces, we have used high resolution and energy filtered transmission electron microscopy (HRTEM, EFTEM) to study mineral-fluid interfaces using TEM foils cut directly across the reaction boundaries. This allowed measurements to be made directly in cross section at nanometer to sub-nanometer-resolution. Our measurements of the surface chemistry and structure of a large suite of laboratory-altered and field-weathered silicate minerals indicate the general presence of surface layers composed of amorphous, hydrated silica. In each case, the boundary between the parent mineral and the corresponding silica layer is characterized by sharp, nanometer-scale chemical concentration jumps that are spatially coincident with a very sharp crystalline-amorphous interfacial boundary. TEM, atomic force microscopy (AFM), and aqueous chemistry data suggest that the surface layers are permeable to fluids. Taken together, our measurements are not in agreement with currently accepted models for chemical weathering, in particular the leached layer theory. Most importantly, our data provide critical evidence for a single mechanism based on interfacial dissolution-reprecipitation. This concept not only unifies weathering processes for the first time, but we also suggest that nanoscale-surface processes can have a potentially negative impact on CO2 uptake associated with

  17. Teacher Conceptions and Approaches Associated with an Immersive Instructional Implementation of Computer-Based Models and Assessment in a Secondary Chemistry Classroom

    Science.gov (United States)

    Waight, Noemi; Liu, Xiufeng; Gregorius, Roberto Ma.; Smith, Erica; Park, Mihwa

    2014-02-01

    This paper reports on a case study of an immersive and integrated multi-instructional approach (namely computer-based model introduction and connection with content; facilitation of individual student exploration guided by exploratory worksheet; use of associated differentiated labs and use of model-based assessments) in the implementation of coupled computer-based models and assessment in a high-school chemistry classroom. Data collection included in-depth teacher interviews, classroom observations, student interviews and researcher notes. Teacher conceptions highlighted the role of models as tools; the benefits of abstract portrayal via visualizations; appropriate enactment of model implementation; concerns with student learning and issues with time. The case study revealed numerous challenges reconciling macro, submicro and symbolic phenomena with the NetLogo model. Nonetheless, the effort exhibited by the teacher provided a platform to support the evolution of practice over time. Students' reactions reflected a continuum of confusion and benefits which were directly related to their background knowledge and experiences with instructional modes. The findings have implications for the role of teacher knowledge of models, the modeling process and pedagogical content knowledge; the continuum of student knowledge as novice users and the role of visual literacy in model decoding, comprehension and translation.

  18. Exploring a Framework for Professional Development in Curriculum Innovation: Empowering Teachers for Designing Context-Based Chemistry Education

    Science.gov (United States)

    Stolk, Machiel J.; De Jong, Onno; Bulte, Astrid M. W.; Pilot, Albert

    2011-01-01

    Involving teachers in early stages of context-based curriculum innovations requires a professional development programme that actively engages teachers in the design of new context-based units. This study considers the implementation of a teacher professional development framework aiming to investigate processes of professional development. The…

  19. Improving Students' Understanding of Molecular Structure through Broad-Based Use of Computer Models in the Undergraduate Organic Chemistry Lecture

    Science.gov (United States)

    Springer, Michael T.

    2014-01-01

    Several articles suggest how to incorporate computer models into the organic chemistry laboratory, but relatively few papers discuss how to incorporate these models broadly into the organic chemistry lecture. Previous research has suggested that "manipulating" physical or computer models enhances student understanding; this study…

  20. Tropospheric Halogen Chemistry

    Science.gov (United States)

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

    2003-12-01

    hydrocarbons. Loss of ozone by catalytic reactions involving halogen radicals lowers the concentrations of the hydroxyl radical OH and thus the oxidation power of the atmosphere. Figure 1 shows these and other relevant halogen-related processes schematically. The sum of particulate and gaseous halogen concentrations maximize in the marine troposphere. Important for our climate - via feedback with cloud microphysics mainly in the large regions of marine stratocumulus - are links between halogen chemistry and the sulfur cycle. HOBraq and HOClaq can increase the liquid phase oxidation of S(IV) to S(VI), while BrO can decrease the most important in situ source for SO2 in the marine troposphere, namely, the oxidation of DMS to SO2 by reaction with OH by providing an alternate pathway (BrO+DMS) that reduces the yield of SO2 from DMS oxidation. Thus, the presence of bromine and chlorine in the troposphere lowers gas phase SO2 concentrations and thus the formation of new sulfate particles via the reaction sequence SO2+OH→H2SO4. (17K)Figure 1. Schematic depiction of the most important halogen-related processes in the troposphere. High mixing ratios of iodine oxide at a coastal site indicate a potentially significant role of iodine for the destruction of O3 and new particle embryo formation (Alicke et al., 1999; O'Dowd et al., 1998). Almost 20 years earlier, Chameides and Davis (1980) suggested that open ocean iodine chemistry would be initiated by the photolysis of CH3I. This was based on the measurements of Lovelock et al. (1973) and Singh et al. (1979), who found volume mixing ratios of CH3I of 1-5 pmol mol-1 over the ocean.The potentially strong involvement of halogens in tropospheric chemistry was first observed in the Arctic, where strong ozone depletion events were found to coincide with high levels of bromine (Barrie et al., 1988).The first mid-latitude demonstration of reactive halogen chemistry in the troposphere was made downwind of salt pans in the Dead Sea area, where the

  1. 基于学生学习能力培养的化学导学案教学研究%A Research on Chemistry Learning Guide Teaching Based on Students′Learning Capacity Development

    Institute of Scientific and Technical Information of China (English)

    张玉彬

    2014-01-01

    依据设计实验的最新理论,从化学导学案教学的作用、特点,导学案的编写三个方面对化学导学案教学进行研究。化学导学案教学可以有效地改变化学课堂生态,促使学生化学学习方式的转变和学习能力的提高。%Based on the latest theory of designing experiment,this article discusses some research findings on the teaching of chemistry learning guide in terms of its function,highlights and rules of writing.The teaching of chemistry learning guide is of significance in promoting chemistry class teaching reform,transforming students′learning habit and developing students′learning capacity.

  2. Laboratory and project based learning in the compulsory course Biological Chemistry enhancing collaboration and technical communication between groups

    DEFF Research Database (Denmark)

    Agersø, Yvonne; Bysted, Anette; Jensen, Lars Bogø;

    2011-01-01

    The aim of this paper was to describe how changes of laboratory training and project based learning were implemented in order to train the students in making a study design, basic laboratory skills, handling of data, technical communication, collaboration and presentation.......The aim of this paper was to describe how changes of laboratory training and project based learning were implemented in order to train the students in making a study design, basic laboratory skills, handling of data, technical communication, collaboration and presentation....

  3. Elementary and brief introduction of hadronic chemistry

    Science.gov (United States)

    Tangde, Vijay M.

    2013-10-01

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

  4. The New Color of Chemistry: Green Chemistry

    OpenAIRE

    GERÇEK, Zuhal

    2012-01-01

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

  5. Philosophy of Chemistry or Philosophy with Chemistry?

    OpenAIRE

    Bernadette Bensaude-Vincent

    2014-01-01

    Chemistry deserves more philosophical attention not so much to do justice to a long-neglected science or to enhance its cultural prestige, but to undermine a number of taken-for-granted assumptions about scientific rationality and more importantly to diversify our metaphysical views of nature and reality. In brief, this paper does not make the case for a philosophy of chemistry. It rather urges philosophers of science to listen to chemists and discuss what they learn from them. Because over t...

  6. Coordination chemistry of actinide elements: preparation of new uranium complexes with schiff bases and their characterization (Preprint No. CT-31)

    International Nuclear Information System (INIS)

    The Schiff bases, o-vanillin semicarbazone (oVSC) and 2-pyridine carboxaldehyde isonicotinoyl hydrazone (PCINH) have been prepared and their novel complexes with dioxouranium(VI) have been synthesized and characterized by IR spectra, elemental analysis and other physico-chemical techniques. (author)

  7. Combinatorial Solid-Phase Synthesis of Aromatic Oligoamides: A Research-Based Laboratory Module for Undergraduate Organic Chemistry

    Science.gov (United States)

    Fuller, Amelia A.

    2016-01-01

    A five-week, research-based experiment suitable for second-semester introductory organic laboratory students is described. Each student designs, prepares, and analyzes a combinatorial array of six aromatic oligoamides. Molecules are prepared on solid phase via a six-step synthetic sequence, and purities and identities are determined by analysis of…

  8. Poly(ethylene glycol)-based thiol-ene hydrogel coatings: curing chemistry, aqueous stability, and potential marine antifouling applications

    NARCIS (Netherlands)

    Lundberg, P.; Bruin, A.; Klijnstra, J.W.; Nyström, A.M.; Johansson, M.; Malkoch, M.; Hult, A.

    2010-01-01

    Photocured thiol-ene hydrogel coatings based on poly(ethylene glycol) (PEG) were investigated for marine antifouling purposes. By varying the PEG length, vinylic end-group, and thiol cross-linker, a library of hydrogel coatings with different structural composition was efficiently accomplished, with

  9. Students Using a Novel Web-Based Laboratory Class Support System: A Case Study in Food Chemistry Education

    Science.gov (United States)

    van der Kolk, Koos; Beldman, Gerrit; Hartog, Rob; Gruppen, Harry

    2012-01-01

    The design, usage, and evaluation of a Web-based laboratory manual (WebLM) are described. The main aim of the WebLM is to support students while working in the laboratory by providing them with just-in-time information. Design guidelines for this electronic manual were derived from literature on cognitive load and user interface design. The WebLM…

  10. The Advantages Perceived by School Teachers in Engaging Their Students in University-Based Chemistry Outreach Activities

    Science.gov (United States)

    Tuah, Jauyah; Harrison, Timothy G.; Shallcross, Dudley E.

    2009-01-01

    The value teachers put on university-based outreach activities designed for 14-16 year olds that involves both practical and lecture activities are discussed. A variety of good reasons for attending are provided by the teachers but the role of a School Teacher Fellow in mapping the events to the curriculum is shown to be vital to the success of…

  11. HCOOH distributions from IASI for 2008-2014: comparison with ground-based FTIR measurements and a global chemistry-transport model

    Science.gov (United States)

    Pommier, Matthieu; Clerbaux, Cathy; Coheur, Pierre-François; Mahieu, Emmanuel; Müller, Jean-François; Paton-Walsh, Clare; Stavrakou, Trissevgeni; Vigouroux, Corinne

    2016-07-01

    Formic acid (HCOOH) is one of the most abundant volatile organic compounds in the atmosphere. It is a major contributor to rain acidity in remote areas. There are, however, large uncertainties on the sources and sinks of HCOOH and therefore HCOOH is misrepresented by global chemistry-transport models. This work presents global distributions from 2008 to 2014 as derived from the measurements of the Infrared Atmospheric Sounding Interferometer (IASI), based on conversion factors between brightness temperature differences and representative retrieved total columns over seven regions: Northern Africa, southern Africa, Amazonia, Atlantic, Australia, Pacific, and Russia. The dependence of the measured HCOOH signal on the thermal contrast is taken into account in the conversion method. This conversion presents errors lower than 20 % for total columns ranging between 0.5 and 1 × 1016 molec cm-2 but reaches higher values, up to 78 %, for columns that are lower than 0.3 × 1016 molec cm-2. Signatures from biomass burning events are highlighted, such as in the Southern Hemisphere and in Russia, as well as biogenic emission sources, e.g., over the eastern USA. A comparison between 2008 and 2014 with ground-based Fourier transform infrared spectroscopy (FTIR) measurements obtained at four locations (Maido and Saint-Denis at La Réunion, Jungfraujoch, and Wollongong) is shown. Although IASI columns are found to correlate well with FTIR data, a large bias (> 100 %) is found over the two sites at La Réunion. A better agreement is found at Wollongong with a negligible bias. The comparison also highlights the difficulty of retrieving total columns from IASI measurements over mountainous regions such as Jungfraujoch. A comparison of the retrieved columns with the global chemistry-transport model IMAGESv2 is also presented, showing good representation of the seasonal and interannual cycles over America, Australia, Asia, and Siberia. A global model underestimation of the distribution

  12. Quantifying atmospheric transport, chemistry, and mixing using a new trajectory-box model and a global atmospheric-chemistry GCM

    OpenAIRE

    H. Riede; Jöckel, P.; Sander, R.

    2009-01-01

    We present a novel method for the quantification of transport, chemistry, and mixing along atmospheric trajectories based on a consistent model hierarchy. The hierarchy consists of the new atmospheric-chemistry trajectory-box model CAABA/MJT and the three-dimensional (3-D) global ECHAM/MESSy atmospheric-chemistry (EMAC) general circulation model. CAABA/MJT employs the atmospheric box model CAABA in a configuration using the atmospheric-chemistry submodel MECCA (M), the photochemistry submodel...

  13. Applications of liquid chromatography coupled to mass spectrometry-based metabolomics in clinical chemistry and toxicology: A review.

    OpenAIRE

    Roux, Aurélie; Lison, Dominique; Junot, Christophe; Heillier, Jean-François

    2011-01-01

    International audience The metabolome is the set of small molecular mass organic compounds found in a given biological media. It includes all organic substances naturally occurring from the metabolism of the studied living organism, except biological polymers, but also xenobiotics and their biotransformation products. The metabolic fingerprints of biofluids obtained by mass spectrometry (MS) or nuclear magnetic resonance (NMR)-based methods contain a few hundreds to thousands of signals re...

  14. The Discourse of Chemistry (and Beyond)

    OpenAIRE

    Jesper Sjöström

    2007-01-01

    This paper discusses the mainstream discourse of chemistry and suggests a complementary discourse. On a disciplinary level, the discourse of chemistry is based on objectivism, rationalism, and molecular reductionism. On a societal level, the discourse is based on modernism. The aims of chemical research and education are often unclear, which nowadays often leads to an emphasis on the needs from industry. Integrating meta-perspectives (philosophical, historical, and socio-cultural) within chem...

  15. Journal of Business Chemistry

    OpenAIRE

    2013-01-01

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

  16. Mathematical Thinking in Chemistry

    OpenAIRE

    José L. Villaveces; Guillermo Restrepo

    2012-01-01

    Mathematical chemistry is often thought to be a 20th-century subdiscipline of chemistry, but in this paper we discuss several early chemical ideas and some landmarks of chemistry as instances of the mathematical way of thinking; many of them before 1900. By the mathematical way of thinking, we follow Weyl's description of it in terms of functional thinking, i.e. setting up variables, symbolizing them, and seeking for functions relating them. The cases we discuss are Plato's triangles, Geoffro...

  17. Orbital interactions in chemistry

    CERN Document Server

    Albright, Thomas A; Whangbo, Myung-Hwan

    2013-01-01

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

  18. Chiral N-phosphonyl imine chemistry:asymmetric additions of glycine enolate to diphenyl diamine-based phosphonyl imines

    Institute of Scientific and Technical Information of China (English)

    PINDI; Suresh; KATTAMURI; Padmanabha; V.

    2010-01-01

    Diphenyl diamine-based phosphonyl imines attached by the N-isopropyl group in the auxiliary have been synthesized in good yields under convenient reaction conditions.These new chiral N-phosphonyl imines can react with glycine enolate smoothly to give chiral α-β diamino esters in good yields(72%-90%) and up to excellent diastereoselectivity(>99:1 dr).By treatment with HBr,the chiral auxiliary can be readily removed.The absolute structure has been unambiguously determined by converting a product to a known sample.

  19. The use of azide-alkyne click chemistry in recent syntheses and applications of polytriazole-based nanostructured polymers

    Science.gov (United States)

    Shi, Yi; Cao, Xiaosong; Gao, Haifeng

    2016-02-01

    The rapid development of efficient organic click coupling reactions has significantly facilitated the construction of synthetic polymers with sophisticated branched nanostructures. This Feature Article summarizes the recent progress in the application of efficient copper-catalyzed and copper-free azide-alkyne cycloaddition (CuAAC and CuFAAC) reactions in the syntheses of dendrimers, hyperbranched polymers, star polymers, graft polymers, molecular brushes, and cyclic graft polymers. Literature reports on the interesting properties and functions of these polytriazole-based nanostructured polymers are also discussed to illustrate their potential applications as self-healing polymers, adhesives, polymer catalysts, opto-electronic polymer materials and polymer carriers for drug and imaging molecules.

  20. The Chemistry Institute

    OpenAIRE

    Fontecave, Marc

    2015-01-01

    Chemistry at the Collège de France has received particular attention over the last few years. After the departures of Profs Jean-Marie Lehn and Jacques Livage, new ambition for developing this discipline has led to the creation of several Chairs: Prof. Marc Fontecave’s Chair of Chemistry of Biological Processes in 2008, Prof. Clément Sanchez’ Chair of Chemistry of Hybrid Materials in 2011, and the Chair of Chemistry of Materials and Energy, which Prof. Jean-Marie Tarascon has held since 2014....

  1. Group theory and chemistry

    CERN Document Server

    Bishop, David M

    1993-01-01

    Group theoretical principles are an integral part of modern chemistry. Not only do they help account for a wide variety of chemical phenomena, they simplify quantum chemical calculations. Indeed, knowledge of their application to chemical problems is essential for students of chemistry. This complete, self-contained study, written for advanced undergraduate-level and graduate-level chemistry students, clearly and concisely introduces the subject of group theory and demonstrates its application to chemical problems.To assist chemistry students with the mathematics involved, Professor Bishop ha

  2. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. This volume contains the following modules: reactor water chemistry (effects of radiation on water chemistry, chemistry parameters), principles of water treatment (purpose; treatment processes [ion exchange]; dissolved gases, suspended solids, and pH control; water purity), and hazards of chemicals and gases (corrosives [acids, alkalies], toxic compounds, compressed gases, flammable/combustible liquids)

  3. Advances in quantum chemistry

    CERN Document Server

    Sabin, John R

    2013-01-01

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

  4. Science Update: Analytical Chemistry.

    Science.gov (United States)

    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)

  5. In-Depth Interfacial Chemistry and Reactivity Focused Investigation of Lithium-Imide- and Lithium-Imidazole-Based Electrolytes.

    Science.gov (United States)

    Eshetu, Gebrekidan Gebresilassie; Diemant, Thomas; Grugeon, Sylvie; Behm, R Jürgen; Laruelle, Stephane; Armand, Michel; Passerini, Stefano

    2016-06-29

    A comparative and in-depth investigation on the reactivity of various Li-based electrolytes and of the solid electrolyte interface (SEI) formed at graphite electrode is carried out using X-ray photoelectron spectroscopy (XPS), chemical simulation test, and differential scanning calorimetry (DSC). The electrolytes investigated include LiX (X = PF6, TFSI, TDI, FSI, and FTFSI), dissolved in EC-DMC. The reactivity and SEI nature of electrolytes containing the relatively new imide (LiFSI and LiFTFSI) and imidazole (LiTDI) salts are evaluated and compared to those of well-researched LiPF6(-) and LiTFSI-based electrolytes. The thermal reactivity of LixC6 in the various electrolytes is found to be in the order of LiFSI > LiTDI > LiTFSI > LiFTFSI > LiPF6 and LiFSI > LiFTFSI > LiPF6 > LiTFSI > LiTDI in terms of onset exothermic temperature and total heat generated, respectively. Surface and depth-profiling XPS analysis of the SEI formed with the diverse electrolyte formulations provide insight into the differences and similarities (composition, thickness, and evolution, etc.) emanating from the structure of the various salt anions. PMID:27299469

  6. Probing the radical chemistry in UV/persulfate-based saline wastewater treatment: kinetics modeling and byproducts identification.

    Science.gov (United States)

    Yuan, Ruixia; Wang, Zhaohui; Hu, Yin; Wang, Baohui; Gao, Simeng

    2014-08-01

    The effect of Cl(-) on the oxidative degradation of Acid Orange 7 (AO7) was investigated in UV/S2O8(2-) system to elucidate the chlorination pathways in saline wastewaters. Lower amount of Cl(-) as well as Br(-) enhanced the decoloration of AO7, but such promotion effect reduced gradually with the increasing halide ion dosage. The dye mineralization was found to be inhibited by Cl(-), especially under acidic conditions. Results of kinetics modeling demonstrated that the fraction of different oxidizing radicals largely depended on the content of Cl(-). At the initial pH of 6.5, Cl2(-) was much more abundant than SO4(-). The significance of Cl2(-) for AO7 degradation increased with the increasing Cl(-) concentration and overwhelmed that of SO4(-) at [Cl(-)]>1mM. Without Cl(-), SO4(-) was the predominant radical for AO7 degradation under acidic conditions, while OH prevailed gradually at higher pH. Under high salinity conditions, more OH can be formed and contributed to the dye degradation especially in alkaline medium, leading to higher destruction efficiency of AO7. Several chlorinated byproducts were detected in the presence of chloride ions, and SO4(-)/Cl2(-)-based degradation pathways of AO7 were proposed. This work provides further understanding of the complex reaction mechanisms for SO4(-)-based advanced oxidation processes in chloride-rich environments.

  7. 基于量子化学的汞的动力学研究%Kinetic Simulation Study on Mercury Oxidation Base on Quantum Chemistry

    Institute of Scientific and Technical Information of China (English)

    王擎; 赵天亮; 柏静儒; 杨博文

    2012-01-01

    近年来,关于汞的污染控制问题越来越引起人们的重视,早期学者也对此做出了积极探索,关于汞的动力学模型的构建逐步完善,取得了与实验符合较好的结果。由于动力学参数的获得极其困难,直到量子化学的引入才有所改观。反应动力学参数的精确掌握对准确描述汞元素在燃烧中的迁移规律有重要作用,并且可以为实践提供切实可依据的参考。本文在前人的研究基础上,结合量子化学软件对部分基元反应的动力学参数重新进行了详细的分析计算,加入了逆反应方向的动力学参数并在新的动力学参数下对汞的迁移规律做出了分析,与先前学者的研究结果比较,取得了较为满意的结果。%Nowadays, mercury pollution control has drawn increasing attention. Previous scholars have made actively exploration on it. The kinetic model of mercury is gradually improved and the experimental results proved its accuracy. Dynamics parameters are very difficult to obtain and this situation has improved until quantum chemistry takes part in it. The kinetic parameters play an important role in representing the migration regularity of Hg in combustion, and provide a practical reference for further applications.. The present work use quantum chemistry software to recalculate the response dynamic parameters more accurately base on previous works. This paper adds the parameters of inverse direction and analyzed the migration regularity of the mercury again using new parameters. The results contrasts with other documents are satisfactory.

  8. Compendium of NASA data base for the global tropospheric experiment's Transport and Atmospheric Chemistry Near the Equator-Atlantic (TRACE-A)

    Science.gov (United States)

    Gregory, Gerald L.; Scott, A. Donald, Jr.

    1995-01-01

    This compendium describes aircraft data that are available from NASA's Transport and Atmospheric Chemistry near the Equator - Atlantic (TRACE-A) conducted in September/October 1992. The broad objectives of TRACE-A were to study chemical processes and long-range transport associated with South American and African continental outflow during periods of widespread vegetation burning, and to understand the ozone enhancements observed from satellite data measured over the southern tropical Atlantic Ocean during the September/October time period. Flight experiments were conducted from Brazil, South Africa, Namibia, and the Ascension Island. This document provides a representation of aircraft data that are available from NASA Langley's Distributed Active Archive Center (DAAC). The data format of time series and altitude profile plots is not intended to support original analyses, but to assist the reader in identifying data that are of interest. This compendium is for only the NASA aircraft data. The DAAC data base includes numerous supporting data-meteorological products, results from surface studies, satellite observations, and data from sonde releases.

  9. 基于泛在学习的有机化学教学模式研究%Research on Organic Chemistry Teaching Model Based on Ubiquitous Learning

    Institute of Scientific and Technical Information of China (English)

    李伟娜; 刘志红

    2016-01-01

    在基于泛在学习的有机化学教学中,以互联网“微时代”下的微信、微课等信息分享、自我表达方式为媒介,构建并实施“创境设疑,自主预习-在线测试,建构新知-汇报分享,体验成功-互动交流,拓展延伸”的教学模式,使学生在轻松、愉快的氛围中不断激发学习兴趣,提高自主学习能力。%Based on the ubiquitous learning theory, a new teaching mode of environment creating and question design, online test for construction of new knowledge, report sharing and success experience, interaction expansion and extension was constructed and carried out in the Organic Chemistry teaching with the help of new media information sharing and self-expression through the way of Wechat and micro-lesson,which can stimulate the learning interest of students and improve the ability of autonomous learning continuously in a relaxed and pleasant atmosphere.

  10. Proton conducting membranes based on semi-interpenetrating polymer network of fluorine-containing polyimide and perfluorosulfonic acid polymer via click chemistry

    International Nuclear Information System (INIS)

    Fluorine-containing polyimide (FPI) with hydroxyl groups is synthesized from 4,4′-(hexafluoro isopropylidene) diphthalic anhydride (6FDA), 2,2-bis (3-amino-4-hydroxyphenyl) hexafluoropropane (6FAP), and 4,4′-diaminodiphenyl ether (ODA) via high temperature polycondensation. Thereafter, alkynyl groups are introduced into FPI. During the preparation of the composite membrane, alkynyl groups on FPI react with azido methyl of 4,4′-bis(azido methyl) biphenyl via click chemistry and form semi-interpenetrating polymer network (semi-IPN) structure within the composite membranes. The mechanical properties, thermal behavior, water uptake, swelling ratio, proton conductivity, oxidative stability, as well as the performance in single cell operation are investigated. Compared to pure perfluorosulfonic acid (PFSA) polymer membrane, the composite membranes based on semi-IPN of FPI and PFSA exhibit improved mechanical properties, excellent thermal and dimensional stabilities, and suitable proton conductivity. The tensile strength of the composite membranes ranges from 28.0 to 67.0 MPa. With increasing FPI content in the membranes, the dimensional stability of the composite membranes increases. The composite membranes have the proton conductivity from 4.3 × 10−2 S·cm−1 to 1.0 × 10−1 S·cm−1 at 100 °C and also have good performances as proton exchange membrane (PEM) in single cell at 80 °C

  11. Reflection on the Construction of Chemistry School-based Curriculum in Rural Middle School%对农村中学化学校本课程建设的几点思考

    Institute of Scientific and Technical Information of China (English)

    张剑

    2011-01-01

    The construction of school-based curriculum is an important component part in new textbook curriculum construction. This paper expounds how to construct chemistry school-based curriculum with local characteristics according to educational resources and some problems worthy of notice in the construction of chemistry school-based curriculum in rural middle school.%校本课程的建设是新教材课程建设的重要组成部分。本文从八个方面论述了农村中学如何依据教育资源建设具有地方特色的化学校本课程以及农村中学化学校本课程建设应注意的问题。

  12. Open access and medicinal chemistry

    OpenAIRE

    Swain Chris

    2007-01-01

    Abstract Chemistry Central is a new open access website for chemists publishing peer-reviewed research in chemistry from a range of open access journals. A new addition, Chemistry Central Journal, will cover all of chemistry and will be broken down into discipline-specific sections, and Im delighted that Medicinal Chemistry will be a key discipline in this new journal.

  13. Annual report 1988 Chemistry Department

    International Nuclear Information System (INIS)

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1988 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

  14. Annual report 1989 Chemistry Department

    International Nuclear Information System (INIS)

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1989 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

  15. Annual report 1986 chemistry department

    International Nuclear Information System (INIS)

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1986 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistral, mineral processing, and general. (author)

  16. Determination of copper(II) in the dairy product by an electrochemical sensor based on click chemistry.

    Science.gov (United States)

    Qiu, Suyan; Xie, Lidan; Gao, Sen; Liu, Qida; Lin, Zhenyu; Qiu, Bin; Chen, Guonan

    2011-11-30

    Herein, a novel sensitive electrochemical sensor for copper(II) based on Cu(I) catalyzed alkyne-azide cycloaddition reaction (CuAAC) is described. The catalyst of Cu(I) species is derived from electrochemical reduction of Cu(II) through bulk electrolysis (BE) with coulometry technique. The propargyl-functionalized ferrocene (propargyl-functionalized Fc) is covalently coupled onto the electrode surface via CuAAC reaction and forms propargyl-functionalized Fc modified gold electrode, which allows a good and stable electrochemical signal. The change of current at peak (dI), detected by differential pulse voltammetry (DPV), exhibits a linear response to the logarithm of Cu(II) concentration in the range of 1.0×10(-14)-1.0×10(-9) mol L(-1). It is also found that the proposed sensor has a good selectivity for copper(II) assay even in the presence of other common metal ions. Additionally, the proposed method has been applied to determine copper(II) in the dairy product (yoghurt) with satisfactory results.

  17. Chemistry, photophysics, and ultrafast kinetics of two structurally related Schiff bases containing the naphthalene or quinoline ring

    Science.gov (United States)

    Fita, P.; Luzina, E.; Dziembowska, T.; Radzewicz, Cz.; Grabowska, A.

    2006-11-01

    The two structurally related Schiff bases, 2-hydroxynaphthylidene-(8-aminoquinoline) (HNAQ) and 2-hydroxynaphthylidene-1'-naphthylamine (HNAN), were studied by means of steady-state and time resolved optical spectroscopies as well as time-dependent density functional theory (TDDFT) calculations. The first one, HNAQ, is stable as a keto tautomer in the ground state and in the excited state in solutions, therefore it was used as a model of a keto tautomer of HNAN which exists mainly in its enol form in the ground state at room temperature. Excited state intramolecular proton transfer in the HNAN molecule leads to a very weak (quantum yield of the order of 10-4) strongly Stokes-shifted fluorescence. The characteristic time of the proton transfer (about 30fs) was estimated from femtosecond transient absorption data supported by global analysis and deconvolution techniques. Approximately 35% of excited molecules create a photochromic form whose lifetime was beyond the time window of the experiment (2ns). The remaining ones reach the relaxed S1 state (of a lifetime of approximately 4ps), whose emission is present in the decay associated difference spectra. Some evidence for the back proton transfer from the ground state of the keto form with the characteristic time of approximately 13ps was also found. The energies and orbital characteristics of main electronic transitions in both molecules calculated by TDDFT method are also discussed.

  18. Changes in meltwater chemistry over a 20-year period following a thermal regime switch from polythermal to cold-based glaciation at Austre Brøggerbreen, Svalbard

    Directory of Open Access Journals (Sweden)

    Aga Nowak

    2014-10-01

    Full Text Available Our long-term study gives a rare insight into meltwater hydrochemistry following the transition of Austre Brøggerbreen from polythermal to cold-based glaciation and its continued retreat. We find that the processes responsible for ion acquisition did not change throughout the period of records but became more productive. Two regimes before and after July/August 2000 were identified from changes in solute concentrations and pH. They resulted from increased chemical weathering occurring in ice-marginal and proglacial environments that have become progressively exposed by glacier retreat. Carbonate carbonation nearly doubled between 2000 and 2010, whilst increases in the weathering of silicate minerals were also marked. In addition, the end of ablation season chemistry was characterized by reactions in long residence time flow paths like those in subglacial environments, in spite of their absence in the watershed. Furthermore, the retreat of the glacier caused the sudden re-routing of meltwaters through its immediate forefield during 2009, which more than doubled crustal ion yields in this particular year and influenced chemical weathering in 2010 regardless of a low water flux. Such a “flush” of crustally derived ions can be meaningful for downstream terrestrial and marine ecosystems. We therefore find that, during glacier retreat, the recently exposed forefield is the most chemically active part of the watershed, making high rates of weathering possible, even when ice losses have caused a switch to cold-based conditions with no delayed subglacial drainage flowpaths. In addition, the drainage system reorganization events result in significant pCO2 depletion in an otherwise high pCO2 system.

  19. Physical Chemistry of Molecular

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    @@ Established in 2009, the group consists of six researchers and more than 70 research assistants and graduate students from the CAS Key Laboratory of Molecular Nanostructures and Nanotechnologies at the CAS Institute of Chemistry.Its research focuses on the physical chemistry involved in molecular assembly, molecular nanostructures, functional nanomaterials and conceptual nano-devices.

  20. The Breath of Chemistry

    DEFF Research Database (Denmark)

    Josephsen, Jens

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

  1. Career Options in Chemistry.

    Science.gov (United States)

    Belloli, Robert C.

    1985-01-01

    Describes a credit/no credit course which focuses on career options in chemistry. The course (consisting of 15 one-hour seminar-type sessions) includes guest speakers for several sessions and an emphasis (in introductory sessions) on graduate school in chemistry, the chemical industry, resumes, and interviews. Also briefly describes an internship…

  2. Exercises in Computational Chemistry

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens

    2016-01-01

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

  3. Chemistry of americium

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, W.W.

    1976-01-01

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

  4. Based on Five Years of Physical Chemistry Teaching in Vocational Integration Scenarios%基于工作情境的五年高职物理化学教学整合

    Institute of Scientific and Technical Information of China (English)

    眭惟红

    2016-01-01

    Physical chemistry as chemistry,chemical engineering professional courses,four basic chemistry chemical engineering is the most difficult courses,students logical thinking and high computing power requirements,in order to stimulate students’ interest in learning,improve their analysis and ability to solve problems,I try to ammonia process as an example of the physical chemistry curriculum-based integration work context,theory and practice linked to achieve mastery,and achieved good results.%物理化学作为化学、化工专业的必修课,是化工专业四大基础化学中最难的课程,对学生的逻辑思维和运算能力要求极高,为了激发学生的学习兴趣,提高学生分析和解决问题的能力,笔者尝试以合成氨的工艺为例对物理化学课程进行基于工作情境的整合,将理论与实践联系起来,做到融会贯通,取得了较好的效果。

  5. Mathematical Thinking in Chemistry

    Directory of Open Access Journals (Sweden)

    José L. Villaveces

    2012-05-01

    Full Text Available Mathematical chemistry is often thought to be a 20th-century subdiscipline of chemistry, but in this paper we discuss several early chemical ideas and some landmarks of chemistry as instances of the mathematical way of thinking; many of them before 1900. By the mathematical way of thinking, we follow Weyl's description of it in terms of functional thinking, i.e. setting up variables, symbolizing them, and seeking for functions relating them. The cases we discuss are Plato's triangles, Geoffroy's affinity table, Lavoisier's classification of substances and their relationships, Mendeleev's periodic table, Cayley's enumeration of alkanes, Sylvester's association of algebra and chemistry, and Wiener's relationship between molecular structure and boiling points. These examples show that mathematical chemistry has much more than a century of history.

  6. HISTORICAL DEVELOPMENTS IN WOOD CHEMISTRY

    OpenAIRE

    YOUNG, Raymond A.

    2009-01-01

    Wood are one of the most important raw material source for forest products industry. Due to technological developments, researchers in the area of wood chemistry have been showing increased interest in the benefits of utilization wood based materials alone or together as an alternative lignocellulosic fiber sources for forest products industry. However, utilization of woody matrials more efficiently and conservation natural resources have been paid special attention. For that reason...

  7. Wood products and green chemistry

    OpenAIRE

    Antonio PIZZI

    2016-01-01

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

  8. Laser ablation in analytical chemistry.

    Science.gov (United States)

    Russo, Richard E; Mao, Xianglei; Gonzalez, Jhanis J; Zorba, Vassilia; Yoo, Jong

    2013-07-01

    In 2002, we wrote an Analytical Chemistry feature article describing the Physics of Laser Ablation in Microchemical Analysis. In line with the theme of the 2002 article, this manuscript discusses current issues in fundamental research, applications based on detecting photons at the ablation site (LIBS and LAMIS) and by collecting particles for excitation in a secondary source (ICP), and directions for the technology. PMID:23614661

  9. Abiotic and prebiotic phosphorus chemistry

    OpenAIRE

    Micheletti, Gabriele

    2011-01-01

    The chief obstacle to understand the metabolic origin of life or RNA-based life is to identify a plausible mechanism for overcoming the clutter wrought by abiotic chemistry. Probably trough simple abiotic and then prebiotic reactions we could arrive to simple pre-RNA molecules. Here we report a possible preibiotic synthesis for heterocyclic compounds, and a self-assembling process of adenosine phosphates a constituent of RNA. In these processes we use a simple and prebiotic phosphorus cyc...

  10. Archean spherule classification of CT3 drill core, Barberton Greenstone Belt (South Africa) based on petrography and mineral chemistry

    Science.gov (United States)

    Ozdemir, Seda; Koeberl, Christian; Mohr-Westheide, Tanja; Reimold, W. Uwe; Hofmann, Axel

    2016-04-01

    The impact history of the Early Archean Earth is not well documented. The oldest known impact structure is about 2 Ga years old; impact-related signatures in Precambrian rocks are scarce. The possible impact signature might be the Archean spherule layers that occur in the Barberton Greenstone Belt (BGB), Kaapvaal Craton, South Africa, and in the Pilbara Craton Western Australia, with ages of 3.2-3.4 and around 2.5 Ga [1]. These spherules were interpreted as impact-generated and ballistically emplaced silicate melt droplets [2]. This study is focused on petrographic and mineralogical characteristics from a set of newly drilled Archean spherule layers in drill core CT3 from the northeastern part of the BGB. The investigation of the three main intervals (A, B, and C, which include 2, 13, and 2 individual spherule layers, respectively) within CT3, contains the classification of spherules based on their shapes, textural features, deformation types, and mineral content. All of the intervals show spherule variation in those features. Therefore, the classification helps to understand if the spherules underwent processes such as tectonic deformation or if multiple impact events occurred in the area, which both might a reason of spherule layer duplications. The aim of the work is to differentiate various spherule types and the groundmasses in which they are embedded. The spherules within 17 identified spherule layers have been examined by optical microscopy (polarized and reflected) and secondary electron microscopy and were classified by shape and textural features. Subsequently, mineral phases and the chemical composition of the spherules and their matrices were investigated by using electron microprobe analysis. Regarding the shapes of the spherules they were divided into two main groups: undeformed and deformed. Undeformed spherules have spherical to ovoid as well as tear-drop shapes; deformed spherules were further subdivided into three main groups; flattened, crushed

  11. System approach to chemistry course

    OpenAIRE

    Lorina E. Kruglova; Valentina G. Derendyaeva

    2010-01-01

    The article considers the raise of chemistry profile for engineers and constructors training, discloses the system approach to chemistry course and singles out the most important modules from the course of general chemistry for construction industry.

  12. Korean Kimchi Chemistry: A Multicultural Chemistry Connection

    Science.gov (United States)

    Murfin, Brian

    2009-01-01

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

  13. The Conceptions of Chemistry Teachers about Teaching and Learning in the Context of a Curriculum Innovation

    Science.gov (United States)

    van Driel, Jan H.; Bulte, Astrid M. W.; Verloop, Nico

    2005-01-01

    In this paper, we report on a study of the beliefs of chemistry teachers about the teaching and learning of chemistry in upper secondary education in The Netherlands. This study was conducted in the context of the planning of a national revision of the chemistry curriculum towards a context-based approach. Chemistry teachers' beliefs were…

  14. Annual report 1987 Chemistry Department

    International Nuclear Information System (INIS)

    This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1987 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistry, mineral processing, and general. 13 ills., (author)

  15. Annual report 1982 chemistry department

    International Nuclear Information System (INIS)

    The work going on in the Risoe National Laboratory, Chemistry Department is briefly surveyed by a presentation of all articles and reports published in 1982. The facilities and equipment are barely mentioned. The papers are divided into eight activities: 1. neutron activation analysis 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry 6. radical chemistry 7. poitron annihilation 8. uranium process chemistry. (author)

  16. Conducting water chemistry of the secondary coolant circuit of VVER-based nuclear power plant units constructed without using copper containing alloys

    Science.gov (United States)

    Tyapkov, V. F.

    2014-07-01

    The secondary coolant circuit water chemistry with metering amines began to be put in use in Russia in 2005, and all nuclear power plant units equipped with VVER-1000 reactors have been shifted to operate with this water chemistry for the past seven years. Owing to the use of water chemistry with metering amines, the amount of products from corrosion of structural materials entering into the volume of steam generators has been reduced, and the flow-accelerated corrosion rate of pipelines and equipment has been slowed down. The article presents data on conducting water chemistry in nuclear power plant units with VVER-1000 reactors for the secondary coolant system equipment made without using copper-containing alloys. Statistical data are presented on conducting ammonia-morpholine and ammonia-ethanolamine water chemistries in new-generation operating power units with VVER-1000 reactors with an increased level of pH. The values of cooling water leaks in turbine condensers the tube system of which is made of stainless steel or titanium alloy are given.

  17. Enhancing Students’ Motivation to Learn Chemistry

    OpenAIRE

    Sharaabi-Naor, Yamit; Kesner, Miri; Shwartz, Yael

    2014-01-01

    The interest, attitudes, and motivation of students towards science learning decreases over time, especially during the middle school years. In order to increase students’ motivation to learn chemistry, a national program «Chemistry, Industry, and the Environment in the eyes of the individual and society» has been designed to integrate three main components: (1) a competition format; (2) a context-based approach, and (3) Project- ased learning (PBL). Literature supports the effectivenes...

  18. The twelve principles of CO2 Chemistry

    OpenAIRE

    Poliakoff, Martyn; Leitner, Walter; Streng, Emelia S.

    2015-01-01

    This paper introduces a set of 12 Principles, based on the acronym CO2 CHEMISTRY, which are intended to form a set of criteria for assessing the viability of different processes or reactions for using CO2 as a feedstock for making organic chemicals. The principles aim to highlight the synergy of Carbon Dioxide Utilisation (CDU) with the components of green and sustainable chemistry as well as briefly pointing out the connection to the energy sector.

  19. Medicinal Chemistry and the Pharmacy Curriculum

    OpenAIRE

    Faruk Khan, M.O.; Deimling, Michael J.; Philip, Ashok

    2011-01-01

    The origins and advancements of pharmacy, medicinal chemistry, and drug discovery are interwoven in nature. Medicinal chemistry provides pharmacy students with a thorough understanding of drug mechanisms of action, structure-activity relationships (SAR), acid-base and physicochemical properties, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles. A comprehensive understanding of the chemical basis of drug action equips pharmacy students with the ability to answ...

  20. Annual Report 1984. Chemistry Department

    DEFF Research Database (Denmark)

    Funck, Jytte; Nielsen, Ole John

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

  1. A Discovery-Based Experiment Involving Rearrangement in the Conversion of Alcohols to Alkyl Halides: Permanent Magnet [to the thirteenth power]C NMR in the First-Semester Organic Chemistry Lab

    Science.gov (United States)

    Kjonaas, Richard A.; Tucker, Ryand J. F.

    2008-01-01

    The use of permanent magnet [to the thirteenth power]C NMR in large-section first-semester organic chemistry lab courses is limited by the availability of experiments that not only hinge on first-semester lecture topics, but which also produce at least 0.5 mL of neat liquid sample. This article reports a discovery-based experiment that meets both…

  2. School Chemistry: The Need for Transgression

    Science.gov (United States)

    Talanquer, Vicente

    2013-07-01

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

  3. Modelling transport and transformation of mercury fractions in heavily contaminated mountain streams by coupling a GIS-based hydrological model with a mercury chemistry model.

    Science.gov (United States)

    Lin, Yan; Larssen, Thorjørn; Vogt, Rolf D; Feng, Xinbin; Zhang, Hua

    2011-10-01

    Many heavily polluted areas are located in remote regions that lack routine hydrologic monitoring. A modelling method that can produce scenarios of water chemistry trends for regions that lack hydrological data is therefore needed. The Wanshan mining area, in Guizhou province in south-western China, is such a region, as it is heavily polluted with mercury (Hg). In order to model Hg transport in a stream draining the Wanshan mining area, a Geographic Information System (GIS) hydrologic model (HEC-HMS) was coupled with a simulation model for Hg fractions in water (WASP Hg). Hydrological variations in the stream flow can thereby be simulated based on readily available precipitation data. The WASP 7 MERC Hg model was used for simulating variations in total Hg, dissolved Hg and methyl-Hg concentrations. The results of HEC-HMS modelling of flow show clear seasonal variation. Winter (Oct-Dec) constitutes the dry season with low flow, while the summer season (Jun-Aug) is rainy with high flow. 48% of total annual precipitation happens in the three summer months. The stream flows at the high flow events were several times higher than normal flow. The modelled total suspended solids and Hg concentrations were tested against monitoring data from two sampling campaigns conducted in September 2007 and August 2008. The model produced reasonable simulations for TSS, THg, DHg and MeHg, with relative errors generally around 10% for the modelled parameters. High flow events are the main contributors for release of both suspended particles and Hg. The three high flow events account for about 50% of annual discharge of THg. The annual total discharge of Hg was 8.8 kg Hg high up in the stream and 2.6 kg where the stream meets a large river 20 km downstream of the pollution source. Hence, about 70% of Hg is retained in the stream through sedimentation.

  4. A tropospheric chemistry reanalysis for the years 2005-2014 based on an assimilation of OMI, MLS, TES and MOPITT satellite data

    Science.gov (United States)

    Miyazaki, K.; Eskes, H.; Sudo, K.

    2015-12-01

    I will present the results from a ten-year tropospheric chemistry reanalysis for the period 2005-2014 obtained by assimilating multiple data sets from the OMI, MLS, TES, and MOPITT satellite instruments. The reanalysis calculation was conducted using a global CTM and an EnKF data assimilation approach that simultaneously optimises the chemical concentrations of various species and emissions of several precursors. The optimisation of both the multiple species concentration and the emission fields is an efficient method to correct the entire tropospheric profile and its year-to-year variations, and to adjust various tracers chemically linked to the species assimilated, while taking their feedbacks into account. Comparisons against independent aircraft, satellite, and ozonesonde observations demonstrate the quality of the analysed O3, NO2, and CO concentrations on regional and global scales and for both seasonal and year-to-year variations from the lower troposphere to the lower stratosphere. The northern/southern hemisphere OH ratio was modified considerably due to the multiple species assimilation and became closer to an observational estimate, which played an important role in propagating observational information among various chemical fields and affected the emission estimates. In comparison to the a priori emissions based on bottom-up inventories, the optimized surface NOx emissions were higher over eastern China, the eastern United States, southern Africa, and central-western Europe, suggesting that the anthropogenic emissions are mostly underestimated in the inventories. In addition, the seasonality and year-to-year variability of the estimated emissions differed from that of the a priori emission over both industrial and biomass burning areas. The assimilation of multiple chemical data sets with different vertical sensitivity profiles also provides comprehensive constraints on the global lightning NOx source while improving the representations of the entire

  5. Moderator Chemistry Program

    International Nuclear Information System (INIS)

    Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department's moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation

  6. Moderator Chemistry Program

    Energy Technology Data Exchange (ETDEWEB)

    Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.

    1990-11-01

    Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department's moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation.

  7. Moderator Chemistry Program

    Energy Technology Data Exchange (ETDEWEB)

    Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.

    1990-11-01

    Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department`s moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation.

  8. Chloramine chemistry - web based application

    Science.gov (United States)

    Chlorine disinfection remains quite popular in the United States, but because of the Stage 1 and Stage 2 Disinfectants and Disinfection Byproducts Rules, many United States utilities now use combinations of chlorine and chloramines to avoid excessive regulated trihalomethane and ...

  9. 物理化学的概念教学的启发式模式的构建%Constructing a Heurism-based Model for Teaching Conception in Physical Chemistry

    Institute of Scientific and Technical Information of China (English)

    余传波; 邓建梅

    2014-01-01

    By the analysis of teaching content and teaching mode of physical chemistry , based on the mistakes of statement concept in the textbook and teaching concept in the classroom , and combined with the teaching story of the physical chemist Gibbs , a “series heurism based on natural” model for teaching conception in physical chemistry was constructed , which took teaching of the concept of "enthalpy"as an example , transformed college into intuition , and got the good teaching effect.The heurism -based model was an important reference for teaching conception in Physical Chemistry.%通过对目前物理化学教材内容和讲授模式的分析,针对在概念著述和课堂讲授中存在的误区,结合物理化学家吉布斯的启发式教学典故,本文构建一种“立足客观自然、环环相扣启发”的概念教学模式,以“焓”概念的讲授为例,化抽象为直观,收了良好的教学效果。启发式模式对当前物理化学的概念教学有重要的参考价值。

  10. Alcohol combustion chemistry

    KAUST Repository

    Sarathy, Mani

    2014-10-01

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

  11. The impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere – Part 2: Stratospheric ozone

    Directory of Open Access Journals (Sweden)

    A. A. Rockett

    2012-08-01

    Full Text Available The prospective future adoption of hydrogen to power the road transportation sector could greatly improve tropospheric air quality but also raises the question whether the adoption would have adverse effects on stratospheric ozone. The possibility of these undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050 H2-based road transportation sector on stratospheric composition and chemistry, especially on stratospheric ozone, with the MOZART chemical transport model. Since future growth is highly uncertain we evaluate the impact for two world evolution scenarios, one based on a high emitting scenario (IPCC A1FI and the other on a low emitting scenario (IPCC B1, as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario the world evolves and which H2 technology option is applied. For the same world evolution scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two scenarios fall between the above two bounding scenarios. However, the magnitude of

  12. Impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere - Part 2: Stratospheric ozone

    Science.gov (United States)

    Wang, D.; Jia, W.; Olsen, S. C.; Wuebbles, D. J.; Dubey, M. K.; Rockett, A. A.

    2013-07-01

    The prospective future adoption of molecular hydrogen (H2) to power the road transportation sector could greatly improve tropospheric air quality but also raises the question of whether the adoption would have adverse effects on the stratospheric ozone. The possibility of undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050) H2-based road transportation sector on stratospheric composition and chemistry, especially on the stratospheric ozone, with the MOZART (Model for OZone And Related chemical Tracers) model. Since future growth is highly uncertain, we evaluate the impact of two world evolution scenarios, one based on an IPCC (Intergovernmental Panel on Climate Change) high-emitting scenario (A1FI) and the other on an IPCC low-emitting scenario (B1), as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario evolves and which H2 technology option is applied. For the evolution growth scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two scenarios fall

  13. The impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere - Part 2: Stratospheric ozone

    Science.gov (United States)

    Wang, D.; Jia, W.; Olsen, S. C.; Wuebbles, D. J.; Dubey, M. K.; Rockett, A. A.

    2012-08-01

    The prospective future adoption of hydrogen to power the road transportation sector could greatly improve tropospheric air quality but also raises the question whether the adoption would have adverse effects on stratospheric ozone. The possibility of these undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050) H2-based road transportation sector on stratospheric composition and chemistry, especially on stratospheric ozone, with the MOZART chemical transport model. Since future growth is highly uncertain we evaluate the impact for two world evolution scenarios, one based on a high emitting scenario (IPCC A1FI) and the other on a low emitting scenario (IPCC B1), as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario the world evolves and which H2 technology option is applied. For the same world evolution scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two scenarios fall between the above two bounding scenarios. However, the magnitude of these changes is

  14. Impact of a future H2-based road transportation sector on the composition and chemistry of the atmosphere – Part 2: Stratospheric ozone

    Directory of Open Access Journals (Sweden)

    D. Wang

    2013-07-01

    Full Text Available The prospective future adoption of molecular hydrogen (H2 to power the road transportation sector could greatly improve tropospheric air quality but also raises the question of whether the adoption would have adverse effects on the stratospheric ozone. The possibility of undesirable impacts must be fully evaluated to guide future policy decisions. Here we evaluate the possible impact of a future (2050 H2-based road transportation sector on stratospheric composition and chemistry, especially on the stratospheric ozone, with the MOZART (Model for OZone And Related chemical Tracers model. Since future growth is highly uncertain, we evaluate the impact of two world evolution scenarios, one based on an IPCC (Intergovernmental Panel on Climate Change high-emitting scenario (A1FI and the other on an IPCC low-emitting scenario (B1, as well as two technological options: H2 fuel cells and H2 internal combustion engines. We assume a H2 leakage rate of 2.5% and a complete market penetration of H2 vehicles in 2050. The model simulations show that a H2-based road transportation sector would reduce stratospheric ozone concentrations as a result of perturbed catalytic ozone destruction cycles. The magnitude of the impact depends on which growth scenario evolves and which H2 technology option is applied. For the evolution growth scenario, stratospheric ozone decreases more in the H2 fuel cell scenarios than in the H2 internal combustion engine scenarios because of the NOx emissions in the latter case. If the same technological option is applied, the impact is larger in the A1FI emission scenario. The largest impact, a 0.54% decrease in annual average global mean stratospheric column ozone, is found with a H2 fuel cell type road transportation sector in the A1FI scenario; whereas the smallest impact, a 0.04% increase in stratospheric ozone, is found with applications of H2 internal combustion engine vehicles in the B1 scenario. The impacts of the other two

  15. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

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

  16. Experiments in physical chemistry

    CERN Document Server

    Wilson, J M; Denaro, A R

    1968-01-01

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

  17. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    The Chemistry Handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. The handbook includes information on the atomic structure of matter; chemical bonding; chemical equations; chemical interactions involved with corrosion processes; water chemistry control, including the principles of water treatment; the hazards of chemicals and gases, and basic gaseous diffusion processes. This information will provide personnel with a foundation for understanding the chemical properties of materials and the way these properties can impose limitations on the operation of equipment and systems

  18. Spatially Resolved Artificial Chemistry

    DEFF Research Database (Denmark)

    Fellermann, Harold

    2009-01-01

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

  19. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G

    2013-01-01

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

  20. Chemistry and metallurgy of plutonium

    International Nuclear Information System (INIS)

    Plutonium is a strategic element with unique chemistry and metallurgy. It has five valence states with close redox potentials and many of them coexist in solutions. It is a hard Lewis acid and forms strong complexes with hard Lewis bases. Its redox and complexing characteristics are useful in its separation and analytical chemistry. Plutonium metal has several allotropic forms even though its melting point is only 639.5℃. It is a metal with very high density and one of the few metals which shrinks on heating. It holds promise of abundant nuclear energy, but also has potential for being diverted towards nuclear explosive devices. This paper is a brief compilation from available literature. (author)

  1. Amphoteric Aqueous Hafnium Cluster Chemistry.

    Science.gov (United States)

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

    2016-05-17

    Selective dissolution of hafnium-peroxo-sulfate films in aqueous tetramethylammonium hydroxide enables extreme UV lithographic patterning of sub-10 nm HfO2 structures. Hafnium speciation under these basic conditions (pH>10), however, is unknown, as studies of hafnium aqueous chemistry have been limited to acid. Here, we report synthesis, crystal growth, and structural characterization of the first polynuclear hydroxo hafnium cluster isolated from base, [TMA]6 [Hf6 (μ-O2 )6 (μ-OH)6 (OH)12 ]⋅38 H2 O. The solution behavior of the cluster, including supramolecular assembly via hydrogen bonding is detailed via small-angle X-ray scattering (SAXS) and electrospray ionization mass spectrometry (ESI-MS). The study opens a new chapter in the aqueous chemistry of hafnium, exemplifying the concept of amphoteric clusters and informing a critical process in single-digit-nm lithography. PMID:27094575

  2. Areva's water chemistry guidebook with chemistry guidelines for next generation plants (AREVA EPRTM reactors)

    International Nuclear Information System (INIS)

    Over the years, AREVA globally has maintained a strong expertise in LWR water chemistry and has been focused on minimizing short-term and long-term detrimental effects of chemistry for startup, operation and shutdown chemistry for all key plant components (material integrity and reliability, promote optimal thermal performances, etc.) and fuel. Also AREVA is focused on minimizing contamination and equipment/plant dose rates. Current Industry Guidelines (EPRI, VGB, etc.) provide utilities with selected chemistry guidance for the current operating fleet. With the next generation of PWR plants (e.g. AREVA's EPRTM reactor), materials of construction and design have been optimized based on industry lessons learned over the last 50+ years. To support the next generation design, AREVA water chemistry experts, have subsequently developed a Chemistry Guidebook with chemistry guidelines based on an analysis of the current international practices, plant operating experience, R and D data and calculation codes now available and/or developed by AREVA. The AREVA LWR chemistry Guidebook can be used to help resolve utility and safety authority questions and addresses regulation requirement questions/issues for next generation plants. The Chemistry Guidebook provides water chemistry guidelines for primary coolant, secondary side circuit and auxiliary systems during startup, normal operation and shutdown conditions. It also includes conditioning and impurity limits, along with monitoring locations and frequency requirements. The Chemistry Guidebook Guidelines will be used as a design reference for AREVA's next generation plants (e.g. EPRTM reactor). (authors)

  3. High School Chemistry Instructional Practices and Their Association with College Chemistry Grades

    Science.gov (United States)

    Tai, Robert H.; Sadler, Philip M.

    2007-06-01

    This large-scale survey study looks for connections between high school chemistry classroom instructional practices and the performance of these students in introductory college chemistry. Based on survey data collected from over 3000 students in 31 different colleges and universities, the results indicate that students who reported higher frequencies of high school chemistry experiences such as peer teaching and “everyday” (i.e., common) examples, on the average, earned higher college grades. However, students who reported higher frequencies of demonstrations and individual work among other indicators, on the average, earned lower grades. Overall, the results suggest that peer engagement in high school chemistry may be associated with success in college chemistry.

  4. Evaluation of the inter-annual variability of stratospheric chemical composition in chemistry-climate models using ground-based multi species time series

    Science.gov (United States)

    Poulain, V.; Bekki, S.; Marchand, M.; Chipperfield, M. P.; Khodri, M.; Lefèvre, F.; Dhomse, S.; Bodeker, G. E.; Toumi, R.; De Maziere, M.; Pommereau, J.-P.; Pazmino, A.; Goutail, F.; Plummer, D.; Rozanov, E.; Mancini, E.; Akiyoshi, H.; Lamarque, J.-F.; Austin, J.

    2016-07-01

    The variability of stratospheric chemical composition occurs on a broad spectrum of timescales, ranging from day to decades. A large part of the variability appears to be driven by external forcings such as volcanic aerosols, solar activity, halogen loading, levels of greenhouse gases (GHG), and modes of climate variability (quasi-biennial oscillation (QBO), El Niño-Southern Oscillation (ENSO)). We estimate the contributions of different external forcings to the interannual variability of stratospheric chemical composition and evaluate how well 3-D chemistry-climate models (CCMs) can reproduce the observed response-forcing relationships. We carry out multivariate regression analyses on long time series of observed and simulated time series of several traces gases in order to estimate the contributions of individual forcings and unforced variability to their internannual variability. The observations are typically decadal time series of ground-based data from the international Network for the Detection of Atmospheric Composition Change (NDACC) and the CCM simulations are taken from the CCMVal-2 REF-B1 simulations database. The chemical species considered are column O3, HCl, NO2, and N2O. We check the consistency between observations and model simulations in terms of the forced and internal components of the total interannual variability (externally forced variability and internal variability) and identify the driving factors in the interannual variations of stratospheric chemical composition over NDACC measurement sites. Overall, there is a reasonably good agreement between regression results from models and observations regarding the externally forced interannual variability. A much larger fraction of the observed and modelled interannual variability is explained by external forcings in the tropics than in the extratropics, notably in polar regions. CCMs are able to reproduce the amplitudes of responses in chemical composition to specific external forcings

  5. Chemistry at large

    Directory of Open Access Journals (Sweden)

    Jeremy. K.M. Sanders

    2007-06-01

    Full Text Available A new book introduces young researchers to supramolecular chemistry, starting from the basics and working up to the more complicated aspects of the topic. While the text is inspiring for new graduates, it lacks a critical view.

  6. Chemistry for Kids.

    Science.gov (United States)

    Sato, Sanae; Majoros, Bela

    1988-01-01

    Reports two methods for interesting children in chemistry. Describes a method for producing large soap bubbles and films for study. Examines the use of simple stories to explain common chemical concepts with example given. Lists titles of available stories. (ML)

  7. Bringing chemistry to life

    OpenAIRE

    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.

  8. Beauty in chemistry

    Directory of Open Access Journals (Sweden)

    Peter Atkins

    2006-03-01

    Full Text Available Though hard going for the general reader and highly personal in its selectivity, Elegant Solutions: Ten Beautiful Experiments in Chemistry provides reflections of a thoughtful author that will delight chemists

  9. Magnetism in Chemistry

    Science.gov (United States)

    Brookes, R. W.; McFadyen, W. D.

    1975-01-01

    Discusses the technical aspects of paramagnetism and an electrostatic model called Crystal Field Theory (CFT), very often used in the case of transition metal compounds. Suggests that this discussion be included as an option for college chemistry courses. (MLH)

  10. Beauty in chemistry

    OpenAIRE

    Peter Atkins

    2006-01-01

    Though hard going for the general reader and highly personal in its selectivity, Elegant Solutions: Ten Beautiful Experiments in Chemistry provides reflections of a thoughtful author that will delight chemists

  11. Supplemental instruction in chemistry

    Science.gov (United States)

    Lundeberg, Mary A.

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

  12. Chemistry at large

    OpenAIRE

    Sanders, Jeremy K. M.

    2007-01-01

    A new book introduces young researchers to supramolecular chemistry, starting from the basics and working up to the more complicated aspects of the topic. While the text is inspiring for new graduates, it lacks a critical view.

  13. Water Chemistry: Seeking Information

    Science.gov (United States)

    Delfino, Joseph J.

    1977-01-01

    A survey of the available literature in water chemistry is presented. Materials surveyed include: texts, reference books, bibliographic resources, journals, American Chemical Society publications, proceedings, unpublished articles, and reports. (BT)

  14. PREFACE: 10th Joint Conference on Chemistry

    Science.gov (United States)

    2016-02-01

    The 10th Joint Conference on Chemistry is an international conference organized by 4 chemistry departments of 4 universities in central Java, Indonesia. The universities are Sebelas Maret University, Diponegoro University, Semarang State University and Soedirman University. The venue was at Solo, Indonesia, at September 8-9, 2015. The total conference participants are 133 including the invited speakers. The conference emphasized the multidisciplinary chemical issue and impact of today's sustainable chemistry which covering the following topics: • Material innovation for sustainable goals • Development of renewable and sustainable energy based on chemistry • New drug design, experimental and theoretical methods • Green synthesis and characterization of material (from molecule to functionalized materials) • Catalysis as core technology in industry • Natural product isolation and optimization

  15. Analytical Chemistry Teaching Reform Based on Innovative Talents Training%基于创新人才培养的分析化学教学改革

    Institute of Scientific and Technical Information of China (English)

    何静

    2015-01-01

    This article selects Analytical Chemistry Teaching reform under the conditions of innovative talents training as the key of present study, combined with the author practical experience, first introduced in Analytical Chemistry Teaching in Universities constraining factor, and then deeply analyze the analytical chemistry teaching reform program innovative talents training environment, looking through the optimization of analytical chemistry teaching reform path, to carry out chemical analysis on the future of teaching practice reference recommendations.%文章选择创新人才培养条件下的分析化学教学改革为本次研究的重点内容,结合笔者实践经验,首先介绍高校分析化学教学制约性因素,再对创新人才培养环境下的分析化学教学改革程序进行深入剖析,期待通过优化分析化学教学改革路径,对日后分析化学教学实践活动的开展提供参考建议.

  16. Introducing NMR to a General Chemistry Audience: A Structural-Based Instrumental Laboratory Relating Lewis Structures, Molecular Models, and [superscript 13]C NMR Data

    Science.gov (United States)

    Pulliam, Curtis R.; Pfeiffer, William F.; Thomas, Alyssa C.

    2015-01-01

    This paper describes a first-year general chemistry laboratory that uses NMR spectroscopy and model building to emphasize molecular shape and structure. It is appropriate for either a traditional or an atoms-first curriculum. Students learn the basis of structure and the use of NMR data through a cooperative learning hands-on laboratory…

  17. Increasing High School Students' Chemistry Performance and Reducing Cognitive Load through an Instructional Strategy Based on the Interaction of Multiple Levels of Knowledge Representation

    Science.gov (United States)

    Milenkovic´, Dus?ica D.; Segedinac, Mirjana D.; Hrin, Tamara N.

    2014-01-01

    The central goal of this study was to examine the extent to which a teaching approach focused on the interaction between macroscopic, submicroscopic, and symbolic levels of chemistry representations could affect high school students' performance in the field of inorganic reactions, as well as to examine how the applied instruction influences…

  18. Developments in Analytical Chemistry: Acoustically Levitated Drop Reactors for Enzyme Reaction Kinetics and Single-Walled Carbon Nanotube-Based Sensors for Detection of Toxic Organic Phosphonates

    Science.gov (United States)

    Field, Christopher Ryan

    2009-01-01

    Developments in analytical chemistry were made using acoustically levitated small volumes of liquid to study enzyme reaction kinetics and by detecting volatile organic compounds in the gas phase using single-walled carbon nanotubes. Experience gained in engineering, electronics, automation, and software development from the design and…

  19. Microfluidics in radiopharmaceutical chemistry

    International Nuclear Information System (INIS)

    The increased demand for molecular imaging tracers useful in assessing and monitoring diseases has stimulated research towards more efficient and flexible radiosynthetic routes, including newer technologies. The traditional vessel-based approach suffers from limitations concerning flexibility, reagent mass needed, hardware requirements, large number of connections and valves, repetitive cleaning procedures and overall big footprint to be shielded from radiation. For these reasons, several research groups have started to investigate the application of the fast growing field of microfluidic chemistry to radiosynthetic procedures. After the first report in 2004, many scientific papers have been published and demonstrated the potential for increased process yields, reduced reagent use, improved flexibility and general ease of setup. This review will address definitions occurring in microfluidics as well as analyze the different approaches under two macro-categories: microvessel and microchannel. In this perspective, several works will be collected, involving the use of positron emitting species (11C, 18F, 64Cu) and the fewer examples of gamma emitting radionuclides (99mTc, 125/131I). New directions in microfluidic research applied to PET radiochemistry, future developments and challenges are also discussed. -- Graphical abstract: Display Omitted

  20. Advanced Chemistry Basins Model

    Energy Technology Data Exchange (ETDEWEB)

    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.

  1. Computational Chemistry and Lubrication

    Science.gov (United States)

    Zehe, Michael J.

    1998-01-01

    Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.

  2. Response of Stream Chemistry During Base Flow to Gradients of Urbanization in Selected Locations Across the Conterminous United States, 2002-04

    Science.gov (United States)

    Sprague, Lori A.; Harned, Douglas A.; Hall, David W.; Nowell, Lisa H.; Bauch, Nancy J.; Richards, Kevin D.

    2007-01-01

    During 2002-2004, the U.S. Geological Survey's National Water-Quality Assessment Program conducted a study to determine the effects of urbanization on stream water quality and aquatic communities in six environmentally heterogeneous areas of the conterminous United States--Atlanta, Georgia; Raleigh-Durham, North Carolina; Milwaukee-Green Bay, Wisconsin; Dallas-Fort Worth, Texas; Denver, Colorado; and Portland, Oregon. This report compares and contrasts the response of stream chemistry during base flow to urbanization in different environmental settings and examines the relation between the exceedance of water-quality benchmarks and the level of urbanization in these areas. Chemical characteristics studied included concentrations of nutrients, dissolved pesticides, suspended sediment, sulfate, and chloride in base flow. In three study areas where the background land cover in minimally urbanized basins was predominantly forested (Atlanta, Raleigh-Durham, and Portland), urban development was associated with increased concentrations of nitrogen and total herbicides in streams. In Portland, there was evidence of mixed agricultural and urban influences at sites with 20 to 50 percent urban land cover. In two study areas where agriculture was the predominant background land cover (Milwaukee-Green Bay and Dallas-Fort Worth), concentrations of nitrogen and herbicides were flat or decreasing as urbanization increased. In Denver, which had predominantly shrub/grass as background land cover, nitrogen concentrations were only weakly related to urbanization, and total herbicide concentrations did not show any clear pattern relative to land cover - perhaps because of extensive water management in the study area. In contrast, total insecticide concentrations increased with increasing urbanization in all six study areas, likely due to high use of insecticides in urban applications and, for some study areas, the proximity of urban land cover to the sampling sites. Phosphorus

  3. Asymmetric translation between multiple representations in chemistry

    Science.gov (United States)

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

    2016-03-01

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

  4. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

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

  5. Fundamentals of quantum chemistry

    CERN Document Server

    House, J E

    2004-01-01

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

  6. Forensic Chemistry Training

    OpenAIRE

    GERÇEK, Zuhal

    2012-01-01

    Increasing the types of terrorism and crime nowadays, the importance of the forensic sciences can be bett er understood. Forensic science is the application of the wide spectrum of science to answer the question of legal system. It contains the application of the principles, techniques and methods of basic sciences and its main aim is the determination of the physical facts which are important in legal situations. Forensic chemistry is the branch of chemistry which performs the chemical analy...

  7. Applications of supramolecular chemistry

    CERN Document Server

    Schneider, Hans-Jörg

    2012-01-01

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

  8. 以“知识逻辑结构”为本组织结构化学教学%Organizing Structure-Chemistry-Teaching Based on“Knowledge Logic Structure”

    Institute of Scientific and Technical Information of China (English)

    孟祥军; 杨静; 张青

    2013-01-01

    The course which is characteristic of structure chemistry was introduced. An effective approach to improve the teaching quality was proposed, that is to organize structure-chemistry-teaching based on“knowledge logic structure”. A common teaching scheme and a specific teaching case were also provided in this paper.%  介绍了结构化学课程的特点,提出了提高结构化学教学质量的有效途径,即“以知识逻辑结构为本组织教学”,给出了结构化学教学的一般设计方案和具体教学案例。

  9. Scale-dependent effects of land cover on water physico-chemistry and diatom-based metrics in a major river system, the Adour-Garonne basin (South Western France)

    International Nuclear Information System (INIS)

    The scale dependence of ecological phenomena remains a central issue in ecology. Particularly in aquatic ecology, the consideration of the accurate spatial scale in assessing the effects of landscape factors on stream condition is critical. In this context, our study aimed at assessing the relationships between multi-spatial scale land cover patterns and a variety of water quality and diatom metrics measured at the stream reach level. This investigation was conducted in a major European river system, the Adour-Garonne river basin, characterized by a wide range of ecological conditions. Redundancy analysis (RDA) and variance partitioning techniques were used to disentangle the different relationships between land cover, water-chemistry and diatom metrics. Our results revealed a top-down “cascade effect” indirectly linking diatom metrics to land cover patterns through water physico-chemistry, which occurred at the largest spatial scales. In general, the strength of the relationships between land cover, physico-chemistry, and diatoms was shown to increase with the spatial scale, from the local to the basin scale, emphasizing the importance of continuous processes of accumulation throughout the river gradient. Unexpectedly, we established that the influence of land cover on the diatom metric was of primary importance both at the basin and local scale, as a result of discontinuous but not necessarily antagonist processes. The most detailed spatial grain of the Corine land cover classification appeared as the most relevant spatial grain to relate land cover to water chemistry and diatoms. Our findings provide suitable information to improve the implementation of effective diatom-based monitoring programs, especially within the scope of the European Water Framework Directive. - Highlights: •The spatial scale dependence of the “cascade effect” in a river system has been demonstrated. •The strength of the relationships between land cover and diatoms through

  10. Scale-dependent effects of land cover on water physico-chemistry and diatom-based metrics in a major river system, the Adour-Garonne basin (South Western France)

    Energy Technology Data Exchange (ETDEWEB)

    Tudesque, Loïc, E-mail: loic.tudesque@univ-tlse3.fr [CNRS, Université Paul Sabatier, ENFA, UMR5174 EDB (Laboratoire Évolution and Diversité Biologique), 118 route de Narbonne, F-31062 Toulouse (France); Université Toulouse 3 Paul Sabatier, CNRS, UMR5174 EDB, F-31062 Toulouse (France); Tisseuil, Clément [CNRS, Université Paul Sabatier, ENFA, UMR5174 EDB (Laboratoire Évolution and Diversité Biologique), 118 route de Narbonne, F-31062 Toulouse (France); Université Toulouse 3 Paul Sabatier, CNRS, UMR5174 EDB, F-31062 Toulouse (France); Lek, Sovan, E-mail: sovan.lek@univ-tlse3.fr [CNRS, Université Paul Sabatier, ENFA, UMR5174 EDB (Laboratoire Évolution and Diversité Biologique), 118 route de Narbonne, F-31062 Toulouse (France); Université Toulouse 3 Paul Sabatier, CNRS, UMR5174 EDB, F-31062 Toulouse (France)

    2014-01-01

    The scale dependence of ecological phenomena remains a central issue in ecology. Particularly in aquatic ecology, the consideration of the accurate spatial scale in assessing the effects of landscape factors on stream condition is critical. In this context, our study aimed at assessing the relationships between multi-spatial scale land cover patterns and a variety of water quality and diatom metrics measured at the stream reach level. This investigation was conducted in a major European river system, the Adour-Garonne river basin, characterized by a wide range of ecological conditions. Redundancy analysis (RDA) and variance partitioning techniques were used to disentangle the different relationships between land cover, water-chemistry and diatom metrics. Our results revealed a top-down “cascade effect” indirectly linking diatom metrics to land cover patterns through water physico-chemistry, which occurred at the largest spatial scales. In general, the strength of the relationships between land cover, physico-chemistry, and diatoms was shown to increase with the spatial scale, from the local to the basin scale, emphasizing the importance of continuous processes of accumulation throughout the river gradient. Unexpectedly, we established that the influence of land cover on the diatom metric was of primary importance both at the basin and local scale, as a result of discontinuous but not necessarily antagonist processes. The most detailed spatial grain of the Corine land cover classification appeared as the most relevant spatial grain to relate land cover to water chemistry and diatoms. Our findings provide suitable information to improve the implementation of effective diatom-based monitoring programs, especially within the scope of the European Water Framework Directive. - Highlights: •The spatial scale dependence of the “cascade effect” in a river system has been demonstrated. •The strength of the relationships between land cover and diatoms through

  11. Making Connections: Learning and Teaching Chemistry in Context

    Science.gov (United States)

    King, Donna; Bellocchi, Alberto; Ritchie, Stephen M.

    2008-01-01

    Even though several studies have reported positive attitudinal outcomes from context-based chemistry programs, methodological obstacles have prevented researchers from comparing satisfactorily the chemistry-learning outcomes between students who experience a context-based program with those who experience a content-driven program. In this…

  12. Annual report 1983 Chemistry Department

    International Nuclear Information System (INIS)

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1983 are presented. The facilities and equipment are barely mentioned. The activities are divided into nine groups: 1. radioisotope chemistry 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry and waste disposal 6. radical chemstry 7. positron annihilation 8. mineral processing 9. general. (author)

  13. Mathematical problems for chemistry students

    CERN Document Server

    Pota, Gyorgy

    2006-01-01

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

  14. The achievements of "Chemistry in the Community" students compared to traditional chemistry students in an introductory university chemistry course

    Science.gov (United States)

    Brent, Bill M.

    In 1988, the American Chemical Society released the first edition of the Chemistry in the Community (ChemCom) materials. ChemCom is a year long secondary chemistry course developed for capable students who do not intend to pursue a science or engineering related career. During the decade that has elapsed since that first edition, two other editions have been released (1992, 1996). The program uses an issues-oriented, science, technology, and society (STS) approach. The chemistry is taught with a need to know, spiral approach. The approach is not the only change ChemCom makes from the traditional high school program. Some topics common to the conventional program are eliminated and others de-emphasized, and the amount of mathematical calculations is reduced. Some topics not commonly included in high school chemistry are introduced. These changes have led to the perception by some high school and higher education chemistry teachers that students taking ChemCom would not be as well prepared for all introductory university chemistry course for science related majors as students from a traditional chemistry course. This perception led to a variety of concerns about scheduling students in high school classes and about including ChemCom in the curriculum. The purpose of this study is to examine the validity of this perception. The sample consists of forty-three students with ChemCom as their high school chemistry background and forty-three students with a traditional chemistry background. All of the students were taking the Chemistry 31 course at a research I university. The non-ChemCom students were matched with the ChemCom students based on the number of mathematics and science courses taken in high school. No statistically significant difference was found between the two groups of students using an ANOVA with alpha = 0.05. The students' composite, mathematics, and science scores on the ACT were then used as covariates. No statistically significant differences were

  15. Advanced radiation chemistry research: Current status

    International Nuclear Information System (INIS)

    Radiation chemistry is a branch of chemistry that studies chemical transformations in materials exposed to high-energy radiations. It is based on the use of ionizing radiation as the initiator or catalyst in chemical reactions. The most significant advantage of radiation chemistry lies in its ability to be used in the production and study of almost any reactive atomic and molecular species playing a part in chemical reaction, synthesis, industrial processes, or in biological systems. Over the the last few years a number of meetings have taken place, under the auspices of the IAEA, in order to evaluate recent developments in radiation chemistry as well as the trends indicated by the results obtained. Radiation chemists from different countries have participated at these meetings. The present publication, a companion to the previous publication - New Trends and Development in Radiation Chemistry, IAEA-TECDOC-527 (1989) - includes some of the important contributions presented at these meetings. It is hoped that it will provide a useful overview of current activities and of emerging trends in this field, thus promoting better understanding of potential contributions of radiation chemistry to other fields of knowledge as well as to practical applications in industry, medicine and agriculture. Refs, figs and tabs

  16. Quasi-experimental nonequivalent (pretest and posttest) control-group study of the effects of microcomputer-based laboratory systems on academic achievement in high school chemistry students at two South Carolina high schools

    Science.gov (United States)

    Venables, Jeffrey M.

    The literature on microcomputer-based laboratories (MBL) lacks quantitative studies that measure the effect of MBL on student achievement. The purpose of this study was to investigate the effect of MBL systems on the achievement of high school chemistry students. The first research question examined the effect of MBL systems on student achievement in high school chemistry laboratories. The second question analyzed the effect of MBL systems on the academic achievement of students of different genders, ethnicities, and socioeconomic backgrounds. This quasi-experimental quantitative research study evaluated the effects of MBL on student achievement in high school chemistry. The sample consisted of 124 college preparatory chemistry students at two high schools in a South Carolina school district. There were 42 participants in the experimental group and 82 participants in the control group. Both experimental and groups completed a pre- and post-test with MBL being the independent variable. The mean difference score for the experimental group was compared to that of the control group using an independent-measures t test and an analysis of variance. For the second research question, results were analyzed using a two-factor analysis of variance. Participant scores were broken down by gender, ethnicity, and socioeconomic status in order to identify potential differences. The results revealed no significant differences between the experimental and control groups, and no significant differences in effects of MBL on different segments of the population. Future studies should examine students using MBL for longer durations than one unit of study. As society continues to make technological advances, the effective assessment and implementation of technology resources for the classroom are becoming increasingly important.

  17. Scale-dependent effects of land cover on water physico-chemistry and diatom-based metrics in a major river system, the Adour-Garonne basin (South Western France).

    Science.gov (United States)

    Tudesque, Loïc; Tisseuil, Clément; Lek, Sovan

    2014-01-01

    The scale dependence of ecological phenomena remains a central issue in ecology. Particularly in aquatic ecology, the consideration of the accurate spatial scale in assessing the effects of landscape factors on stream condition is critical. In this context, our study aimed at assessing the relationships between multi-spatial scale land cover patterns and a variety of water quality and diatom metrics measured at the stream reach level. This investigation was conducted in a major European river system, the Adour-Garonne river basin, characterized by a wide range of ecological conditions. Redundancy analysis (RDA) and variance partitioning techniques were used to disentangle the different relationships between land cover, water-chemistry and diatom metrics. Our results revealed a top-down "cascade effect" indirectly linking diatom metrics to land cover patterns through water physico-chemistry, which occurred at the largest spatial scales. In general, the strength of the relationships between land cover, physico-chemistry, and diatoms was shown to increase with the spatial scale, from the local to the basin scale, emphasizing the importance of continuous processes of accumulation throughout the river gradient. Unexpectedly, we established that the influence of land cover on the diatom metric was of primary importance both at the basin and local scale, as a result of discontinuous but not necessarily antagonist processes. The most detailed spatial grain of the Corine land cover classification appeared as the most relevant spatial grain to relate land cover to water chemistry and diatoms. Our findings provide suitable information to improve the implementation of effective diatom-based monitoring programs, especially within the scope of the European Water Framework Directive. PMID:23892023

  18. 以化学竞赛为契机 着力培养应用型人才%Cultivating Applied Talents Based on Chemistry Competition

    Institute of Scientific and Technical Information of China (English)

    韦寿莲; 汪洪武; 许秀丽; 刘玲; 严子军; 赵建芬

    2011-01-01

    Owing to a large social demand for applied talents, combining the school orientation, the cultivation target and an awareness of chemistry competition among students, it' s studied on how to optimize the teaching resources, to improve the teaching quality and to promote the cultivation of applied talents through chemistry competitions in local colleges.%基于社会对应用型人才的大量需求,结合肇庆学院的办学定位、培养目标及化学化工学院学生对竞赛的认知,研究地方高校如何通过化学竞赛优化教学资源,提高教学质量,促进应用型人才的培养.

  19. Introduction to Quantum Algorithms for Physics and Chemistry

    OpenAIRE

    Yung, Man hong; Whitfield, James D.; Boixo, Sergio; Tempel, David Gabriel; Aspuru-Guzik, Alan

    2012-01-01

    An enormous number of model chemistries are used in computational chemistry to solve or approximately solve the Schr odinger equation; each with their own drawbacks. One key limitation is that the hardware used in computational chemistry is based on classical physics, and is often not well suited for simulating models in quantum physics. In this review, we focus on applications of quantum computation to chemical physics problems. We describe the algorithms that have been proposed for the e...

  20. Generalized Approach for Selecting Plasma Chemistries in Metal Etch

    OpenAIRE

    Chen, Kun-Chieh

    2016-01-01

    In this work, a generalized methodology, combining thermodynamic assessment of various etching chemistries and kinetic verification of etching efficacy, is proposed. To screen various chemistries, reactions between the dominant vapor phase/condensed species at various partial pressures of reactants are first considered. The volatility of etch product is determined to aid the selection of viable etch chemistry. Magnetic tunnel junction (MTJ) based magnetic random access memory (MRAM) was chose...