WorldWideScience

Sample records for bases chemistry

  1. Using Chemistry Teaching Aids Based Local Wisdom as an Alternative Media for Chemistry Teaching and Learning

    Science.gov (United States)

    Priyambodo, Erfan; Wulaningrum, Safira

    2017-01-01

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

  2. Iron-based superconductors via soft chemistry

    International Nuclear Information System (INIS)

    Friederichs, Gina Maya

    2015-01-01

    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 3 O 4 ) could be proven by low temperature O 2 -annealing of Fe 1+x Te 1-y Se y . By using redox (de)intercalations K 1-x Fe 2-y Se 2 , metastable Na 1-x Fe 2-y As 2 and Na 1-x ((Fe 1-y Co y ) 1-z As) 2 could successfully be obtained at room temperature. The mild synthesis conditions led to compounds like FeSe and K 1-x Fe 2-y Se 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 4/4 tetrahedral layers, however, are preserved. Soft chemistry syntheses have been shown to allow the formation of a variety of phases, like Na 1-x Fe 2-y As 2 , Na 1-x ((Fe 1-y Co y ) 1-z As) 2 and K 1-x Fe 2-y Se 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.

  3. 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.

  4. 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…

  5. Turkish Prospective Chemistry Teachers' Alternative Conceptions about Acids and Bases

    Science.gov (United States)

    Boz, Yezdan

    2009-01-01

    The purpose of this study was to obtain prospective chemistry teachers' conceptions about acids and bases concepts. Thirty-eight prospective chemistry teachers were the participants. Data were collected by means of an open-ended questionnaire and semi-structured interviews. Analysis of data indicated that most prospective teachers did not have…

  6. Problem-based learning on quantitative analytical chemistry course

    Science.gov (United States)

    Fitri, Noor

    2017-12-01

    This research applies problem-based learning method on chemical quantitative analytical chemistry, so called as "Analytical Chemistry II" course, especially related to essential oil analysis. The learning outcomes of this course include aspects of understanding of lectures, the skills of applying course materials, and the ability to identify, formulate and solve chemical analysis problems. The role of study groups is quite important in improving students' learning ability and in completing independent tasks and group tasks. Thus, students are not only aware of the basic concepts of Analytical Chemistry II, but also able to understand and apply analytical concepts that have been studied to solve given analytical chemistry problems, and have the attitude and ability to work together to solve the problems. Based on the learning outcome, it can be concluded that the problem-based learning method in Analytical Chemistry II course has been proven to improve students' knowledge, skill, ability and attitude. Students are not only skilled at solving problems in analytical chemistry especially in essential oil analysis in accordance with local genius of Chemistry Department, Universitas Islam Indonesia, but also have skilled work with computer program and able to understand material and problem in English.

  7. Chemistry

    International Nuclear Information System (INIS)

    Gomez G, H.

    1989-01-01

    A brief description about the development and activities executed in chemistry, in the Instituto de Asuntos Nucleares, during the last years is presented. The plans and feasibility of nuclear techniques in Colombia are also described

  8. Assessing College Students' Understanding of Acid Base Chemistry Concepts

    Science.gov (United States)

    Wan, Yanjun Jean

    2014-01-01

    Typically most college curricula include three acid base models: Arrhenius', Bronsted-Lowry's, and Lewis'. Although Lewis' acid base model is generally thought to be the most sophisticated among these three models, and can be further applied in reaction mechanisms, most general chemistry curricula either do not include Lewis' acid base model, or…

  9. 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…

  10. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    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 UF 3 and dissolved UF 4 , and, in some cases, between the dissolved uranium fluorides and graphite, and the UC 2 . Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF 4 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 U 4+ /U 3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

  11. 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.

  12. 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.

  13. Applications of Azide-Based Bioorthogonal Click Chemistry in Glycobiology

    Directory of Open Access Journals (Sweden)

    Xiu Zhang

    2013-06-01

    Full Text Available Click chemistry is a powerful chemical reaction with excellent bioorthogonality features: biocompatible, rapid and highly specific in biological environments. For glycobiology, bioorthogonal click chemistry has created a new method for glycan non-invasive imaging in living systems, selective metabolic engineering, and offered an elite chemical handle for biological manipulation and glycomics studies. Especially the [3 + 2] dipolar cycloadditions of azides with strained alkynes and the Staudinger ligation of azides and triarylphosphines have been widely used among the extant click reactions. This review focuses on the azide-based bioorthogonal click chemistry, describing the characteristics and development of these reactions, introducing some recent applications in glycobiology research, especially in glycan metabolic engineering, including glycan non-invasive imaging, glycomics studies and viral surface manipulation for drug discovery as well as other applications like activity-based protein profiling and carbohydrate microarrays.

  14. Click Chemistry in Peptide-Based Drug Design

    Directory of Open Access Journals (Sweden)

    Irwin Chaiken

    2013-08-01

    Full Text Available Click chemistry is an efficient and chemoselective synthetic method for coupling molecular fragments under mild reaction conditions. Since the advent in 2001 of methods to improve stereochemical conservation, the click chemistry approach has been broadly used to construct diverse chemotypes in both chemical and biological fields. In this review, we discuss the application of click chemistry in peptide-based drug design. We highlight how triazoles formed by click reactions have been used for mimicking peptide and disulfide bonds, building secondary structural components of peptides, linking functional groups together, and bioconjugation. The progress made in this field opens the way for synthetic approaches to convert peptides with promising functional leads into structure-minimized and more stable forms.

  15. 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.

  16. Computational chemistry and metal-based radiopharmaceuticals

    International Nuclear Information System (INIS)

    Neves, M.; Fausto, R.

    1998-01-01

    Computer-assisted techniques have found extensive use in the design of organic pharmaceuticals but have not been widely applied on metal complexes, particularly on radiopharmaceuticals. Some examples of computer generated structures of complexes of In, Ga and Tc with N, S, O and P donor ligands are referred. Besides parameters directly related with molecular geometries, molecular properties of the predicted structures, as ionic charges or dipole moments, are considered to be related with biodistribution studies. The structure of a series of oxo neutral Tc-biguanide complexes are predicted by molecular mechanics calculations, and their interactions with water molecules or peptide chains correlated with experimental data of partition coefficients and percentage of human protein binding. The results stress the interest of using molecular modelling to predict molecular properties of metal-based radiopharmaceuticals, which can be successfully correlated with results of in vitro studies. (author)

  17. Effectiveness of Case-Based Learning Instruction on Pre-Service Teachers' Chemistry Motivation and Attitudes toward Chemistry

    Science.gov (United States)

    Çam, Aylin; Geban, Ömer

    2017-01-01

    Background: The development of primary pre-service teachers' chemistry motivation and attitudes toward chemistry were examined in order to develop their science literacy using case-based learning. Students' ideas were emphasized, real-life situations were discussed, and students could share their ideas and knowledge with peers; as a result,…

  18. Structure-based classification and ontology in chemistry

    Directory of Open Access Journals (Sweden)

    Hastings Janna

    2012-04-01

    Full Text Available Abstract Background Recent years have seen an explosion in the availability of data in the chemistry domain. With this information explosion, however, retrieving relevant results from the available information, and organising those results, become even harder problems. Computational processing is essential to filter and organise the available resources so as to better facilitate the work of scientists. Ontologies encode expert domain knowledge in a hierarchically organised machine-processable format. One such ontology for the chemical domain is ChEBI. ChEBI provides a classification of chemicals based on their structural features and a role or activity-based classification. An example of a structure-based class is 'pentacyclic compound' (compounds containing five-ring structures, while an example of a role-based class is 'analgesic', since many different chemicals can act as analgesics without sharing structural features. Structure-based classification in chemistry exploits elegant regularities and symmetries in the underlying chemical domain. As yet, there has been neither a systematic analysis of the types of structural classification in use in chemistry nor a comparison to the capabilities of available technologies. Results We analyze the different categories of structural classes in chemistry, presenting a list of patterns for features found in class definitions. We compare these patterns of class definition to tools which allow for automation of hierarchy construction within cheminformatics and within logic-based ontology technology, going into detail in the latter case with respect to the expressive capabilities of the Web Ontology Language and recent extensions for modelling structured objects. Finally we discuss the relationships and interactions between cheminformatics approaches and logic-based approaches. Conclusion Systems that perform intelligent reasoning tasks on chemistry data require a diverse set of underlying computational

  19. How Do Undergraduate Students Conceptualize Acid-Base Chemistry? Measurement of a Concept Progression

    Science.gov (United States)

    Romine, William L.; Todd, Amber N.; Clark, Travis B.

    2016-01-01

    We developed and validated a new instrument, called "Measuring Concept progressions in Acid-Base chemistry" (MCAB) and used it to better understand the progression of undergraduate students' understandings about acid-base chemistry. Items were developed based on an existing learning progression for acid-base chemistry. We used the Rasch…

  20. Fines classification based on sensitivity to pore-fluid chemistry

    Science.gov (United States)

    Jang, Junbong; Santamarina, J. Carlos

    2016-01-01

    The 75-μm particle size is used to discriminate between fine and coarse grains. Further analysis of fine grains is typically based on the plasticity chart. Whereas pore-fluid-chemistry-dependent soil response is a salient and distinguishing characteristic of fine grains, pore-fluid chemistry is not addressed in current classification systems. Liquid limits obtained with electrically contrasting pore fluids (deionized water, 2-M NaCl brine, and kerosene) are combined to define the soil “electrical sensitivity.” Liquid limit and electrical sensitivity can be effectively used to classify fine grains according to their fluid-soil response into no-, low-, intermediate-, or high-plasticity fine grains of low, intermediate, or high electrical sensitivity. The proposed methodology benefits from the accumulated experience with liquid limit in the field and addresses the needs of a broader range of geotechnical engineering problems.

  1. Fines Classification Based on Sensitivity to Pore-Fluid Chemistry

    KAUST Repository

    Jang, Junbong

    2015-12-28

    The 75-μm particle size is used to discriminate between fine and coarse grains. Further analysis of fine grains is typically based on the plasticity chart. Whereas pore-fluid-chemistry-dependent soil response is a salient and distinguishing characteristic of fine grains, pore-fluid chemistry is not addressed in current classification systems. Liquid limits obtained with electrically contrasting pore fluids (deionized water, 2-M NaCl brine, and kerosene) are combined to define the soil "electrical sensitivity." Liquid limit and electrical sensitivity can be effectively used to classify fine grains according to their fluid-soil response into no-, low-, intermediate-, or high-plasticity fine grains of low, intermediate, or high electrical sensitivity. The proposed methodology benefits from the accumulated experience with liquid limit in the field and addresses the needs of a broader range of geotechnical engineering problems. © ASCE.

  2. Chemistry research and chemical techniques based on research reactors

    International Nuclear Information System (INIS)

    1963-01-01

    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

  3. 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…

  4. 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…

  5. 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

  6. Metal-composite adhesion based on diazonium chemistry.

    Science.gov (United States)

    Oweis, Yara; Alageel, Omar; Kozak, Paige; Abdallah, Mohamed-Nur; Retrouvey, Jean-Marc; Cerruti, Marta; Tamimi, Faleh

    2017-11-01

    Composite resins do not adhere well to dental alloys. This weak bond can result in failure at the composite-metal interface in fixed dental prostheses and orthodontic brackets. The aim of this study was to develop a new adhesive, based on diazonium chemistry, to facilitate chemical bonding between dental alloys and composite resin. Samples of two types of dental alloys, stainless steel and cobalt chromium were primed with a diazonium layer in order to create a surface coating favorable for composite adhesion. Untreated metal samples served as controls. The surface chemical composition of the treated and untreated samples was analyzed by X-ray photoelectron spectroscopy (XPS) and the tensile strength of the bond with composite resin was measured. The diazonium adhesive was also tested for shear bond strength between stainless steel orthodontic brackets and teeth. XPS confirmed the presence of a diazonium coating on the treated metals. The coating significantly increased the tensile and shear bond strengths by three and four folds respectively between the treated alloys and composite resin. diazonium chemistry can be used to develop composite adhesives for dental alloys. Diazonium adhesion can effectively achieve a strong chemical bond between dental alloys and composite resin. This technology can be used for composite repair of fractured crowns, for crown cementation with resin based cements, and for bracket bonding. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  7. 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.

  8. Chemistry resolved kinetic flow modeling of TATB based explosives

    Science.gov (United States)

    Vitello, Peter; Fried, Laurence E.; William, Howard; Levesque, George; Souers, P. Clark

    2012-03-01

    Detonation waves in insensitive, TATB-based explosives are believed to have multiple 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. We use the thermo-chemical code CHEETAH linked to an ALE hydrodynamics code to model detonations. We term our model chemistry resolved kinetic flow, since CHEETAH tracks the time dependent concentrations of individual species in the detonation wave and calculates EOS values based on the concentrations. We present here two variants of our new rate model and comparison with hot, ambient, and cold experimental data for PBX 9502.

  9. 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. © 2015 Federation of European Biochemical Societies.

  10. Watersheds in muskeg terrain. 2. Evaluations based on water chemistry

    Science.gov (United States)

    Schwartz, Franklin W.; Milne-Home, William A.

    1982-06-01

    This paper discusses the application of data on stream water chemistry to regional groundwater evaluation, hydrograph separation, and evaluation of the effects of basin disturbance. We have selected for analysis the Firebag, Steepbank and Muskeg River basins, and Hartley and Thickwood Creek basins in northern Alberta, Canada. They cover slightly more than 9000 km 2 within a region containing vast quantities of surface mineable, oil sand deposits. All basins are drift covered and underlain by bedrock that can range in age from Precambrian to Cretaceous. Comparison of chemical data for stream water from all basins with that for groundwater from Hartley Creek basin confirms that groundwater is a major source of streamflow in winter. Indications are that this groundwater inflow is almost entirely from glacial drift. Hydrograph separations based on chemical parameters indicate that during the spring and summer the proportion of groundwater in the streamflow is less than winter values with the largest contribution by far coming from the drainage of muskeg. Muskeg thus exerts important control on stream discharge and chemistry. If surface mining in these basins causes the removal of muskeg and replacement by mineral soil, stream discharge from affected areas will be less during summer and more during spring runoff and stormflow periods. As well, major-ion concentrations should be generally higher in the summer and fall months. However, the impact of local disturbances in a larger basin will be diminished downstream as waters from affected areas are mixed with other waters.

  11. Structure-based library design: molecular modelling merges with combinatorial chemistry.

    Science.gov (United States)

    Böhm, H J; Stahl, M

    2000-06-01

    Recent advances in both computational and experimental techniques now allow a very fruitful interplay of computational and combinatorial chemistry in the structure-based design of combinatorial libraries.

  12. Multiple representations in web-based learning of chemistry concepts

    NARCIS (Netherlands)

    Vermaat, J.H.; Terlouw, C.; Dijkstra, S.

    2003-01-01

    A new chemistry curriculum for secondary schools is currently under construction in the Netherlands, in which chemical knowledge will be embedded in contexts that show applications of chemistry in the society. Several research groups develop such modules and a committee appointed by the Dutch

  13. Towards a framework 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 develop a framework for professional development programmes that empowers chemistry teachers to teach and design context-based chemistry curricula. Firstly, teachers involvement, their concerns and their professional development in several context-based curriculum

  14. 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…

  15. Lubrication Chemistry Viewed from DFT-Based Concepts and Electronic Structural Principles

    Directory of Open Access Journals (Sweden)

    Jin Yuansheng

    2003-12-01

    Full Text Available Abstract: Fundamental molecular issues in lubrication chemistry were reviewed under categories of solution chemistry, contact chemistry and tribochemistry. By introducing the Density Functional Theory(DFT-derived chemical reactivity parameters (chemical potential, electronegativity, hardness, softness and Fukui function and related electronic structural principles (electronegativity equalization principle, hard-soft acid-base principle, and maximum hardness principle, their relevancy to lubrication chemistry was explored. It was suggested that DFT, theoretical, conceptual and computational, represents a useful enabling tool to understand lubrication chemistry issues prior to experimentation and the approach may form a key step in the rational design of lubrication chemistry via computational methods. It can also be optimistically anticipated that these considerations will gestate unique DFT-based strategies to understand sophisticated tribology themes, such as origin of friction, essence of wear, adhesion in MEMS/NEMS, chemical mechanical polishing in wafer manufacturing, stress corrosion, chemical control of friction and wear, and construction of designer tribochemical systems.

  16. Chemistry education based on concepts represented by mental models

    OpenAIRE

    Gibin, Gustavo Bizarria; Ferreira, Luiz Henrique

    2010-01-01

    The current legislation determines that the chemist must have a solid comprehension about chemical concepts. Literature presents the concept of mental model, which is determinant to the learning of phenomena and concepts. This paper presents some mental models that students of the Chemistry course at UFSCar have about chemical concepts. A lot of incoherence was observed in student's mental models, which is an evidence that there are problems in the learning of chemistry education.

  17. Using structure-based organic chemistry online tutorials with automated correction for student practice and review

    OpenAIRE

    O'Sullivan, Timothy P.; Hargaden, Gráinne 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 students to develop essential problem-solving skills in organic chemistry. This online approach may be used for both formative and summative assessment....

  18. Investigation of student use of Web-based tutorial materials and understanding of chemistry concepts

    Science.gov (United States)

    Donovan, William Joseph

    The purpose of this study was to investigate students' use of Web-based tutorial materials in general chemistry and these students' understanding of chemistry concepts. The Visualization and Problem Solving Web Site includes tutorial materials for several visual chemistry topics such as VSEPR and coordination chemistry. Students generally valued the web site because of the representations and visualizations it provided, the materials and information available on the web site, and because they felt that they needed help with chemistry. Many students who did not use the web site felt that they did not need help with chemistry and thus did not need this additional source of help. Both web site users and nonusers were generally positive about using the web to learn chemistry. Motivation was also a factor in student decisions to use or not use the materials on the web. To gauge students' understanding of chemistry concepts, students were asked questions about coordination chemistry and drew concept maps during the interviews. Web site users made more incorrect statements during the discussion of coordination chemistry questions, but the student concept maps did not show a great difference in terms of percentages of correct and incorrect links.

  19. Population-Based Pediatric Reference Intervals in General Clinical Chemistry: A Swedish Survey.

    Science.gov (United States)

    Ridefelt, Peter

    2015-01-01

    Very few high quality studies on pediatric reference intervals for general clinical chemistry and hematology analytes have been performed. Three recent prospective community-based projects utilising blood samples from healthy children in Sweden, Denmark and Canada have substantially improved the situation. The Swedish survey included 701 healthy children. Reference intervals for general clinical chemistry and hematology were defined.

  20. 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…

  1. The Use of Computer-Based Instruction in Undergraduate Organic Chemistry.

    Science.gov (United States)

    Culp, George H.

    Thirty-two computer-based lesson modules in organic chemistry were developed at the University of Texas (Austin) over an 18-month period and evaluated in varying classroom situations for three semesters starting in the Fall of 1972. The modules were designed as supplements to the traditional organic chemistry course of the University. As such,…

  2. 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…

  3. 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…

  4. 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…

  5. Aquatic Chemistry

    International Nuclear Information System (INIS)

    Kim, Dong Yeun; Kim, Oh Sik; Kim, Chang Guk; Park, Cheong Gil; Lee, Gwi Hyeon; Lee, Cheol Hui

    1987-07-01

    This book deals aquatic chemistry, which treats water and environment, chemical kinetics, chemical balance like dynamical characteristic, and thermodynamics, acid-base chemistry such as summary, definition, kinetics, and PH design for mixture of acid-base chemistry, complex chemistry with definition, and kinetics, precipitation and dissolution on summary, kinetics of precipitation and dissolution, and balance design oxidation and resolution with summary, balance of oxidation and resolution.

  6. Water Chemistry and Chemistry Monitoring at Thermal and Nuclear Power Plants: Problems and Tasks (Based on Proceedings of Conferences)

    Science.gov (United States)

    Larin, B. M.

    2018-02-01

    In late May-early June 2017, two international science and technology conferences on problems of water chemistry and chemistry monitoring at thermal and nuclear power plants were held. The participants of both the first conference held at OAO VTI and the second conference that took place at NITI formulated the problems of the development of the regulatory base and implementation of promising water treatment technologies and outlined the ways of improving the water chemistry and chemistry monitoring at TPPs and NPPs for the near future. It was pointed out that the new amine-containing VTIAMIN agent developed by OAO VTI had been successfully tested on the power-generating units equipped with steam-gas plants to establish the minimum excess of the film-forming amine in the power-generating unit circuit that ensures the protection of the metal as 5-10 μg/dm3. A flow-injection technique for the analysis of trace concentrations of chlorides was proposed; the technique applied to the condensate of the 1000-MW steam turbine of the NPP power-generating unit yields the results comparable with the results obtained by the ion chromatography and the potentiometric method using the solver electrode. The participants of the conferences were demonstrated new Russian instruments to analyze the water media at the TPPs and NPPs, including the total organic carbon analyzer and the analyzer of mineral impurities in the condensate and feed water, that won a gold medal at the 45th International Exhibition of Inventions held in Geneva this April.

  7. 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

  8. The EPA Comptox Chemistry Dashboard: A Web-Based Data Integration Hub for Toxicology Data (SOT)

    Science.gov (United States)

    The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program integrates advances in biology, chemistry, and computer science to help prioritize chemicals for further research based on potential human health risks. This work involves computational and data drive...

  9. 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…

  10. 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 classrooms,…

  11. 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.

  12. 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

  13. 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.

  14. Developing Creative Thinking Skills and Creative Attitude Through Problem Based Green Vision Chemistry Environment Learning

    OpenAIRE

    Nuswowati, M; Taufiq, M

    2015-01-01

    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 ...

  15. 20170821 - Comptox Chemistry Dashboard: Web-Based Data Integration Hub for Environmental Chemistry and Toxicology Data (ACS Fall meeting 4 of 12)

    Science.gov (United States)

    The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program integrate advances in biology, chemistry, exposure and computer science to help prioritize chemicals for further research based on potential human health risks. This work involves computational and da...

  16. Comptox Chemistry Dashboard: Web-Based Data Integration Hub for Environmental Chemistry and Toxicology Data (ACS Fall meeting 4 of 12)

    Science.gov (United States)

    The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program integrate advances in biology, chemistry, exposure and computer science to help prioritize chemicals for further research based on potential human health risks. This work involves computational and da...

  17. 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

  18. 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,

  19. Context and Chemistry Going Dutch? The Development of a Context-Based Curriculum in the Netherlands

    NARCIS (Netherlands)

    Apotheker, J. H.; GuptaBhowon, M; JhaumeerLaulloo, S; Wah, HLK; Ramasami, P

    2009-01-01

    In the Netherlands a new context-based curriculum has been designed to cope with the problem of the diminishing attention for chemistry as a subject. The curriculum consists of a number of modules in which a context is introduced. Based on scientific questions related to the context chemical

  20. Thai Grade 11 Students' Alternative Conceptions for Acid-Base Chemistry

    Science.gov (United States)

    Artdej, Romklao; Ratanaroutai, Thasaneeya; Coll, Richard Kevin; Thongpanchang, Tienthong

    2010-01-01

    This study involved the development of a two-tier diagnostic instrument to assess Thai high school students' understanding of acid-base chemistry. The acid-base diagnostic test (ABDT) comprising 18 items was administered to 55 Grade 11 students in a science and mathematics programme during the second semester of the 2008 academic year. Analysis of…

  1. Strategies for a Professional Development Programme: Empowering Teachers for Context-Based Chemistry Education

    Science.gov (United States)

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

    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, four general strategies for professional development…

  2. Multiple shape memory polymers based on laminates formed from thiol-click chemistry based polymerizations.

    Science.gov (United States)

    Podgórski, M; Wang, C; Bowman, C N

    2015-09-14

    This investigation details the formation of polymer network trilayer laminates formed by thiol-X click chemistries, and their subsequent implementation and evaluation for quadruple shape memory behavior. Thiol-Michael addition and thiol-isocyanate-based crosslinking reactions were employed to fabricate each of the laminate's layers with independent control of the chemistry and properties of each layer and outstanding interlayer adhesion and stability. The characteristic features of step-growth thiol-X reactions, such as excellent network uniformity and narrow thermal transitions as well as their stoichiometric nature, enabled fabrication of trilayer laminates with three distinctly different glass transition temperatures grouped within a narrow range of 100 °C. Through variations in the layer thicknesses, a step-wise modulus drop as a function of temperature was achieved. This behavior allowed multi-step programming and the demonstration and quantification of quadruple shape memory performance. As is critical for this performance, the interface connecting the layers was evaluated in stoichiometric as well as off-stoichiometric systems. It was shown that the laminated structures exhibit strong interfacial binding and hardly suffer any delamination during cyclic material testing and deformation.

  3. Using problem based learning and guided inquiry in a high school acid-base chemistry unit

    Science.gov (United States)

    McKinley, Katie

    The purpose of this investigation was to determine if incorporating problem based learning and guided inquiry would improve student achievement in an acid base unit for high school chemistry. The activities and labs in the unit were modified to be centered around the problem of a fish kill that students investigated. Students also participated in guided inquiry labs to increase the amount of critical thinking and problem solving being done in the classroom. The hypothesis was that the implementation of problem based learning and guided inquiry would foster student learning. Students took a pre-test and post-test on questions covering the objectives of the acid base unit. These assessments were compared to determine the effectiveness of the unit. The results indicate that the unit was effective in increasing student performance on the unit test. This study also analyzed the process of problem based learning. Problem based learning can be an effective method of engaging students in inquiry. However, designing an effective problem based learning unit requires careful design of the problem and enough structure to assure students learn the intended content.

  4. 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…

  5. 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

  6. Functional surface chemistry of carbon-based nanostructures

    Science.gov (United States)

    Abdula, Daner

    The recently discovered abilities to synthesize single-walled carbon nanotubes and prepare single layer graphene have spurred interest in these sp2-bonded carbon nanostructures. In particular, studies of their potential use in electronic devices are many as silicon integrated circuits are encountering processing limitations, quantum effects, and thermal management issues due to rapid device scaling. Nanotube and graphene implementation in devices does come with significant hurdles itself. Among these issues are the ability to dope these materials and understanding what influences defects have on expected properties. Because these nanostructures are entirely all-surface, with every atom exposed to ambient, introduction of defects and doping by chemical means is expected to be an effective route for addressing these issues. Raman spectroscopy has been a proven characterization method for understanding vibrational and even electronic structure of graphene, nanotubes, and graphite, especially when combined with electrical measurements, due to a wealth of information contained in each spectrum. In Chapter 1, a discussion of the electronic structure of graphene is presented. This outlines the foundation for all sp2-bonded carbon electronic properties and is easily extended to carbon nanotubes. Motivation for why these materials are of interest is readily gained. Chapter 2 presents various synthesis/preparation methods for both nanotubes and graphene, discusses fabrication techniques for making devices, and describes characterization methods such as electrical measurements as well as static and time-resolved Raman spectroscopy. Chapter 3 outlines changes in the Raman spectra of individual metallic single-walled carbon nantoubes (SWNTs) upon sidewall covalent bond formation. It is observed that the initial degree of disorder has a strong influence on covalent sidewall functionalization which has implications on developing electronically selective covalent chemistries and

  7. Mannich bases in medicinal chemistry and drug design.

    Science.gov (United States)

    Roman, Gheorghe

    2015-01-07

    The biological activity of Mannich bases, a structurally heterogeneous class of chemical compounds that are generated from various substrates through the introduction of an aminomethyl function by means of the Mannich reaction, is surveyed, with emphasis on the relationship between structure and biological activity. The review covers extensively the literature reports that have disclosed Mannich bases as anticancer and cytotoxic agents, or compounds with potential antibacterial and antifungal activity in the last decade. The most relevant studies on the activity of Mannich bases as antimycobacterial agents, antimalarials, or antiviral candidates have been included as well. The review contains also a thorough coverage of anticonvulsant, anti-inflammatory, analgesic and antioxidant activities of Mannich bases. In addition, several minor biological activities of Mannich bases, such as their ability to regulate blood pressure or inhibit platelet aggregation, their antiparasitic and anti-ulcer effects, as well as their use as agents for the treatment of mental disorders have been presented. The review gives in the end a brief overview of the potential of Mannich bases as inhibitors of various enzymes or ligands for several receptors. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

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

    Science.gov (United States)

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

    2011-04-08

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

  9. Understanding "Green Chemistry" and "Sustainability": An Example of Problem-Based Learning (PBL)

    Science.gov (United States)

    Günter, Tugçe; Akkuzu, Nalan; Alpat, Senol

    2017-01-01

    Background: This study uses problem-based learning (PBL) to ensure that students comprehend the significance of green chemistry better by experiencing the stages of identifying the problem, developing hypotheses, and providing solutions within the problem-solving process. Purpose: The aim of this study is to research the effect of PBL implemented…

  10. 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…

  11. Structurally Based Therapeutic Evaluation: A Therapeutic and Practical Approach to Teaching Medicinal Chemistry.

    Science.gov (United States)

    Alsharif, Naser Z.; And Others

    1997-01-01

    Explains structurally based therapeutic evaluation of drugs, which uses seven therapeutic criteria in translating chemical and structural knowledge into therapeutic decision making in pharmaceutical care. In a Creighton University (Nebraska) medicinal chemistry course, students apply the approach to solve patient-related therapeutic problems in…

  12. 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).…

  13. A Learning-Cycle-Based Organic Chemistry Laboratory Program for Students in Dietetics.

    Science.gov (United States)

    Mueller, William J.

    1982-01-01

    The laboratory of an organic chemistry course for dietetics students is based on the learning cycle approach (exploration, invention-concept introduction, and concept application). The laboratory program is divided into four sections: lab techniques, compound types, reaction types, and reaction characteristics. (SK)

  14. Team-Based Learning Reduces Attrition in a First-Semester General Chemistry Course

    Science.gov (United States)

    Comeford, Lorrie

    2016-01-01

    Team-based learning (TBL) is an instructional method that has been shown to reduce attrition and increase student learning in a number of disciplines. TBL was implemented in a first-semester general chemistry course, and its effect on attrition was assessed. Attrition from sections before implementing TBL (fall 2008 to fall 2009) was compared with…

  15. 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…

  16. Problem-Based Learning Method: Secondary Education 10th Grade Chemistry Course Mixtures Topic

    Science.gov (United States)

    Üce, Musa; Ates, Ismail

    2016-01-01

    In this research; aim was determining student achievement by comparing problem-based learning method with teacher-centered traditional method of teaching 10th grade chemistry lesson mixtures topic. Pretest-posttest control group research design is implemented. Research sample includes; two classes of (total of 48 students) an Anatolian High School…

  17. Problem-Based Learning in Teaching Chemistry: Enthalpy Changes in Systems

    Science.gov (United States)

    Ayyildiz, Yildizay; Tarhan, Leman

    2018-01-01

    Background: Problem-based learning (PBL) as a teaching strategy has recently become quite widespread in especially chemistry classes. Research has found that students, from elementary through college, have many alternative conceptions regarding "enthalpy changes in systems." Although there are several studies focused on identifying…

  18. 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.

  19. Students' Perceptions of a Project-Based Organic Chemistry Laboratory Environment: A Phenomenographic Approach

    Science.gov (United States)

    Burrows, Nikita L.; Nowak, Montana K.; Mooring, Suazette R.

    2017-01-01

    Students can perceive the laboratory environment in a variety of ways that can affect what they take away from the laboratory course. This qualitative study characterizes undergraduate students' perspectives of a project-based Organic Chemistry laboratory using the theoretical framework of phenomenography. Eighteen participants were interviewed in…

  20. 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…

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

    Science.gov (United States)

    Inner London Education Authority (England).

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

  2. 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…

  3. 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…

  4. Integration of Information Literacy Components into a Large First-Year Lecture-Based Chemistry Course

    Science.gov (United States)

    Locknar, Angela; Mitchell, Rudolph; Rankin, Janet; Sadoway, Donald R.

    2012-01-01

    A first-year chemistry course is ideal for introducing students to finding and using scholarly information early in their academic careers. A four-pronged approach (lectures, homework problems, videos, and model solutions) was used to incorporate library research skills into a large lecture-based course. Pre- and post-course surveying demonstrated…

  5. 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…

  6. 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…

  7. Conceptual Understanding of Acids and Bases Concepts and Motivation to Learn Chemistry

    Science.gov (United States)

    Cetin-Dindar, Ayla; Geban, Omer

    2017-01-01

    The purpose of this study was to investigate the effect of 5E learning cycle model oriented instruction (LCMI) on 11th-grade students' conceptual understanding of acids and bases concepts and student motivation to learn chemistry. The study, which lasted for 7 weeks, involved two groups: An experimental group (LCMI) and a control group (the…

  8. 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

  9. The Effectiveness of the Chemistry Problem Based Learning (PBL) via FB among Pre-University Students

    Science.gov (United States)

    Sunar, Mohd Shahir Mohamed; Shaari, Ahmad Jelani

    2017-01-01

    The impact of social media, such as Facebook in various fields including education is undeniable. The main objective of this study is to examine the effect of the interaction between students' learning styles and learning approaches on their achievements in the chemistry subject using the Problem-Based Learning (PBL) method through Facebook. The…

  10. Transition from Cookbook to Problem-Based Learning in a High School Chemistry Gas Law Investigation

    Science.gov (United States)

    McPherson, Heather

    2018-01-01

    In this article, the author describes a chemistry gas experiment that she developed with the intent of integrating inquiry and Problem-Based Learning (PBL). The lab activity follows the principles of Ambitious Science Teaching (AST). Teachers (1) engage students with important science ideas, (2) elicit students' ideas while making visible what…

  11. 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.

  12. 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.

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

    Science.gov (United States)

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

    2017-02-15

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

  14. Phenalenyl-based ligand for transition metal chemistry: Application ...

    Indian Academy of Sciences (India)

    mandal@iiserkol.ac.in. Abstract. We report the synthesis and characterization of the first transition metal complex of a phenalenyl- based ligand. The reaction of Cu(OAc)2.H2O with 9-N-methylamino-1-N -methylimino-phenalene (LH) in 1:1.

  15. 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

    2015-05-04

    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. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Recent Advances in Germanium-Based Photoinitiator Chemistry.

    Science.gov (United States)

    Haas, Michael; Radebner, Judith; Eibel, Anna; Gescheidt, Georg; Stueger, Harald

    2018-01-22

    Acylgermanes provide an outstanding photoinduced reactivity at very useful absorption wavelengths. This encouraged multidisciplinary research groups to utilize them as highly effective and non-toxic photoinitiators particularly for medical applications. In this Minireview, we present the most recent breakthroughs to synthesize acylgermanes. We also outline mechanistic aspects of photoinduced reactions of several acylgermane derivatives based on fundamental spectroscopic insights. These studies may aid future developments for tailor-made photoinitiators. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  17. An overview of benzo[b]thiophene-based medicinal chemistry.

    Science.gov (United States)

    Keri, Rangappa S; Chand, Karam; Budagumpi, Srinivasa; Balappa Somappa, Sasidhar; Patil, Siddappa A; Nagaraja, Bhari Mallanna

    2017-09-29

    Among sulfur containing heterocycles, benzothiophene and its derivatives are at the focus as these candidates have structural similarities with active compounds to develop new potent lead molecules in drug design. Benzo[b]thiophene scaffold is one of the privileged structures in drug discovery as this core exhibits various biological activities allowing them to act as anti-microbial, anti-cancer, anti-inflammatory, anti-oxidant, anti-tubercular, anti-diabetic, anti-convulsant agents and many more. Further, numerous benzothiophene-based compounds as clinical drugs have been extensively used to treat various types of diseases with high therapeutic potency, which has led to their extensive developments. Due to the wide range of biological activities of benzothiophene, their structure activity relationships (SAR) have generated interest among medicinal chemists, and this has culminated in the discovery of several lead molecules against numerous diseases. The present review is endeavoring to highlight the progress in the various pharmacological activities of benzo[b]thiophene derivatives. It is hoped that this review will be helpful for new thoughts in the quest for rational designs of more active and less toxic benzothiophene-based medicinal drugs, as well as more effective diagnostic agents and pathologic probes. Also, SAR studies that highlight the chemical groups responsible for evoking the potential activities of benzothiophene derivatives are studied and compared. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  18. Recent advance in oxazole-based medicinal chemistry.

    Science.gov (United States)

    Zhang, Hui-Zhen; Zhao, Zhi-Long; Zhou, Cheng-He

    2018-01-20

    Oxazole compounds containing nitrogen and oxygen atoms in the five-membered aromatic ring are readily able to bind with a variety of enzymes and receptors in biological systems via diverse non-covalent interactions, and thus display versatile biological activities. The related researches in oxazole-based derivatives including oxazoles, isoxazoles, oxazolines, oxadiazoles, oxazolidones, benzoxazoles and so on, as medicinal drugs have been an extremely active topic, and numerous excellent achievements have been acquired. Noticeably, a large number of oxazole compounds as clinical drugs or candidates have been frequently employed for the treatment of various types of diseases, which have shown their large development value and wide potential as medicinal agents. This work systematically reviewed the recent researches and developments of the whole range of oxazole compounds as medicinal drugs, including antibacterial, antifungal, antiviral, antitubercular, anticancer, anti-inflammatory and analgesic, antidiabetic, antiparasitic, anti-obesitic, anti-neuropathic, antioxidative as well as other biological activities. The perspectives of the foreseeable future in the research and development of oxazole-based compounds as medicinal drugs are also presented. It is hoped that this review will serve as a stimulant for new thoughts in the quest for rational designs of more active and less toxic oxazole medicinal drugs. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  19. Magnesite base desulfurizer of metallurgical physical chemistry research

    Directory of Open Access Journals (Sweden)

    G. D. Liu

    2017-01-01

    Full Text Available This topic put carbon thermal vacuum method in combination with magnesium based desulfurization technology with magnesite reduction of magnesium vapor directly on hot metal desulphurization. This is a new type of desulfurization technology, the retrieval related literature at home and abroad was not reported in the recent ten years, according to the relationship between heat of desulfurizer preparation MgO style content can reach 50 %.It was found that the desulfurizer sample with 50 % MgO content was in accordance with the requirements, without adding flux, but its viscosity did not meet the requirements; adding 1 % flux (CaF2, the sample viscosity was significantly reduced, and about 1 400 °C sample viscosity suitable for hot metal pretreatment desulfurization.

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

    International Nuclear Information System (INIS)

    Chang, Byoung Yong

    2012-01-01

    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

  1. [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.

  2. 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

  3. Using Structure-Based Organic Chemistry Online Tutorials with 2 Automated Correction for Student Practice and Review

    OpenAIRE

    O'Sullivan, Timothy; Hargaden, Grainne

    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 students to develop essential problem-solving skills in organic chemistry. This online approach may be used for both formative and summative assessment....

  4. Analytical chemistry

    International Nuclear Information System (INIS)

    Choi, Jae Seong

    1993-02-01

    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.

  5. 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.

  6. 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.

  7. Molecular materials and devices: developing new functional systems based on the coordination chemistry approach

    Directory of Open Access Journals (Sweden)

    Toma Henrique E.

    2003-01-01

    Full Text Available At the onset of the nanotechnology age, molecular designing of materials and single molecule studies are opening wide possibilities of using molecular systems in electronic and photonic devices, as well as in technological applications based on molecular switching or molecular recognition. In this sense, inorganic chemists are privileged by the possibility of using the basic strategies of coordination chemistry to build up functional supramolecular materials, conveying the remarkable chemical properties of the metal centers and the characteristics of the ancillary ligands. Coordination chemistry also provides effective self-assembly strategies based on specific metal-ligand affinity and stereochemistry. Several molecular based materials, derived from inorganic and metal-organic compounds are focused on this article, with emphasis on new supramolecular porphyrins and porphyrazines, metal-clusters and metal-polyimine complexes. Such systems are also discussed in terms of their applications in catalysis, sensors and molecular devices.

  8. The Impact of Incorporating Chemistry to Numerical Weather Prediction Models: An Ensemble-Based Sensitivity Analysis

    Science.gov (United States)

    Barnard, P. A.; Arellano, A. F.

    2011-12-01

    Data assimilation has emerged as an integral part of numerical weather prediction (NWP). More recently, atmospheric chemistry processes have been incorporated into NWP models to provide forecasts and guidance on air quality. There is, however, a unique opportunity within this coupled system to investigate the additional benefit of constraining model dynamics and physics due to chemistry. Several studies have reported the strong interaction between chemistry and meteorology through radiation, transport, emission, and cloud processes. To examine its importance to NWP, we conduct an ensemble-based sensitivity analysis of meteorological fields to the chemical and aerosol fields within the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) and the Data Assimilation Research Testbed (DART) framework. In particular, we examine the sensitivity of the forecasts of surface temperature and related dynamical fields to the initial conditions of dust and aerosol concentrations in the model over the continental United States within the summer 2008 time period. We use an ensemble of meteorological and chemical/aerosol predictions within WRF-Chem/DART to calculate the sensitivities. This approach is similar to recent ensemble-based sensitivity studies in NWP. The use of an ensemble prediction is appealing because the analysis does not require the adjoint of the model, which to a certain extent becomes a limitation due to the rapidly evolving models and the increasing number of different observations. Here, we introduce this approach as applied to atmospheric chemistry. We also show our initial results of the calculated sensitivities from joint assimilation experiments using a combination of conventional meteorological observations from the National Centers for Environmental Prediction, retrievals of aerosol optical depth from NASA's Moderate Resolution Imaging Spectroradiometer, and retrievals of carbon monoxide from NASA's Measurements of Pollution in the

  9. Promoting Student Development of Models and Scientific Inquiry Skills in Acid-Base Chemistry: An Important Skill Development in Preparation for AP Chemistry

    Science.gov (United States)

    Hale-Hanes, Cara

    2015-01-01

    In this study, two groups of 11th grade chemistry students (n = 210) performed a sequence of hands-on and virtual laboratories that were progressively more inquiry-based. One-half of the students did the laboratory sequence with the addition of a teacher-led discussion connecting student data to student-generated visual representations of…

  10. A review of drug delivery systems based on nanotechnology and green chemistry: green nanomedicine

    Directory of Open Access Journals (Sweden)

    Jahangirian H

    2017-04-01

    Full Text Available Hossein Jahangirian,1 Ensieh Ghasemian Lemraski,2 Thomas J Webster,1 Roshanak Rafiee-Moghaddam,3 Yadollah Abdollahi4 1Department of Chemical Engineering, Northeastern University, Boston, MA, USA; 2Department of Chemistry, Faculty of Science, Ilam University, Ilam, Iran; 3School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, Selangor, 4Department of Electrical Engineering, Faculty of Engineering, University of Malaysia, Kuala Lumpur, Malaysia Abstract: This review discusses the impact of green and environmentally safe chemistry on the field of nanotechnology-driven drug delivery in a new field termed “green nanomedicine”. Studies have shown that among many examples of green nanotechnology-driven drug delivery systems, those receiving the greatest amount of attention include nanometal particles, polymers, and biological materials. Furthermore, green nanodrug delivery systems based on environmentally safe chemical reactions or using natural biomaterials (such as plant extracts and microorganisms are now producing innovative materials revolutionizing the field. In this review, the use of green chemistry design, synthesis, and application principles and eco-friendly synthesis techniques with low side effects are discussed. The review ends with a description of key future efforts that must ensue for this field to continue to grow. Keywords: green chemistry, cancer, drug delivery, nanoparticle

  11. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors. (Auth.)

  12. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

    This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors

  13. 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

  14. 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…

  15. How are the Concepts and Theories of Acid-Base Reactions Presented? Chemistry in Textbooks and as Presented by Teachers

    Science.gov (United States)

    Furio-Mas, Carlos; Calatayud, Maria Luisa; Guisasola, Jenaro; Furio-Gomez, Cristina

    2005-01-01

    This paper investigates the views of science and scientific activity that can be found in chemistry textbooks and heard from teachers when acid-base reactions are introduced to grade 12 and university chemistry students. First, the main macroscopic and microscopic conceptual models are developed. Second, we attempt to show how the existence of…

  16. 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…

  17. Cycle water chemistry based on film forming amines at power plants: evaluation of technical guidance documents

    Science.gov (United States)

    Dyachenko, F. V.; Petrova, T. I.

    2017-11-01

    Efficiency and reliability of the equipment in fossil power plants as well as in combined cycle power plants depend on the corrosion processes and deposit formation in steam/water circuit. In order to decrease these processes different water chemistries are used. Today the great attention is being attracted to the application of film forming amines and film forming amine products. The International Association for the Properties of Water and Steam (IAPWS) consolidated the information from all over the World, and based on the research studies and operating experience of researchers and engineers from 21 countries, developed and authorized the Technical Guidance Document: “Application of Film Forming Amines in Fossil, Combined Cycle, and Biomass Power Plants” in 2016. This article describe Russian and International technical guidance documents for the cycle water chemistries based on film forming amines at fossil and combined cycle power plants.

  18. Lewis Acid-Base Chemistry of 7-Azaisoindigo-Based Organic Semiconductors.

    Science.gov (United States)

    Randell, Nicholas M; Fransishyn, Kyle M; Kelly, Timothy L

    2017-07-26

    Low-band-gap organic semiconductors are important in a variety of organic electronics applications, such as organic photovoltaic devices, photodetectors, and field effect transistors. Building on our previous work, which introduced 7-azaisoindigo as an electron-deficient building block for the synthesis of donor-acceptor organic semiconductors, we demonstrate how Lewis acids can be used to further tune the energies of the frontier molecular orbitals. Coordination of a Lewis acid to the pyridinic nitrogen of 7-azaisoindigo greatly diminishes the electron density in the azaisoindigo π-system, resulting in a substantial reduction in the lowest unoccupied molecular orbital (LUMO) energy. This results in a smaller highest occupied molecular orbital-LUMO gap and shifts the lowest-energy electronic transition well into the near-infrared region. Both H + and BF 3 are shown to coordinate to azaisoindigo and affect the energy of the S 0 → S 1 transition. A combination of time-dependent density functional theory and UV/vis and 1 H NMR spectroscopic titrations reveal that when two azaisoindigo groups are present and high concentrations of acid are used, both pyridinic nitrogens bind Lewis acids. Importantly, we demonstrate that this acid-base chemistry can be carried out at the solid-vapor interface by exposing thin films of aza-substituted organic semiconductors to vapor-phase BF 3 ·Et 2 O. This suggests the possibility of using the BF 3 -bound 7-azaisoindigo-based semiconductors as n-type materials in various organic electronic applications.

  19. 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.

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

    Science.gov (United States)

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

    2006-12-01

    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.

  1. Quality specifications of routine clinical chemistry methods based on sigma metrics in performance evaluation.

    Science.gov (United States)

    Xia, Jun; Chen, Su-Feng; Xu, Fei; Zhou, Yong-Lie

    2017-06-23

    Sigma metrics were applied to evaluate the performance of 20 routine chemistry assays, and individual quality control criteria were established based on the sigma values of different assays. Precisions were expressed as the average coefficient variations (CVs) of long-term two-level chemistry controls. The biases of the 20 assays were obtained from the results of trueness programs organized by National Center for Clinical Laboratories (NCCL, China) in 2016. Four different allowable total error (TEa) targets were chosen from biological variation (minimum, desirable, optimal), Clinical Laboratory Improvements Amendments (CLIA, US), Analytical Quality Specification for Routine Analytes in Clinical Chemistry (WS/T 403-2012, China) and the National Cholesterol Education Program (NECP). The sigma values from different TEa targets varied. The TEa targets for ALT, AMY, Ca, CHOL, CK, Crea, GGT, K, LDH, Mg, Na, TG, TP, UA and Urea were chosen from WS/T 403-2012; the targets for ALP, AST and GLU were chosen from CLIA; the target for K was chosen from desirable biological variation; and the targets for HDL and LDL were chosen from the NECP. Individual quality criteria were established based on different sigma values. Sigma metrics are an optimal tool to evaluate the performance of different assays. An assay with a high value could use a simple internal quality control rule, while an assay with a low value should be monitored strictly. © 2017 Wiley Periodicals, Inc.

  2. A review of drug delivery systems based on nanotechnology and green chemistry: green nanomedicine.

    Science.gov (United States)

    Jahangirian, Hossein; Lemraski, Ensieh Ghasemian; Webster, Thomas J; Rafiee-Moghaddam, Roshanak; Abdollahi, Yadollah

    2017-01-01

    This review discusses the impact of green and environmentally safe chemistry on the field of nanotechnology-driven drug delivery in a new field termed "green nanomedicine". Studies have shown that among many examples of green nanotechnology-driven drug delivery systems, those receiving the greatest amount of attention include nanometal particles, polymers, and biological materials. Furthermore, green nanodrug delivery systems based on environmentally safe chemical reactions or using natural biomaterials (such as plant extracts and microorganisms) are now producing innovative materials revolutionizing the field. In this review, the use of green chemistry design, synthesis, and application principles and eco-friendly synthesis techniques with low side effects are discussed. The review ends with a description of key future efforts that must ensue for this field to continue to grow.

  3. Computer modelling of the plasma chemistry and plasma-based growth mechanisms for nanostructured materials

    International Nuclear Information System (INIS)

    In this review paper, an overview is given of different modelling efforts for plasmas used for the formation and growth of nanostructured materials. This includes both the plasma chemistry, providing information on the precursors for nanostructure formation, as well as the growth processes itself. We limit ourselves to carbon (and silicon) nanostructures. Examples of the plasma modelling comprise nanoparticle formation in silane and hydrocarbon plasmas, as well as the plasma chemistry giving rise to carbon nanostructure formation, such as (ultra)nanocrystalline diamond ((U)NCD) and carbon nanotubes (CNTs). The second part of the paper deals with the simulation of the (plasma-based) growth mechanisms of the same carbon nanostructures, i.e. (U)NCD and CNTs, both by mechanistic modelling and detailed atomistic simulations.

  4. Determination of Quantum Chemistry Based Force Fields for Molecular Dynamics Simulations of Aromatic Polymers

    Science.gov (United States)

    Jaffe, Richard; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Ab initio quantum chemistry calculations for model molecules can be used to parameterize force fields for molecular dynamics simulations of polymers. Emphasis in our research group is on using quantum chemistry-based force fields for molecular dynamics simulations of organic polymers in the melt and glassy states, but the methodology is applicable to simulations of small molecules, multicomponent systems and solutions. Special attention is paid to deriving reliable descriptions of the non-bonded and electrostatic interactions. Several procedures have been developed for deriving and calibrating these parameters. Our force fields for aromatic polyimide simulations will be described. In this application, the intermolecular interactions are the critical factor in determining many properties of the polymer (including its color).

  5. Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY.

    Science.gov (United States)

    El Hage, Krystel; Pandyarajan, Vijay; Phillips, Nelson B; Smith, Brian J; Menting, John G; Whittaker, Jonathan; Lawrence, Michael C; Meuwly, Markus; Weiss, Michael A

    2016-12-30

    Insulin, a protein critical for metabolic homeostasis, provides a classical model for protein design with application to human health. Recent efforts to improve its pharmaceutical formulation demonstrated that iodination of a conserved tyrosine (Tyr B26 ) enhances key properties of a rapid-acting clinical analog. Moreover, the broad utility of halogens in medicinal chemistry has motivated the use of hybrid quantum- and molecular-mechanical methods to study proteins. Here, we (i) undertook quantitative atomistic simulations of 3-[iodo-Tyr B26 ]insulin to predict its structural features, and (ii) tested these predictions by X-ray crystallography. Using an electrostatic model of the modified aromatic ring based on quantum chemistry, the calculations suggested that the analog, as a dimer and hexamer, exhibits subtle differences in aromatic-aromatic interactions at the dimer interface. Aromatic rings (Tyr B16 , Phe B24 , Phe B25 , 3-I-Tyr B26 , and their symmetry-related mates) at this interface adjust to enable packing of the hydrophobic iodine atoms within the core of each monomer. Strikingly, these features were observed in the crystal structure of a 3-[iodo-Tyr B26 ]insulin analog (determined as an R 6 zinc hexamer). Given that residues B24-B30 detach from the core on receptor binding, the environment of 3-I-Tyr B26 in a receptor complex must differ from that in the free hormone. Based on the recent structure of a "micro-receptor" complex, we predict that 3-I-Tyr B26 engages the receptor via directional halogen bonding and halogen-directed hydrogen bonding as follows: favorable electrostatic interactions exploiting, respectively, the halogen's electron-deficient σ-hole and electronegative equatorial band. Inspired by quantum chemistry and molecular dynamics, such "halogen engineering" promises to extend principles of medicinal chemistry to proteins. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

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

    Science.gov (United States)

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

    2014-10-03

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

  7. 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…

  8. Supramolecular Pharmaceutical Sciences: A Novel Concept Combining Pharmaceutical Sciences and Supramolecular Chemistry with a Focus on Cyclodextrin-Based Supermolecules.

    Science.gov (United States)

    Higashi, Taishi; Iohara, Daisuke; Motoyama, Keiichi; Arima, Hidetoshi

    2018-01-01

    Supramolecular chemistry is an extremely useful and important domain for understanding pharmaceutical sciences because various physiological reactions and drug activities are based on supramolecular chemistry. However, it is not a major domain in the pharmaceutical field. In this review, we propose a new concept in pharmaceutical sciences termed "supramolecular pharmaceutical sciences," which combines pharmaceutical sciences and supramolecular chemistry. This concept could be useful for developing new ideas, methods, hypotheses, strategies, materials, and mechanisms in pharmaceutical sciences. Herein, we focus on cyclodextrin (CyD)-based supermolecules, because CyDs have been used not only as pharmaceutical excipients or active pharmaceutical ingredients but also as components of supermolecules.

  9. 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...

  10. Evaluating Student Motivation in Organic Chemistry Courses: Moving from a Lecture-Based to a Flipped Approach with Peer-Led Team Learning

    Science.gov (United States)

    Liu, Yujuan; Raker, Jeffrey R.; Lewis, Jennifer E.

    2018-01-01

    Academic Motivation Scale-Chemistry (AMS-Chemistry), an instrument based on the self-determination theory, was used to evaluate students' motivation in two organic chemistry courses, where one course was primarily lecture-based and the other implemented flipped classroom and peer-led team learning (Flip-PLTL) pedagogies. Descriptive statistics…

  11. Inquiry-based Laboratory Activities on Drugs Analysis for High School Chemistry Learning

    Science.gov (United States)

    Rahmawati, I.; Sholichin, H.; Arifin, M.

    2017-09-01

    Laboratory activity is an important part of chemistry learning, but cookbook instructions is still commonly used. However, the activity with that way do not improve students thinking skill, especially students creativity. This study aims to improve high school students creativity through inquiry-based laboratory on drugs analysis activity. Acid-base titration is used to be method for drugs analysis involving a color changing indicator. The following tools were used to assess the activity achievement: creative thinking test on acid base titration, creative attitude and action observation sheets, questionnaire of inquiry-based lab activities, and interviews. The results showed that the inquiry-based laboratory activity improving students creative thinking, creative attitude and creative action. The students reacted positively to this teaching strategy as demonstrated by results from questionnaire responses and interviews. This result is expected to help teachers to overcome the shortcomings in other laboratory learning.

  12. A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry.

    Science.gov (United States)

    Keri, Rangappa S; Patil, Mahadeo R; Patil, Siddappa A; Budagumpi, Srinivasa

    2015-01-07

    Benzothiazole (BTA) and its derivatives are the most important heterocyclic compounds, which are common and integral feature of a variety of natural products and pharmaceutical agents. BTA shows a variety of pharmacological properties, and its analogs offer a high degree of structural diversity that has proven useful for the search of new therapeutic agents. The broad spectrum of pharmacological activity in individual BTA derivative indicates that, this series of compounds is of an undoubted interest. The related research and developments in BTA-based medicinal chemistry have become a rapidly developing and increasingly active topic. Particularly, numerous BTA-based compounds as clinical drugs have been extensively used in practice to treat various types of diseases with high therapeutic potency. This work systematically gives a comprehensive review in current developments of BTA-based compounds in the whole range of medicinal chemistry as anticancer, antibacterial, antifungal, antiinflammatory, analgesic, anti-HIV, antioxidant, anticonvulsant, antitubercular, antidiabetic, antileishmanial, antihistaminic, antimalarial and other medicinal agents. It is believed that, this review article is helpful for new thoughts in the quest for rational designs of more active and less toxic BTA-based drugs, as well as more effective diagnostic agents and pathologic probes. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  13. Comprehensive review in current developments of imidazole-based medicinal chemistry.

    Science.gov (United States)

    Zhang, Ling; Peng, Xin-Mei; Damu, Guri L V; Geng, Rong-Xia; Zhou, Cheng-He

    2014-03-01

    Imidazole ring is an important five-membered aromatic heterocycle widely present in natural products and synthetic molecules. The unique structural feature of imidazole ring with desirable electron-rich characteristic is beneficial for imidazole derivatives to readily bind with a variety of enzymes and receptors in biological systems through diverse weak interactions, thereby exhibiting broad bioactivities. The related research and developments of imidazole-based medicinal chemistry have become a rapidly developing and increasingly active topic. Particularly, numerous imidazole-based compounds as clinical drugs have been extensively used in the clinic to treat various types of diseases with high therapeutic potency, which have shown the enormous development value. This work systematically gives a comprehensive review in current developments of imidazole-based compounds in the whole range of medicinal chemistry as anticancer, antifungal, antibacterial, antitubercular, anti-inflammatory, antineuropathic, antihypertensive, antihistaminic, antiparasitic, antiobesity, antiviral, and other medicinal agents, together with their potential applications in diagnostics and pathology. It is hoped that this review will be helpful for new thoughts in the quest for rational designs of more active and less toxic imidazole-based medicinal drugs, as well as more effective diagnostic agents and pathologic probes. © 2013 Wiley Periodicals, Inc.

  14. 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.

  15. 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

  16. UPLC-based metabonomic applications for discovering biomarkers of diseases in clinical chemistry.

    Science.gov (United States)

    Zhao, Ying-Yong; Cheng, Xian-Long; Vaziri, Nosratola D; Liu, Shuman; Lin, Rui-Chao

    2014-10-01

    Metabonomics is a powerful and promising analytic tool that allows assessment of global low-molecular-weight metabolites in biological systems. It has a great potential for identifying useful biomarkers for early diagnosis, prognosis and assessment of therapeutic interventions in clinical practice. The aim of this review is to provide a brief summary of the recent advances in UPLC-based metabonomic approach for biomarker discovery in a variety of diseases, and to discuss their significance in clinical chemistry. All the available information on UPLC-based metabonomic applications for discovering biomarkers of diseases were collected via a library and electronic search (using Web of Science, Pubmed, ScienceDirect, Springer, Google Scholar, etc.). Metabonomics has been used in clinical chemistry to identify and evaluate potential biomarkers and therapeutic targets in various diseases affecting the liver (hepatocarcinoma and liver cirrhosis), lung (lung cancer and pneumonia), gastrointestinal tract (colorectal cancer) and urogenital tract (prostate cancer, ovarian cancer and chronic kidney disease), as well as metabolic diseases (diabetes) and neuropsychiatric disorders (Alzheimer's disease and schizophrenia), etc. The information provided highlights the potential value of determination of endogenous low-molecular-weight metabolites and the advantages and potential drawbacks of the application of UPLC-based metabonomics in clinical setting. Copyright © 2014 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

  17. The development of a neutralizing amines based reagent for maintaining the water chemistry for medium and high pressures steam boilers

    Science.gov (United States)

    Butakova, M. V.; Orlov, K. A.; Guseva, O. V.

    2017-11-01

    An overview of the development for neutralizing amine based reagent for water chemistry of steam boilers for medium and high pressures was given. Total values of the neutralization constants and the distribution coefficients of the compositions selected as a main criteria for reagent composition. Experimental results of using this new reagent for water chemistry in HRSG of power plant in oil-production company are discussed.

  18. Matched molecular pair-based data sets for computer-aided medicinal chemistry

    Science.gov (United States)

    Bajorath, Jürgen

    2014-01-01

    Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound properties including biological activity, which are associated with well-defined structural modifications. Herein we describe up-to-date versions of three MMP-based data sets that have originated from in-house research projects. These data sets include activity cliffs, structure-activity relationship (SAR) transfer series, and second generation MMPs based upon retrosynthetic rules. The data sets have in common that they have been derived from compounds included in the ChEMBL database (release 17) for which high-confidence activity data are available. Thus, the activity data associated with MMP-based activity cliffs, SAR transfer series, and retrosynthetic MMPs cover the entire spectrum of current pharmaceutical targets. Our data sets are made freely available to the scientific community. PMID:24627802

  19. 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.

  20. Efficient exploration of large combinatorial chemistry spaces by monomer-based similarity searching.

    Science.gov (United States)

    Yu, Ning; Bakken, Gregory A

    2009-04-01

    In modern drug discovery, 2-D similarity searching is widely employed as a cost-effective way to screen large compound collections and select subsets of molecules that may have interesting biological activity prior to experimental screening. Nowadays, there is a growing interest in applying the existing 2-D similarity searching methods to combinatorial chemistry libraries to search for novel hits or to evolve lead series. A dilemma thus arises when many identical substructures recur in library products and they have to be considered repeatedly in descriptor calculations. The dilemma is exacerbated by the astronomical number of combinatorial products. This problem imposes a major barrier to similarity searching of large combinatorial chemistry spaces. An efficient approach, termed Monomer-based Similarity Searching (MoBSS), is proposed to remedy the problem. MoBSS calculates atom pair (AP) descriptors based on interatomic topological distances, which lend themselves to pair additivity. A fast algorithm is employed in MoBSS to rapidly compute product atom pairs from those of the constituent fragments. The details of the algorithm are presented along with a series of proof-of-concept studies, which demonstrate the speed, accuracy, and utility of the MoBSS approach.

  1. 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.

  2. 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.

  3. Evidence-Based Teacher Education: Becoming a Lifelong Research-Oriented Chemistry Teacher?

    Science.gov (United States)

    Aksela, Maija

    2010-01-01

    A novel professional development curriculum model has been implemented for a chemistry teacher education programme. The aim of this five-year programme is to educate future chemistry teachers as lifelong learners and researchers, capable of following developments in both chemistry and its teaching, implementing up-to-date research findings in…

  4. 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

  5. Antibodies, synthetic peptides and related constructs for planetary health based on green chemistry in the Anthropocene.

    Science.gov (United States)

    C Caoili, Salvador Eugenio

    2018-03-01

    The contemporary Anthropocene is characterized by rapidly evolving complex global challenges to planetary health vis-a-vis sustainable development, yet innovation is constrained under the prevailing precautionary regime that regulates technological change. Small-molecule xenobiotic drugs are amenable to efficient large-scale industrial synthesis; but their pharmacokinetics, pharmacodynamics, interactions and ultimate ecological impact are difficult to predict, raising concerns over initial testing and environmental contamination. Antibodies and similar agents can serve as antidotes and drug buffers or vehicles to address patient safety and decrease dosing requirements. More generally, peptidic agents including synthetic peptide-based constructs exemplified by vaccines can be used together with or instead of nonpeptidic xenobiotics, thus enabling advances in planetary health based on principles of green chemistry from manufacturing through final disposition.

  6. Combining Fungicides and Prospective NPR1-Based "Just-in-Time" Immunomodulating Chemistries for Crop Protection.

    Science.gov (United States)

    Kuai, Xiahezi; Barraco, Charles; Després, Charles

    2017-01-01

    Each year, crop yield is lost to weeds competing for resources, insect herbivory and diseases caused by pathogens. To thwart these insults and preserve yield security and a high quality of traits, conventional agriculture makes use of improved cultivars combined with fertilizer and agrochemical applications. However, given that regulatory bodies and consumers are demanding environmentally safer agrochemicals, while at the same time resistance to agrochemicals is mounting, it is crucial to adopt a "holistic" approach to agriculture by not excluding any number of management tools at our disposal. One such tool includes chemicals that stimulate plant immunity. The development of this particular type of alternative crop protection strategy has been of great interest to us. We have approached this paradigm by studying plant immunity, specifically systemic acquired resistance (SAR). The deployment of SAR immunity requires the production by the crop plant of an endogenous small molecule metabolite called salicylic acid (SA). Furthermore, immunity can only be deployed if SA can bind to its receptor and activate the genes responsible for the SAR program. The key receptor for SAR is a transcription coactivator called NPR1. Since discovering this NPR1-SA receptor-ligand pair, we have embarked on a journey to develop novel chemistries capable of deploying SAR in the field. The journey begins with the development of a scalable assay to identify these novel chemistries. One such assay, presented here, is based on differential scanning fluorimetry technology and demonstrates that NPR1 is destabilized by binding to SA.

  7. 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.

  8. General chemistry

    International Nuclear Information System (INIS)

    Kwon, Yeong Sik; Lee, Dong Seop; Ryu, Haung Ryong; Jang, Cheol Hyeon; Choi, Bong Jong; Choi, Sang Won

    1993-07-01

    The book concentrates on the latest general chemistry, which is divided int twenty-three chapters. It deals with basic conception and stoichiometry, nature of gas, structure of atoms, quantum mechanics, symbol and structure of an electron of ion and molecule, chemical thermodynamics, nature of solid, change of state and liquid, properties of solution, chemical equilibrium, solution and acid-base, equilibrium of aqueous solution, electrochemistry, chemical reaction speed, molecule spectroscopy, hydrogen, oxygen and water, metallic atom; 1A, IIA, IIIA, carbon and atom IVA, nonmetal atom and an inert gas, transition metals, lanthanons, and actinoids, nuclear properties and radioactivity, biochemistry and environment chemistry.

  9. 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

  10. The latest general chemistry

    International Nuclear Information System (INIS)

    Ryu, Geun Bae; Choi, Se Yeong; Kim, Chin Yeong; Yoon, Gil Jung; Lee, Eun Seok; Seo, Moon Gyu

    1995-02-01

    This book deals with the latest general chemistry, which is comprised of twenty-three chapters, the contents of this book are introduction, theory of atoms and molecule, chemical formula and a chemical reaction formula, structure of atoms, nature of atoms and the periodic table, structure of molecule and spectrum, gas, solution, solid, chemical combination, chemical reaction speed, chemical equilibrium, thermal chemistry, oxidation-reduction, electrochemistry, acid-base, complex, aquatic chemistry, air chemistry, nuclear chemistry, metal and nonmetal, organic chemistry and biochemistry. It has exercise in the end of each chapter.

  11. 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…

  12. Life-Cycle Thinking in Inquiry-Based Sustainability Education--Effects on Students' Attitudes towards Chemistry and Environmental Literacy

    Science.gov (United States)

    Juntunen, Marianne; Aksela, Maija

    2013-01-01

    The aim of the present study is to improve the quality of students' environmental literacy and sustainability education in chemistry teaching by combining the socio-scientific issue of life-cycle thinking with inquiry-based learning approaches. This case study presents results from an inquiry-based life-cycle thinking project: an interdisciplinary…

  13. 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…

  14. Dynamic combinatorial chemistry with hydrazones: cholate-based building blocks and libraries.

    Science.gov (United States)

    Simpson, Mark G; Pittelkow, Michael; Watson, Stephen P; Sanders, Jeremy K M

    2010-03-07

    We describe an efficient and general strategy for the synthesis of dimethyl acetal functionalised steroidal hydrazides based on the cholic acid skeleton with the aim of using these compounds as building blocks for dynamic combinatorial chemistry. Deprotection of the acetal protected building blocks with TFA leads to formation of libraries containing macrocyclic N-acyl hydrazone oligomers. The isolation of several of these, and their characterisation using NMR is described. The effects on the equilibrium library distribution by varying the substituents at C-7 and C-12, extending the side-chain with glycine, and inverting the configuration at C-3 are discussed. Finally, we report the exchange properties of these macrocycles and demonstrate new examples of proof-reading and self-sorting in dynamic combinatorial libraries.

  15. Comprehensive Review in Current Developments of Benzimidazole-Based Medicinal Chemistry.

    Science.gov (United States)

    Keri, Rangappa S; Hiremathad, Asha; Budagumpi, Srinivasa; Nagaraja, Bhari Mallanna

    2015-07-01

    The properties of benzimidazole and its derivatives have been studied over more than one hundred years. Benzimidazole derivatives are useful intermediates/subunits for the development of molecules of pharmaceutical or biological interest. Substituted benzimidazole derivatives have found applications in diverse therapeutic areas such as antiulcer, anticancer agents, and anthelmintic species to name just a few. This work systematically gives a comprehensive review in current developments of benzimidazole-based compounds in the whole range of medicinal chemistry as anticancer, antibacterial, antifungal, anti-inflammatory, analgesic agents, anti-HIV, antioxidant, anticonvulsant, antitubercular, antidiabetic, antileishmanial, antihistaminic, antimalarial agents, and other medicinal agents. This review will further be helpful for the researcher on the basis of substitution pattern around the nucleus with an aim to help medicinal chemists for developing an SAR on benzimidazole drugs/compounds. © 2014 John Wiley & Sons A/S.

  16. 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.

  17. 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. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Wastewater treatment using hybrid treatment schemes based on cavitation and Fenton chemistry: a review.

    Science.gov (United States)

    Bagal, Manisha V; Gogate, Parag R

    2014-01-01

    Advanced oxidation processes such as cavitation and Fenton chemistry have shown considerable promise for wastewater treatment applications due to the ease of operation and simple reactor design. In this review, hybrid methods based on cavitation coupled with Fenton process for the treatment of wastewater have been discussed. The basics of individual processes (Acoustic cavitation, Hydrodynamic cavitation, Fenton chemistry) have been discussed initially highlighting the need for combined processes. The different types of reactors used for the combined processes have been discussed with some recommendations for large scale operation. The effects of important operating parameters such as solution temperature, initial pH, initial pollutant concentration and Fenton's reagent dosage have been discussed with guidelines for selection of optimum parameters. The optimization of power density is necessary for ultrasonic processes (US) and combined processes (US/Fenton) whereas the inlet pressure needs to be optimized in the case of Hydrodynamic cavitation (HC) based processes. An overview of different pollutants degraded under optimized conditions using HC/Fenton and US/Fenton process with comparison with individual processes have been presented. It has been observed that the main mechanism for the synergy of the combined process depends on the generation of additional hydroxyl radicals and its proper utilization for the degradation of the pollutant, which is strongly dependent on the loading of hydrogen peroxide. Overall, efficient wastewater treatment with high degree of energy efficiency can be achieved using combined process operating under optimized conditions, as compared to the individual process. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. 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…

  20. 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.

  1. 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

  2. CuAAC-Based Click Chemistry in Self-Healing Polymers.

    Science.gov (United States)

    Döhler, Diana; Michael, Philipp; Binder, Wolfgang H

    2017-10-17

    Click chemistry has emerged as a significant tool for materials science, organic chemistry, and bioscience. Based on the initial concept of Barry Sharpless in 2001, the copper(I)-catalyzed azide/alkyne cycloaddition (CuAAC) reaction has triggered a plethora of chemical concepts for linking molecules and building blocks under ambient conditions, forming the basis for applications in autonomous cross-linking materials. Self-healing systems on the other hand are often based on mild cross-linking chemistries that are able to react either autonomously or upon an external trigger. In the ideal case, self-healing takes place efficiently at low temperatures, independent of the substrate(s) used, by forming strong and stable networks, binding to the newly generated (cracked) interfaces to restore the original material properties. The use of the CuAAC in self-healing systems, most of all the careful design of copper-based catalysts linked to additives as well as the chemical diversity of substrates, has led to an enormous potential of applications of this singular reaction. The implementation of click-based strategies in self-healing systems therefore is highly attractive, as here chemical (and physical) concepts of molecular reactivity, molecular design, and even metal catalysis are connected to aspects of materials science. In this Account, we will show how CuAAC reactions of multivalent components can be used as a tool for self-healing materials, achieving cross-linking at low temperatures (exploiting concepts of autocatalysis or internal chelation within the bulk CuAAC and systematic optimization of the efficiency of the used Cu(I) catalysts). Encapsulation strategies to separate the click components by micro- and nanoencapsulation are required in this context. Consequently, the examples reported here describe chemical concepts to realize more efficient and faster click reactions in self-healing polymeric materials. Thus, enhanced chain diffusion in (hyper

  3. Genetic Code Expansion- and Click Chemistry-Based Site-Specific Protein Labeling for Intracellular DNA-PAINT Imaging.

    Science.gov (United States)

    Nikić-Spiegel, Ivana

    2018-01-01

    Super-resolution microscopy allows imaging of cellular structures at nanometer resolution. This comes with a demand for small labels which can be attached directly to the structures of interest. In the context of protein labeling, one way to achieve this is by using genetic code expansion (GCE) and click chemistry. With GCE, small labeling handles in the form of noncanonical amino acids (ncAAs) are site-specifically introduced into a target protein. In a subsequent step, these amino acids can be directly labeled with small organic dyes by click chemistry reactions. Click chemistry labeling can also be combined with other methods, such as DNA-PAINT in which a "clickable" oligonucleotide is first attached to the ncAA-bearing target protein and then labeled with complementary fluorescent oligonucleotides. This protocol will cover both aspects: I describe (1) how to encode ncAAs and perform intracellular click chemistry-based labeling with an improved GCE system for eukaryotic cells and (2) how to combine click chemistry-based labeling with DNA-PAINT super-resolution imaging. As an example, I show click-PAINT imaging of vimentin and low-abundance nuclear protein, nucleoporin 153.

  4. 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.

  5. Aircraft-based investigation of Dynamics-Aerosol-Chemistry-Cloud Interactions in Southern West Africa

    Science.gov (United States)

    Flamant, Cyrille

    2017-04-01

    The EU-funded project DACCIWA (Dynamics-Aerosol-Chemistry-Cloud Interactions in West Africa, http://www.dacciwa.eu) is investigating the relationship between weather, climate and air pollution in southern West Africa. The air over the coastal region of West Africa is a unique mixture of natural and anthropogenic gases, liquids and particles, emitted in an environment, in which multi-layer cloud decks frequently form. These exert a large influence on the local weather and climate, mainly due to their impact on radiation, the surface energy balance and thus the diurnal cycle of the atmospheric boundary layer. The main objective for the aircraft detachment was to build robust statistics of cloud properties in southern West Africa in different chemical landscapes to investigate the physical processes involved in their life cycle in such a complex chemical environment. As part of the DACCIWA field campaigns, three European aircraft (the German DLR Falcon 20, the French SAFIRE ATR 42 and the British BAS Twin Otter) conducted a total of 50 research flights across Ivory Coast, Ghana, Togo, and Benin from 27 June to 16 July 2016 for a total of 155 flight hours, including hours sponsored through 3 EUFAR projects. The aircraft were used in different ways based on their strengths, but all three had comparable instrumentation with the the capability to do gas-phase chemistry, aerosol and clouds, thereby generating a rich dataset of atmospheric conditions across the region. Eight types of flight objectives were conducted to achieve the goals of the DACCIWA: (i) Stratus clouds, (ii) Land-sea breeze clouds, (iii) Mid-level clouds, (iv) Biogenic emission, (v) City emissions, (vi) Flaring and ship emissions, (vii) Dust and biomass burning aerosols, and (viii) air-sea interactions. An overview of the DACCIWA aircraft campaign as well as first highlights from the airborne observations will be presented.

  6. Improving General Chemistry Course Performance through Online Homework-Based Metacognitive Training

    Science.gov (United States)

    Casselman, Brock L.; Atwood, Charles H.

    2017-01-01

    In a first-semester general chemistry course, metacognitive training was implemented as part of an online homework system. Students completed weekly quizzes and multiple practice tests to regularly assess their abilities on the chemistry principles. Before taking these assessments, students predicted their score, receiving feedback after…

  7. 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…

  8. 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

  9. An Inquiry-Based Chemistry Laboratory Promoting Student Discovery of Gas Laws

    Science.gov (United States)

    Bopegedera, A. M. R. P.

    2007-01-01

    Gas laws are taught in most undergraduate general chemistry courses and even in some high school chemistry courses. This article describes the author's experience of using the laboratory to allow students to "discover" gas laws instead of the conventional approach of using the lecture to teach this concept. Students collected data using Vernier…

  10. Robustness analysis of a green chemistry-based model for the classification of silver nanoparticles synthesis processes

    Science.gov (United States)

    This paper proposes a robustness analysis based on Multiple Criteria Decision Aiding (MCDA). The ensuing model was used to assess the implementation of green chemistry principles in the synthesis of silver nanoparticles. Its recommendations were also compared to an earlier develo...

  11. 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…

  12. Construction of Context-Based Module: How OLED can be used as a Context in High School Chemistry Instruction

    Science.gov (United States)

    Anugrah, I. R.; Mudzakir, A.; Sumarna, O.

    2017-09-01

    Teaching materials used in Indonesia generally just emphasize remembering skill so that the students’ science literacy is low. Innovation is needed to transform traditional teaching materials so that it can stimulate students’ science literacy, one of which is by context-based approach. This study focused on the construction of context-based module for high school using Organic Light-Emitting Diode (OLED) topics. OLED was chosen because it is an up-to-date topic and relevant to real life. This study used Model of Educational Reconstruction (MER) to reconstruct science content structure about OLED through combining scientist’s perspectives with student’s preconceptions and national curriculum. Literature review of OLED includes its definition, components, characteristics and working principle. Student’s preconceptions about OLED are obtained through interviews. The result shows that student’s preconceptions have not been fully similar with the scientist’s perspective. One of the reasons is that some of the related Chemistry concepts are too complicated. Through curriculum analysis, Chemistry about OLED that are appropriate for high school are Bohr’s atomic theory, redox and organic chemistry including polymers and aromatics. The OLED context and its Chemistry concept were developed into context-based module by adapting science literacy-based learning. This module is expected to increase students’ science literacy performance.

  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. Synthesis and ligand-based reduction chemistry of boron difluoride complexes with redox-active formazanate ligands

    NARCIS (Netherlands)

    Chang, M. -C.; Otten, E.

    2014-01-01

    Mono(formazanate) boron difluoride complexes (LBF2), which show remarkably facile and reversible ligand-based redox-chemistry, were synthesized by transmetallation of bis(formazanate) zinc complexes with boron trifluoride. The one-electron reduction product [LBF2](-)[Cp2Co](+) and a key intermediate

  15. 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…

  16. Students' Critical Thinking Skills in Chemistry Learning Using Local Culture-Based 7E Learning Cycle Model

    Science.gov (United States)

    Suardana, I. Nyoman; Redhana, I. Wayan; Sudiatmika, A. A. Istri Agung Rai; Selamat, I. Nyoman

    2018-01-01

    This research aimed at describing the effectiveness of the local culture-based 7E learning cycle model in improving students' critical thinking skills in chemistry learning. It was an experimental research with post-test only control group design. The population was the eleventh-grade students of senior high schools in Singaraja, Indonesia. The…

  17. Problem-Based Learning in Undergraduate Instruction. A Sophomore Chemistry Laboratory

    Science.gov (United States)

    Ram, Preetha

    1999-08-01

    Problem-based learning (PBL) is a pedagogical approach based on recent advances in cognitive science research on human learning. PBL has been used in medical schools for many years. This paper describes the application of PBL in undergraduate courses and discusses the specific needs of this environment. Practical information and guidance are given on how to develop a challenging problem, how to ensure coverage of syllabus topics, how to structure the discussions, and how to evaluate the progress of the course. The paper describes an implementation of PBL methodologies in an undergraduate science course. In this course, students work with a voluntary environmental advocacy group, the Upper Chattahoochee RiverKeeper, to monitor the quality of water in the Chattahoochee watershed. Students learn experimental analytical chemistry techniques and problem-solving skills in this context. A PBL classroom is organized around collaborative problem-solving activities, which provide a context for learning and discovery. Students show enthusiasm and motivation to learn, and they achieve a deeper understanding of the material because it is information they have learned in a context of an interesting problem. PBL also provides them with an opportunity to acquire effective problem-solving techniques and to improve their communication skills and their ability to work in cooperative groups.

  18. Fluorometric method for inorganic pyrophosphatase activity detection and inhibitor screening based on click chemistry.

    Science.gov (United States)

    Xu, Kefeng; Chen, Zhonghui; Zhou, Ling; Zheng, Ou; Wu, Xiaoping; Guo, Longhua; Qiu, Bin; Lin, Zhenyu; Chen, Guonan

    2015-01-06

    A fluorometric method for pyrophosphatase (PPase) activity detection was developed based on click chemistry. Cu(II) can coordinate with pyrophosphate (PPi), the addition of pyrophosphatase (PPase) into the above system can destroy the coordinate compound because PPase catalyzes the hydrolysis of PPi into inorganic phosphate and produces free Cu(II), and free Cu(II) can be reduced by sodium ascorbate (SA) to form Cu(I), which in turn initiates the ligating reaction between nonfluorescent 3-azidocoumarins and terminal alkynes to produce a highly fluorescent triazole complex, based on which, a simple and sensitive turn on fluorometric method for PPase can be developed. The fluorescence intensity of the system has a linear relationship with the logarithm of the PPase concentration in the range of 0.5 and 10 mU with a detection limit down to 0.2 mU (S/N = 3). This method is cost-effective and convenient without any labels or complicated operations. The proposed system was applied to screen the potential PPase inhibitor with high efficiency. The proposed method can be applied to diagnosis of PPase-related diseases.

  19. 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. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. 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

  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. Using Problem-Based Learning in a Chemistry Practical Class for Pharmacy Students and Engaging Them with Feedback.

    Science.gov (United States)

    Strohfeldt, Katja; Khutoryanskaya, Olga

    2015-11-25

    To introduce a new approach to problem-based learning (PBL) used in a medicinal chemistry practical class for pharmacy students. The chemistry practical class was based on independent studies by small groups of undergraduate students (4-5), who designed their own practical work, taking relevant professional standards into account. Students were guided by feedback and acquired a set of skills important for health-care professionals. The model was tailored to the application of PBL in a chemistry practical class setting for a large student cohort (150 students). The achievement of learning outcomes was based on the submission of relevant documentation, including a certificate of analysis, in addition to peer assessment. Some of the learning outcomes also were assessed in the final written examination. The practical was assessed at several time points using detailed marking schemes in order to provide the students with feedback. Students were required to engage with the feedback to succeed in the practical. A novel PBL chemistry laboratory course for pharmacy students was successful in that self-reflective learning and engagement with feedback were encouraged, and students enjoyed the challenging learning experience. Essential skills for health-care professionals were also promoted.

  3. 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 ...

  4. 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. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

    International Nuclear Information System (INIS)

    Chiang Yuchun; Lee, C.-Y.; Lee, H.-C.

    2007-01-01

    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

  6. Hydrogels Based on Dynamic Covalent and Non Covalent Bonds: A Chemistry Perspective

    Directory of Open Access Journals (Sweden)

    Francesco Picchioni

    2018-03-01

    Full Text Available Hydrogels based on reversible covalent bonds represent an attractive topic for research at both academic and industrial level. While the concept of reversible covalent bonds dates back a few decades, novel developments continue to appear in the general research area of gels and especially hydrogels. The reversible character of the bonds, when translated at the general level of the polymeric network, allows reversible interaction with substrates as well as responsiveness to variety of external stimuli (e.g., self-healing. These represent crucial characteristics in applications such as drug delivery and, more generally, in the biomedical world. Furthermore, the several possible choices that can be made in terms of reversible interactions generate an almost endless number of possibilities in terms of final product structure and properties. In the present work, we aim at reviewing the latest developments in this field (i.e., the last five years by focusing on the chemistry of the systems at hand. As such, this should allow molecular designers to develop a toolbox for the synthesis of new systems with tailored properties for a given application.

  7. Structure vs chemistry: friction and wear of Pt-based metallic surfaces.

    Science.gov (United States)

    Caron, A; Louzguine-Luzguin, D V; Bennewitz, R

    2013-11-13

    In comparison of a Pt57.5Cu14.7Ni5.3P22.5 metallic glass with a Pt(111) single crystal we find that wearless friction is determined by chemistry through bond formation alloying, while wear is determined by structure through plasticity mechanisms. In the wearless regime, friction is affected by the chemical composition of the counter body and involves the formation of a liquid-like neck and interfacial alloying. The wear behavior of Pt-based metallic surfaces is determined by their structural properties and corresponding mechanisms for plastic deformation. In the case of Pt(111) wear occurs by dislocation-mediated homogeneous plastic deformation. In contrast the wear of Pt57.5Cu14.7Ni5.3P22.5 metallic glass occurs through localized plastic deformation in shear bands that merge together in a single shear zone above a critical load and corresponds to the shear softening of metallic glasses. These results open a new route in the control of friction and wear of metals and are relevant for the development of self-lubricated and wear-resistant mechanical devices.

  8. The Teaching of Biochemistry: An Innovative Course Sequence Based on the Logic of Chemistry

    Science.gov (United States)

    Jakubowski, Henry V.; Owen, Whyte G.

    1998-06-01

    An innovative course sequence for the teaching of biochemistry is offered, which more truly reflects the common philosophy found in biochemistry texts: that the foundation of biological phenomena can best be understood through the logic of chemistry. Topic order is chosen to develop an emerging understanding that is based on chemical principles. Preeminent biological questions serve as a framework for the course. Lipid and lipid-aggregate structures are introduced first, since it is more logical to discuss the intermolecular association of simple amphiphiles to form micelle and bilayer formations than to discuss the complexities of protein structure/folding. Protein, nucleic acid, and carbohydrate structures are studied next. Binding, a noncovalent process and the simplest expression of macromolecular function, follows. The physical (noncovalent) transport of solute molecules across a biological membrane is studied next, followed by the chemical transformation of substrates by enzymes. These are logical extensions of the expression of molecular function, first involving a simpler (physical transport) and second, a more complex (covalent transformation) process. The final sequence involves energy and signal transduction. This unique course sequence emerges naturally when chemical logic is used as an organizing paradigm for structuring a biochemistry course. Traditional order, which seems to reflect historic trends in research, or even an order derived from the central dogma of biology can not provide this logical framework.

  9. 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.

  10. STUDYING STUDENT BEHAVIOR AND CHEMISTRY SKILL USING BROWSER-BASED TOOLS AND EYE-TRACKING HARDWARE

    Directory of Open Access Journals (Sweden)

    Norbert J. Pienta

    Full Text Available Browser-based tools were created to collect quantitative data about university student problem-solving skills. Three of these tools have been described: a word question tool that creates ideal gas law and stoichiometry questions using a set of complexity factors; a Lewis structure drawing tool that enables the user to draw a solution to an ion or molecule assigned to them; and a "spheres" tool that uses spheres to represent atoms and molecules to denote the particulate nature of matter. Results from these studies show that relatively simple questions can be made very complex by the addition of many complexity factors that challenge the cognitive skills. The drawing tools can be used for instruction or to collect data about student understanding; the outcomes suggest that students with more instruction in chemistry are more successful but even the performance of students after four semesters is somewhat disappointing. Eye-tracking hardware enabled the study of the student use of the visual interface of the other tools and to study molecular representation or interpret spectral data.

  11. Chemistry based on renewable raw materials: perspectives for a sugar cane-based biorefinery.

    Science.gov (United States)

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

    2011-01-01

    Carbohydrates are nowadays a very competitive feedstock for the chemical industry because their availability is compatible with world-scale chemical production and their price, based on the carbon content, is comparable to that of petrochemicals. At the same time, demand is rising for biobased products. Brazilian sugar cane is a competitive feedstock source that is opening the door to a wide range of bio-based products. This essay begins with the importance of the feedstock for the chemical industry and discusses developments in sugar cane processing that lead to low cost feedstocks. Thus, sugar cane enables a new chemical industry, as it delivers a competitive raw material and a source of energy. As a result, sugar mills are being transformed into sustainable biorefineries that fully exploit the potential of sugar cane.

  12. The Impact of a Teaching-Learning Program Based on a Brain-Based Learning on the Achievement of the Female Students of 9th Grade in Chemistry

    Science.gov (United States)

    Shabatat, Kawthar; Al-Tarawneh, Mohammed

    2016-01-01

    This study aimed at recognizing the impact of teaching-learning program based on a brain-based learning on the achievement of female students of 9th grade in chemistry, to accomplish the goal of this study the researchers designed instruments of: instructional plans, pre achievement and past achievement exams to use them for the study-validity and…

  13. Feasibility of Affibody-Based Bioorthogonal Chemistry-Mediated Radionuclide Pretargeting.

    Science.gov (United States)

    Altai, Mohamed; Perols, Anna; Tsourma, Maria; Mitran, Bogdan; Honarvar, Hadis; Robillard, Marc; Rossin, Raffaella; ten Hoeve, Wolter; Lubberink, Mark; Orlova, Anna; Karlström, Amelie Eriksson; Tolmachev, Vladimir

    2016-03-01

    Affibody molecules constitute a new class of probes for radionuclide tumor targeting. The small size of Affibody molecules is favorable for rapid localization in tumors and clearance from circulation. However, high renal reabsorption of Affibody molecules prevents the use of residualizing radiometals, including several promising low-energy β- and α-emitters, for radionuclide therapy. We tested a hypothesis that Affibody-based pretargeting mediated by a bioorthogonal interaction between trans-cyclooctene (TCO) and tetrazine would provide higher accumulation of radiometals in tumor xenografts than in the kidneys. TCO was conjugated to the anti-human epidermal growth factor receptor 2 (HER2) Affibody molecule Z2395. DOTA-tetrazine was labeled with (111)In and (177)Lu. In vitro pretargeting was studied in HER2-expressing SKOV-3 and BT474 cell lines. In vivo studies were performed on BALB/C nu/nu mice bearing SKOV-3 xenografts. (125)I-Z2395-TCO bound specifically to HER2-expressing cells in vitro with an affinity of 45 ± 16 pM. (111)In-tetrazine bound specifically and selectively to Z2395-TCO pretreated cells. In vivo studies demonstrated HER2-specific (125)I-Z2395-TCO accumulation in xenografts. TCO-mediated (111)In-tetrazine localization was shown in tumors, when the radiolabeled tracer was injected 4 h after an injection of Z2395-TCO. At 1 h after injection, the tumor uptake of (111)In-tetrazine and (177)Lu-tetrazine was approximately 2-fold higher than the renal uptake. Pretargeting provided more than a 56-fold reduction of renal uptake of (111)In in comparison with direct targeting. The feasibility of Affibody-based bioorthogonal chemistry-mediated pretargeting was demonstrated. The use of pretargeting provides a substantial reduction of radiometal accumulation in kidneys, creating preconditions for palliative radionuclide therapy. © 2016 by the Society of Nuclear Medicine and Molecular Imaging, Inc.

  14. Maternal and fetal Acid-base chemistry: a major determinant of perinatal outcome.

    Science.gov (United States)

    Omo-Aghoja, L

    2014-01-01

    Very small changes in pH may significantly affect the function of various fetal organ systems, such as the central nervous system, and the cardiovascular system with associated fetal distress and poor Apgar score. Review of existing data on maternal-fetal acid-base balance in pregnancy highlight the factors that are associated with derangements of the acid-base status and the impact of the derangements on fetal outcome. Extensive search of electronic databases and manual search of journals for relevant literature on maternal and fetal acid chemistry, clinical studies and case studies were undertaken. There is a substantial reduction in the partial pressure of carbon dioxide (pCO2) in pregnancy. Adequate buffering prevents significant changes in maternal arterial pH. Normal fetal metabolism results in the production of acids which are buffered to maintain extracellular pH within a critical range. Fetal hypoxia can occur when maternal oxygenation is compromised, maternal perfusion of the placenta is reduced, or delivery of oxygenated blood from the placenta to the fetus is impeded. When adequate fetal oxygenation does not occur, metabolisms proceed along with an anaerobic pathway with production of organic acids, such as lactic acid. Accumulation of lactic acid can deplete the buffer system and result in metabolic acidosis with associated low fetal pH, fetal distress and poor Apgar score. There is a significant reduction in pCO2 in pregnancy. This change, however, does not result in a corresponding significant reduction in maternal arterial pH, because of adequate buffering. Very small changes in pH may cause significant derangement in fetal function and outcome.

  15. 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.

  16. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  17. Transport of oxidized multi-walled carbon nanotubes through silica based porous media: influences of aquatic chemistry, surface chemistry, and natural organic matter.

    Science.gov (United States)

    Yang, Jin; Bitter, Julie L; Smith, Billy A; Fairbrother, D Howard; Ball, William P

    2013-12-17

    This paper provides results from studies of the transport of oxidized multi-walled carbon nanotubes (O-MWCNTs) of varying surface oxygen concentrations under a range of aquatic conditions and through uniform silica glass bead media. In the presence of Na(+), the required ionic strength (IS) for maximum particle attachment efficiency (i.e., the critical deposition concentration, or CDC) increased as the surface oxygen concentration of the O-MWCNTs or pH increased, following qualitative tenets of theories based on electrostatic interactions. In the presence of Ca(2+), CDC values were lower than those with Na(+) present, but were no longer sensitive to surface oxygen content, suggesting that Ca(2+) impacts the interactions between O-MWCNTs and glass beads by mechanisms other than electrostatic alone. The presence of Suwannee River natural organic matter (SRNOM) decreased the attachment efficiency of O-MWCNTs in the presence of either Na(+) or Ca(2+), but with more pronounced effects when Na(+) was present. Nevertheless, low concentrations of SRNOM (organic carbon) were sufficient to mobilize all O-MWCNTs studied at CaCl2 concentrations as high as 10 mM. Overall, this study reveals that NOM content, pH, and cation type show more importance than surface chemistry in affecting O-MWCNTs deposition during transport through silica-based porous media.

  18. 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...

  19. CHEMISTRY TEACHING BY MEANS OF ICT-BASED RESOURCES WITH THE REGARD FOR PREFERRED LEARNING STYLES OF UNIVERSITY STUDENTS

    Directory of Open Access Journals (Sweden)

    T.M. Derkach

    2013-03-01

    Full Text Available Expediency and effectiveness of the use of various ICT-based learning resources in teaching of basic chemistry disciplines was studied. Preferred learning styles of 46 graduate students were assessed by the Felder-Soloman Index of Learning Styles. More than a half of 45 considered resources were found to be dependent on students’ preferred learning style. Certain corrections in the use of style-dependent resources are necessary to improve conformity with students’ learning preferences.

  20. Improve Outcomes Study subjects Chemistry Teaching and Learning Strategies through independent study with the help of computer-based media

    Science.gov (United States)

    Sugiharti, Gulmah

    2018-03-01

    This study aims to see the improvement of student learning outcomes by independent learning using computer-based learning media in the course of STBM (Teaching and Learning Strategy) Chemistry. Population in this research all student of class of 2014 which take subject STBM Chemistry as many as 4 class. While the sample is taken by purposive as many as 2 classes, each 32 students, as control class and expriment class. The instrument used is the test of learning outcomes in the form of multiple choice with the number of questions as many as 20 questions that have been declared valid, and reliable. Data analysis techniques used one-sided t test and improved learning outcomes using a normalized gain test. Based on the learning result data, the average of normalized gain values for the experimental class is 0,530 and for the control class is 0,224. The result of the experimental student learning result is 53% and the control class is 22,4%. Hypothesis testing results obtained t count> ttable is 9.02> 1.6723 at the level of significance α = 0.05 and db = 58. This means that the acceptance of Ha is the use of computer-based learning media (CAI Computer) can improve student learning outcomes in the course Learning Teaching Strategy (STBM) Chemistry academic year 2017/2018.

  1. Evaluation of computer-based learning material for food chemistry education

    NARCIS (Netherlands)

    Diederen, J.; Gruppen, H.; Hartog, R.J.M.; Voragen, A.G.J.

    2005-01-01

    Digital exercises were designed and developed for food chemistry education. During the design process, design requirements were described for such exercises. The exercises were evaluated in three case studies, firstly to determine whether the exercises satisfy the design requirements with respect to

  2. 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…

  3. Applications of monolithic columns in liquid chromatography-based clinical chemistry assays.

    Science.gov (United States)

    Bunch, Dustin R; Wang, Sihe

    2011-08-01

    Monolithic columns have slowly been applied to HPLC methods for clinical chemistry testing in the last 10 years. The application areas include therapeutic drug monitoring, drugs of abuse, vitamins, porphyrins, and steroids. In comparison with conventional particulate columns, the monolithic columns may offer shorter chromatography time, more robustness, and better resolution for certain analytes. The potential drawback of large mobile phase consumption may be improved with smaller id columns, which are currently on the market. Methods covered in this review are those searchable in PubMed up to December 2010. This review highlights the emergence of monolithic column technology in HPLC methods used for clinical chemistry testing. The goals of this review are threefold: (i) To identify the areas of clinical chemistry that analytical monolithic columns have been used in HPLC methods. (ii) To demonstrate the application of analytical monolithic columns in HPLC methods using different detection systems. (iii) To discuss the advantages and limitations of the monolithic columns compared with particulate columns in the clinical chemistry applications. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Transformative Research-Based Pedagogy Workshops for Chemistry Graduate Students and Postdocs

    Science.gov (United States)

    Bauer, Christopher; Libby, R. Daniel; Scharberg, Maureen; Reider, David

    2013-01-01

    One-day professional development workshops for graduate students and postdocs were held at top National Research Council--ranked chemistry research departments. Attendees intend to pursue academic careers, yet their experience and knowledge about teaching and learning were small. Postsurveys indicated that despite the short duration, the workshop…

  5. "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…

  6. 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…

  7. 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…

  8. 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

    2014-10-01

    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%.

  9. Development of antibacterial conjugates using sulfamethoxazole with monocyclic terpenes: A systematic medicinal chemistry based computational approach.

    Science.gov (United States)

    Swain, Shasank S; Paidesetty, Sudhir K; Padhy, Rabindra N

    2017-03-01

    To develop 6 conjugate agents of the moribund antibiotic sulfamethoxazole (SMZ) joined to 6 individual monoterpenes, followed by protocols of medicinal chemistry as potent antibacterials, against multidrug resistant (MDR) human gruesome pathogenic bacteria. Antibacterial activities of the proposed conjugates were ascertained by the 'prediction of activity spectra of substances' (PASS) program. Drug-likeness parameters and toxicity profiles of conjugates were standardized with the Lipinski rule of five, using cheminformatic tools, Molsoft, molinspiration, OSIRIS and ProTox. Antibacterial activities of individual chemicals and conjugates were examined by targeting the bacterial folic acid biosynthesis enzyme, dihydropteroate synthases (DHPSs) of bacteria, Bacillus anthracis, Escherichia coli, Staphylococcus aureus, Streptococcus pneumoniae and Mycobacterium tuberculosis, with 3D structures of DHPSs from protein data bank. According to the PASS program, biological spectral values of conjugate-2, conjugate-5 and conjugate-6 were ascertained effective with 'probably active' or 'Pa' value > 0.5, for anti-infective and antituberculosic activities. Using molecular docking against 5 cited bacterial DHPSs, effective docking scores of 6 monoterpenes in the specified decreasing order (kcal/mol): -9.72 (eugenol against B. anthracis), -9.61 (eugenol against S. pneumoniae), -9. 42 (safrol, against B. anthracis), -9.39 (thymol, against M. tuberculosis), -9.34 (myristicin, against S. pneumoniae) and -9.29 (thymol, against B. anthracis); whereas the lowest docking score of SMZ was -8.46kcal/mol against S. aureus DHPS. Similarly, effective docking scores of conjugates were as specified (kcal/mol.): -10.80 (conjugate-4 consisting SMZ+safrol, against M. tuberculosis), -10.78 (conjugate-5 consisting SMZ+thymol, against M. tuberculosis), -10.60 (conjugate-5 against B. anthracis), -10.26 (conjugate-2 consisting SMZ+ eugenol, against M. tuberculosis), -10.25 (conjugate-5, against S

  10. 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

  11. 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)

  12. Chemistry Dashboard

    Science.gov (United States)

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

  13. 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

  14. 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....

  15. A review of drug delivery systems based on nanotechnology and green chemistry: green nanomedicine

    OpenAIRE

    Jahangirian, Hossein; Lemraski, Ensieh Ghasemian; Webster, Thomas J; Rafiee-Moghaddam, Roshanak; Abdollahi, Yadollah

    2017-01-01

    Hossein Jahangirian,1 Ensieh Ghasemian Lemraski,2 Thomas J Webster,1 Roshanak Rafiee-Moghaddam,3 Yadollah Abdollahi4 1Department of Chemical Engineering, Northeastern University, Boston, MA, USA; 2Department of Chemistry, Faculty of Science, Ilam University, Ilam, Iran; 3School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, Selangor, 4Department of Electrical Engineering, Faculty of Engineering, University of Malaysia, Kuala Lumpu...

  16. Photochromism of Composite Organometallic Nanostructures Based on Diarylethenes. II. Vibrational Spectroscopy and Quantum Chemistry Studies

    Science.gov (United States)

    Vasilyuk, G. T.; Askirka, V. F.; Lavysh, A. V.; Kurguzenkov, S. A.; Yasinskii, V. M.; Kobeleva, O. I.; Valova, T. M.; Ayt, A. O.; Barachevsky, V. A.; Yarovenko, V. N.; Krayushkin, M. M.; Maskevich, S. A.

    2017-11-01

    The structure and photochromic transformations of nanostructured organometallic composites consisting of Ag nanoparticles with shells of photochromic diarylethenes (DAEs) deposited from various solutions onto the nanoparticles were studied using infrared absorption and surface enhanced Raman scattering (SERS) vibrational spectroscopy and quantum chemistry. The studied nanostructures exhibited photochromic properties manifested as reversible photoinduced changes of the relative intensities of SERS bands related to vibrations of bonds participating in the reversible photoisomerization. Spectral manifestations of chemical interaction between metal nanoparticles and DAE molecules were detected.

  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, 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 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.

  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. 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

    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 students' lives, the importance of chemistry, the difficulty of chemistry, interest in chemistry, and the usefulness of chemistry for their future career. Though the STS approach students had higher attitude post scores, there was no significant difference between the STS and textbook students' attitude post scores. It was noted that females had higher postattitude scores in the STS group, while males had higher postattitude scores in the textbook group. With regard to postachievement, I noted that males had higher scores in both groups. A correlation existed between postattitude and postachievement in the STS classroom. In summary, while an association between attitude and achievement was found in the STS classroom, teaching approach or sex was not found to influence attitudes, while sex was also not found to influence achievement. These results, overall, suggest that attitudes are not expected to change on the basis of either teaching approach or gender, and that techniques other than changing the teaching approach would need to be used in order to improve the attitudes of students. Qualitative analysis of an online discussion activity on Energy revealed that STS students were able to apply aspects of chemistry in decision making related to socioscientific issues. Additional analysis of interview and written responses provided insight regarding attitudes toward chemistry, with respect to topics of applicability of chemistry to life, difficulties with chemistry, teaching approach for chemistry, and the intent for enrolling in additional chemistry courses. In addition, the surveys of female students brought out

  20. 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.

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  2. Unravelling the surface chemistry of metal oxide nanocrystals, the role of acids and bases.

    Science.gov (United States)

    De Roo, Jonathan; Van den Broeck, Freya; De Keukeleere, Katrien; Martins, José C; Van Driessche, Isabel; Hens, Zeger

    2014-07-09

    We synthesized HfO2 nanocrystals from HfCl4 using a surfactant-free solvothermal process in benzyl alcohol and found that the resulting nanocrystals could be transferred to nonpolar media using a mixture of carboxylic acids and amines. Using solution (1)H NMR, FTIR, and elemental analysis, we studied the details of the transfer reaction and the surface chemistry of the resulting sterically stabilized nanocrystals. As-synthesized nanocrystals are charge-stabilized by protons, with chloride acting as the counterion. Treatment with only carboxylic acids does not lead to any binding of ligands to the HfO2 surface. On the other hand, we find that the addition of amines provides the basic environment in which carboxylic acids can dissociate and replace chloride. This results in stable, aggregate-free dispersions of HfO2 nanocrystals, sterically stabilized by carboxylate ligands. Moreover, titrations with deuterated carboxylic acid show that the charge on the carboxylate ligands is balanced by coadsorbed protons. Hence, opposite from the X-type/nonstoichiometric nanocrystals picture prevailing in literature, one should look at HfO2/carboxylate nanocrystals as systems where carboxylic acids are dissociatively adsorbed to bind to the nanocrystals. Similar results were obtained with ZrO2 NCs. Since proton accommodation on the surface is most likely due to the high Brønsted basicity of oxygen, our model could be a more general picture for the surface chemistry of metal oxide nanocrystals with important consequences on the chemistry of ligand exchange reactions.

  3. Steam based conversion coating on AA6060 alloy: Effect of sodium silicate chemistry and corrosion performance

    Science.gov (United States)

    Din, Rameez Ud; Bordo, Kirill; Tabrizian, Naja; Jellesen, Morten Stendahl; Ambat, Rajan

    2017-11-01

    Surface treatment of aluminium alloy AA6060 using an industrially applicable pilot steam jet system with and without silicate chemistry has been investigated. Treatment using steam alone and steam with silicate, resulted in an oxide layer formation with thickness ∼425 nm and ∼160 nm, respectively. Moreover, the use of sodium silicate resulted in the formation of distinct microstructure and incorporation of silicate into the oxide film. These oxide films reduced the anodic activity 4 times, while the corrosion protection by silicate containing oxide was the function of its concentration. Further, in acid salt spray and filiform corrosion tests, oxide layer containing silicate exhibited two times higher corrosion resistance.

  4. Characterization of Phase Chemistry and Partitioning in a Family of High-Strength Nickel-Based Superalloys

    Science.gov (United States)

    Lapington, M. T.; Crudden, D. J.; Reed, R. C.; Moody, M. P.; Bagot, P. A. J.

    2018-03-01

    A family of novel polycrystalline Ni-based superalloys with varying Ti:Nb ratios has been created using computational alloy design techniques, and subsequently characterized using atom probe tomography and electron microscopy. Phase chemistry, elemental partitioning, and γ' character have been analyzed and compared with thermodynamic predictions created using Thermo-Calc. Phase compositions and γ' volume fraction were found to compare favorably with the thermodynamically predicted values, while predicted partitioning behavior for Ti, Nb, Cr, and Co tended to overestimate γ' preference over the γ matrix, often with opposing trends vs Nb concentration.

  5. CLSI-based transference and verification of CALIPER pediatric reference intervals for 29 Ortho VITROS 5600 chemistry assays.

    Science.gov (United States)

    Higgins, Victoria; Truong, Dorothy; Woroch, Amy; Chan, Man Khun; Tahmasebi, Houman; Adeli, Khosrow

    2018-03-01

    Evidence-based reference intervals (RIs) are essential to accurately interpret pediatric laboratory test results. To fill gaps in pediatric RIs, the Canadian Laboratory Initiative on Pediatric Reference Intervals (CALIPER) project developed an age- and sex-specific pediatric RI database based on healthy pediatric subjects. Originally established for Abbott ARCHITECT assays, CALIPER RIs were transferred to assays on Beckman, Roche, Siemens, and Ortho analytical platforms. This study provides transferred reference intervals for 29 biochemical assays for the Ortho VITROS 5600 Chemistry System (Ortho). Based on Clinical Laboratory Standards Institute (CLSI) guidelines, a method comparison analysis was performed by measuring approximately 200 patient serum samples using Abbott and Ortho assays. The equation of the line of best fit was calculated and the appropriateness of the linear model was assessed. This equation was used to transfer RIs from Abbott to Ortho assays. Transferred RIs were verified using 84 healthy pediatric serum samples from the CALIPER cohort. RIs for most chemistry analytes successfully transferred from Abbott to Ortho assays. Calcium and CO 2 did not meet statistical criteria for transference (r 2 CALIPER pediatric RI database to laboratories using Ortho VITROS 5600 biochemical assays. Clinical laboratories should verify CALIPER reference intervals for their specific analytical platform and local population as recommended by CLSI. Copyright © 2018 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

  6. Synthesis and carbonization chemistry of a phosphorous–nitrogen based intumescent flame retardant

    International Nuclear Information System (INIS)

    Ma, Haiyun; Fang, Zhengping

    2012-01-01

    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: ► The IFR synthesized is polymeric and has high molecular weight. ► The IFR has a higher thermal stability than most of the commercial IFRs. ► 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 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 °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 °C). The residues will be further degraded and form final chars during the final weight loss step (400–450 °C). The final chars showed a complex P-O-Ph and aromatic/graphitic structure containing architecture.

  7. Theoretical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

    Work in theoretical chemistry was organized under the following topics: scattering theory and dynamics (elastic scattering of the rare gas hydrides, inelastic scattering in Li + H 2 , statistical theory for bimolecular collisions, model study of dissociative scattering, comparative study of elastic scattering computational methods), studies of atmospheric diatomic and triatomic species, structure and spectra of diatomic molecules, the evaluation of van der Waals forces, potential energy surfaces and structure and dynamics, calculation of molecular polarizabilities, and development of theoretical techniques and computing systems. Spectroscopic parameters are tabulated for NO 2 , N 2 O, H 2 O + , VH, and NH. Self-consistent-field wave functions were computed for He 2 in two-center and three-center bases. Rare gas hydride intermolecular potentials are shown. (9 figures, 14 tables) (U.S.)

  8. Organic chemistry

    International Nuclear Information System (INIS)

    2003-08-01

    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.

  9. Basic principles of electrolyte chemistry for microfluidic electrokinetics. Part I: Acid-base equilibria and pH buffers.

    Science.gov (United States)

    Persat, Alexandre; Chambers, Robert D; Santiago, Juan G

    2009-09-07

    We review fundamental and applied acid-base equilibrium chemistry useful to microfluidic electrokinetics. We present elements of acid-base equilibrium reactions and derive rules for pH calculation for simple buffers. We also present a general formulation to calculate pH of more complex, arbitrary mixtures of electrolytes, and discuss the effects of ionic strength and temperature on pH calculation. More practically, we offer advice on buffer preparation and on buffer reporting. We also discuss "real world" buffers and likely contamination sources. In particular, we discuss the effects of atmospheric carbon dioxide on buffer systems, namely, the increase in ionic strength and acidification of typical electrokinetic device buffers. In Part II of this two-paper series, we discuss the coupling of acid-base equilibria with electrolyte dynamics and electrochemistry in typical microfluidic electrokinetic systems.

  10. A Web-Based Interactive Homework Quiz and Tutorial Package To Motivate Undergraduate Chemistry Students and Improve Learning

    Science.gov (United States)

    Freasier, Ben; Collins, Grant; Newitt, Paula

    2003-11-01

    This study presents a Web-based interactive homework quiz and tutorial package that we have devised to improve the learning of first-year undergraduate chemistry students. We developed this automated scheme, based on WWWAssign, to produce randomly generated quizzes from a large database of questions, instantaneously grade that homework, give a fully-worked solution, and provide individually targeted tutorial assistance. Success in these quizzes was a necessary requirement before taking supervised tests. We found a positive correlation at the p= 0.1 level (90%) between voluntary extra use of the quizzes in the interactive package and the final course grade. All students undertook more quizzes than the base course requirement even though the quiz grades did not contribute to the total course grades. We suggest that students were motivated to pursue additional practice with the quizzes and associated tutorial information, as they perceived some benefit in this student-centered study tool and could access it at any time.

  11. Chemistry Technology

    Data.gov (United States)

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

  12. Technetium chemistry

    International Nuclear Information System (INIS)

    Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S.; Barrera, J.; Hall, K.; Burrell, A.

    1996-01-01

    Technetium chemistry is a young and developing field. Despite the limited knowledge of its chemistry, technetium is the workhorse for nuclear medicine. Technetium is also a significant environmental concern because it is formed as a byproduct of nuclear weapons production and fission-power generators. Development of new technetium radio-pharmaceuticals and effective environmental control depends strongly upon knowledge of basic technetium chemistry. The authors performed research into the basic coordination and organometallic chemistry of technetium and used this knowledge to address nuclear medicine and environmental applications. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL)

  13. Student's Need Analysis for the Development of Chemistry Modules Based Guided Inquiry to Improve Science Process Skill

    Directory of Open Access Journals (Sweden)

    Jane Arantika

    2018-04-01

    Full Text Available Science process skills (SPS are an important aspect of learning science. SPS help students to develop creativity in learning. Process skills such as observing, formulating questions, interpreting, experimenting, hypothesizing, applying concepts, and communicating. This study aims to analyze the need for development resources needs of science filled with science process skills. Requirement analysis of the development of teaching materials with the skill of the process of science needs to be done because the textbook is the reference a teacher in the class. The subjects matter of chemistry the study was three senior high schools in Sambas, West Borneo. Needs analysis conducted using a qualitative approach, in terms of needs in classroom learning and content of process skills on teaching materials. Data were collected by interviews and questionnaires were analyzed descriptively. The results showed that as many as 27 percents of students perceive the book used in learning has not yet trained the science process skills. As many as 73 percents of students perceive that they need instructional materials in the form of inquiry-based chemistry modules to improve science process skills. Modules are developed based guided inquiry for having guided inquiry learning stages that can practice students' science process skills.

  14. 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.

  15. Steam based conversion coating on AA6060 alloy: Effect of sodium silicate chemistry and corrosion performance

    DEFF Research Database (Denmark)

    Din, Rameez Ud; Bordo, Kirill; Tabrizian, Naja

    2017-01-01

    Surface treatment of aluminium alloy AA6060 using an industrially applicable pilot steam jet system with and without silicate chemistry has been investigated. Treatment using steam alone and steam with silicate, resulted in an oxide layer formation with thickness ∼425 nm and ∼160 nm, respectively....... Moreover, the use of sodium silicate resulted in the formation of distinct microstructure and incorporation of silicate into the oxide film. These oxide films reduced the anodic activity 4 times, while the corrosion protection by silicate containing oxide was the function of its concentration. Further......, in acid salt spray and filiform corrosion tests, oxide layer containing silicate exhibited two times higher corrosion resistance....

  16. Preparation of photochromic silk fabrics based on thiol-halogen click chemistry

    Science.gov (United States)

    Fan, Ji; Wang, Wei; Yu, Dan

    2018-02-01

    In this study, we have synthesized a photochromic compound 9‧-(2-bromo-2-methylethoxycarbonyl)-1,3,3-trimethyl-spiro[2H-indole-2,3‧-[3H]naphtha[2,1-b] [1,4]oxazine] and applied it to the silk fabric to acquire photochromic properties. First, tris (2-carboxyethyl) phosphine (TCEP) was used as a reducing agent to produce thiol groups on the surface of silk fabric. Then, these thiol groups will react with -Br groups of the spirooxazine via thiol-halogen click chemistry. The spirooxazine was characterized by FTIR and UV. And the color change properties of the as-prepared silk fabrics were evaluated by the color measurement methods. The results indicated that treated silk fabric has excellent photochromic properties.

  17. 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.

  18. Sol gel chemistry applied to the synthesis of actinide-based compounds for the fabrication of advanced fuels

    International Nuclear Information System (INIS)

    Robisson, A.C.; Lemonnier, S.; Grandjean, S.

    2004-01-01

    The chemistry of the sol-gel process is based on hydroxylation and condensation of molecular precursors and can be used for the elaboration of advanced nuclear fuel or transmutation targets. On the one hand, some fundamental studies are conducted, based on complexation reactions to modulate and control the reactivity of the different cations (Zr(IV) and minor actinides) prior to hydrolysis and condensation step. The purpose of this work is to obtain hetero poly-condensation in order to form homogenous compounds with a controlled microstructure. On the other hand, internal gelation process, one of the important sol-gel routes for the preparation of actinides microspheres (the dedicated design for advanced nuclear fuel or transmutation targets) is developed. Investigations are currently carried out to study the gelation behaviour of solutions containing actinides (III) or (IV) in comparison with the more well known behaviour of U(VI) studied during the development of process for beads production (1960 - 1990). (authors)

  19. Current organic chemistry

    National Research Council Canada - National Science Library

    1997-01-01

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

  20. 1,3,5-Triazine-based analogues of purine: from isosteres to privileged scaffolds in medicinal chemistry.

    Science.gov (United States)

    Lim, Felicia Phei Lin; Dolzhenko, Anton V

    2014-10-06

    Purines can be considered as the most ubiquitous and functional N-heterocyclic compounds in nature. Structural modifications of natural purines, particularly using isosteric ring systems, have been in the focus of many drug discovery programs. Fusion of 1,3,5-triazine ring with pyrrole, pyrazole, imidazole, 1,2,3-triazole or 1,2,4-triazole results in seven bicyclic heterocyclic systems isosteric to purine. Application of the isosterism concept for the development of new compounds with therapeutic potential in areas involving purinergic regulation or purine metabolism led to significant advances in medicinal chemistry of the azolo[1,3,5]triazines. These 1,3,5-triazine-based purine-like scaffolds significantly increase level of molecular diversity and allow covering chemical space in the important areas of medicinal chemistry. Some of these azolo[1,3,5]triazine systems have become privileged scaffolds in the development of inhibitors of various kinases, phosphodiesterase, xanthine oxidase, and thymidine phosphorylase, antagonists of adenosine and corticotropin-releasing hormone receptors, anticancer and antiviral agents. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  1. Wet deposition at the base of Mt Everest: Seasonal evolution of the chemistry and isotopic composition

    Science.gov (United States)

    Balestrini, Raffaella; Delconte, Carlo A.; Sacchi, Elisa; Wilson, Alana M.; Williams, Mark W.; Cristofanelli, Paolo; Putero, Davide

    2016-12-01

    The chemistry of wet deposition was investigated during 2012-2014 at the Pyramid International Laboratory in the Upper Khumbu Valley, Nepal, at 5050 m a.s.l., within the Global Atmosphere Watch (GAW) programme. The main hydro-chemical species and stable isotopes of the water molecule were determined for monsoon rain (July-September) and snow samples (October-June). To evaluate the synoptic-scale variability of air masses reaching the measurement site, 5 day back-trajectories were computed for the sampling period. Ion concentrations in precipitation during the monsoon were low suggesting that they represent global regional background concentrations. The associations between ions suggested that the principal sources of chemical species were marine aerosols, rock and soil dust, and fossil fuel combustion. Most chemical species exhibited a pattern during the monsoon, with maxima at the beginning and at the end of the season, partially correlated with the precipitation amount. Snow samples exhibited significantly higher concentrations of chemical species, compared to the monsoon rainfall observations. Particularly during 2013, elevated concentrations of NO3-, SO42- and NH4+ were measured in the first winter snow event, and in May at the end of the pre-monsoon season. The analysis of large-scale circulation and wind regimes as well as atmospheric composition observations in the region indicates the transport of polluted air masses from the Himalayan foothills and Indian sub-continent up to the Himalaya region. During the summer monsoon onset period, the greater values of pollutants can be attributed to air-mass transport from the planetary boundary layer (PBL) of the Indo-Gangetic plains. Isotopic data confirm that during the monsoon period, precipitation occurred from water vapor that originated from the Indian Ocean and the Bay of Bengal; by contrast during the non-monsoon period, an isotopic signature of more continental origin appeared, indicating that the higher

  2. Pesticides in Drinking Water: Project-Based Learning within the Introductory Chemistry Curriculum

    Science.gov (United States)

    O'Hara, Patricia B.; Sanborn, Jon A.; Howard, Meredith

    1999-12-01

    Public concern has been expressed regarding low-level contamination of public drinking water with "xenoestrogens", which are manmade compounds that act like the growth stimulant, estrogen. A new introductory chemistry module is described, which has as its central theme the measurement of trace levels of these xenoestrogens in the form of pesticides in the Town of Amherst's public drinking water. After a basic introduction to sample handling and measurement of pH, temperature, and conductivity, the students travel in small groups to several sites to collect water and perform preliminary characterization of their samples. In subsequent weeks, they learn to perform various analytical techniques such as solid-phase extraction, GC-MS, ELISA, and absorption spectroscopy to measure the levels of the pesticides DDT, DDD, DDE, methoxychlor, and endosulfan, all of which are potent estrogen mimics. In addition to individual lab reports, students are asked to combine their results and analyze the data set to determine the mean concentration and the statistical significance. Finally, they use molecular modeling to explore the three-dimensional structure of three pesticide families and compare these structures to the steroid hormones whose actions they are purported to mimic.

  3. 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.

  4. Versatile Organic Chemistry on Vanadium-Based Multi-Electron Reservoirs.

    Science.gov (United States)

    Nachtigall, Olaf; Spandl, Johann

    2018-02-21

    We report the synthesis, post-functionalization, and redox behavior of two organically functionalized aggregates, [V 6 O 7 (OMe) 9 {(OCH 2 ) 3 C-CH 2 N 3 }] and [V 6 O 7 (OMe) 9 {(OCH 2 ) 3 C-NH 2 }]. All twelve μ 2 -oxo groups on the edges of the Lindqvist-type {V 6 O 19 } core were replaced by alkoxo ligands. The absence of a negative charge and the closed organic shell make these neutral mixed-valence compounds very stable towards hydrolysis and well soluble in almost all common organic solvents. These are important advantages over classical POMs. By post-functionalization through copper(I)-catalyzed Huisgen cycloaddition or imine formation, various organic moieties could be introduced. Even a well-soluble trimer composed of three hexanuclear vanadium units connected through an aromatic triimino core was synthesized and studied. The diverse redox behavior, the versatile reactivity, the good stability, and the excellent solubility make our vanadium compounds highly interesting for applications as building blocks in macromolecular chemistry as well as redox labels in biochemistry. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    International Nuclear Information System (INIS)

    Dang, Xueping; Wang, Yingkai; Hu, Chengguo; Huang, Jianlin; Chen, Huaixia; Wang, Shengfu; Hu, Shengshui

    2014-01-01

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

  6. Quantum chemistry investigation of secondary reaction kinetics in acrylate-based copolymers.

    Science.gov (United States)

    Cuccato, Danilo; Mavroudakis, Evangelos; Moscatelli, Davide

    2013-05-30

    Recently, a growing amount of attention has been focused on the influence of secondary reactions on the free radical polymerization features and the properties and microstructure of the final polymer, particularly in the context of acrylate copolymers. One of the most challenging aspects of this research is the accurate determination of the corresponding reaction kinetics. In this paper, this problem is addressed using quantum chemistry. The reaction rate coefficients of various backbiting, propagation, and β-scission steps are estimated considering different chain configurations of a terpolymer system composed of methyl acrylate, styrene, and methyl methacrylate. The replacement of methyl acrylate radical units with styrene and methyl methacrylate globally decreases the backbiting probability and shifts the equilibrium toward the reactants, while the effect of replacing adjacent units is weaker and more dependent upon the specific substituting monomer. Propagation kinetics is affected primarily by the replacement of the radical units, while this effect appears to be particularly effective on midchain radical reactivity. The overall results clarify the different physicochemical behavior of chain-end, midchain, and short-branch radicals as a function of copolymer composition, providing new insights into free radical polymerization kinetics.

  7. 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.

  8. Surface chemistry of carbon removal from indium tin oxide by base and plasma treatment, with implications on hydroxyl termination

    International Nuclear Information System (INIS)

    Chaney, John A.; Koh, Sharon E.; Dulcey, Charles S.; Pehrsson, Pehr E.

    2003-01-01

    The surface chemistry of carbon removal from indium tin oxide (ITO) has been investigated with Auger electron spectroscopy (AES), high-resolution electron energy loss spectroscopy (HREELS), and high-resolution energy loss spectroscopy (HR-ELS). A vibrating Kelvin probe (KP) was used to monitor the work function (PHI) of ITO after cleaning, either by base-cleaning with alcoholic-KOH or by O 2 plasma-cleaning. Base-cleaning lowered PHI ITO as seen in the KP analysis, whereas plasma-cleaning slightly increased PHI ITO by an oxidative process. The degree of PHI ITO depression by base-cleaning was seen to depend on the initial surface, but the PHI depression itself was nonreductive to the ITO, as seen in the In-MNN AES lineshape. The nonreductive depression of PHI ITO by base-cleaning was further supported by a constant charge carrier density, as estimated from the HR-ELS. Base-cleaning was slightly more effective than the oxygen plasma in removing carbon from the ITO surface. However, base-cleaning preferentially removed graphitic carbon while leaving significant hydrocarbon contaminants, as determined by vibrational analysis with HREELS. All other ITO surfaces retained a significant carbon and hydrocarbon contamination as evidenced by AES and HREELS. There was little evidence of the formation of surface hydroxyl species, as expected for such an inherently contaminated surface as ITO

  9. Adsorption of amino acids and nucleic acid bases onto minerals: a few suggestions for prebiotic chemistry experiments

    Science.gov (United States)

    Zaia, Dimas A. M.

    2012-10-01

    Amino acids and nucleic acid bases are very important for the living organisms. Thus, their protection from decomposition, selection, pre-concentration and formation of biopolymers are important issues for understanding the origin of life on the Earth. Minerals could have played all of these roles. This paper discusses several aspects involving the adsorption of amino acids and nucleic acid bases onto minerals under conditions that could have been found on the prebiotic Earth; in particular, we recommend the use of minerals, amino acids, nucleic acid bases and seawater ions in prebiotic chemistry experiments. Several experiments involving amino acids, nucleic acid bases, minerals and seawater ions are also suggested, including: (a) using well-characterized minerals and the standardization of the mineral synthesis methods; (b) using primary chondrite minerals (olivine, pyroxene, etc.) and clays modified with metals (Cu, Fe, Ni, Mo, Zn, etc.); (c) determination of the possible products of decomposition due to interactions of amino acids and nucleic acid bases with minerals; (d) using minerals with more organophilic characteristics; (e) using seawaters with different concentrations of ions (i.e. Na+, Ca2+, Mg2+, SO4 2- and Cl-) (f) using non-protein amino acids (AIB, α-ABA, β-ABA, γ-ABA and β-Ala and g) using nucleic acid bases other than adenine, thymine, uracil and cytosine. These experiments could be useful to clarify the role played by minerals in the origin of life on the Earth.

  10. Acidic deposition: State of science and technology. Report 14. Methods for projecting future changes in surface water acid-base chemistry. Final report

    International Nuclear Information System (INIS)

    Thornton, K.W.; Marmorek, D.; Ryan, P.F.; Heltcher, K.; Robinson, D.

    1990-09-01

    The objectives of the report are to: critically evaluate methods for projecting future effects of acidic deposition on surface water acid-base chemistry; review and evaluate techniques and procedures for analyzing projection uncertainty; review procedures for estimating regional lake and stream population attributes; review the U.S. Environmental Protection Agency (EPA) Direct/Delayed Response Project (DDRP) methodology for projecting the effects of acidic deposition on future changes in surface water acid-base chemistry; and present the models, uncertainty estimators, population estimators, and proposed approach selected to project the effects of acidic deposition on future changes in surface water acid-base chemistry in the NAPAP 1990 Integrated Assessment and discuss the selection rationale

  11. A Case-Based Scenario with Interdisciplinary Guided-Inquiry in Chemistry and Biology: Experiences of First Year Forensic Science Students

    Science.gov (United States)

    Cresswell, Sarah L.; Loughlin, Wendy A.

    2017-01-01

    In this paper, insight into forensic science students' experiences of a case-based scenario with an interdisciplinary guided-inquiry experience in chemistry and biology is presented. Evaluation of student experiences and interest showed that the students were engaged with all aspects of the case-based scenario, including the curriculum theory…

  12. 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…

  13. 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…

  14. 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,

  15. Surface chemistry, microstructure and friction properties of some ferrous-base metallic glasses at temperatures to 750 C

    Science.gov (United States)

    Miyoshi, K.; Buckley, D. H.

    1982-01-01

    X-ray photoelectron spectroscopy analysis, transmission electron microscopy, diffraction studies, and sliding friction experiments were conducted with ferrous-base metallic glasses in sliding contact with aluminum oxide at temperatures from room to 750 C in a vacuum of 30 nPa. The results indicate that there is a significant temperature influence on the friction properties, surface chemistry, and microstructure of metallic glasses. The relative concentrations of the various constituents at the surface of the sputtered specimens were very different from the normal bulk compositions. Contaminants can come from the bulk of the material to the surface upon heating and impart boric oxide and silicon oxide at 350 C and boron nitride above 500 C. The coefficient of friction increased with increasing temperature to 350 C. Above 500 C the coefficient of friction decreased rapidly. The segregation of contaminants may be responsible for the friction behavior.

  16. 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)

  17. A consistent molecular hydrogen isotope chemistry scheme based on an independent bond approximation

    Directory of Open Access Journals (Sweden)

    M. C. Krol

    2009-11-01

    Full Text Available The isotopic composition of molecular hydrogen (H2 produced by photochemical oxidation of methane (CH4 and Volatile Organic Compounds (VOCs is a key quantity in the global isotope budget of (H2. The many individual reaction steps involved complicate its investigation. Here we present a simplified structure-activity approach to assign isotope effects to the individual elementary reaction steps in the oxidation sequence of CH4 and some other VOCs. The approach builds on and extends the work by Gerst and Quay (2001 and Feilberg et al. (2007b. The description is generalized and allows the application, in principle, also to other compounds. The idea is that the C-H and C-D bonds – seen as reactive sites – have similar relative reaction probabilities in isotopically substituted, but otherwise identical molecules. The limitations of this approach are discussed for the reaction CH4+Cl. The same approach is applied to VOCs, which are important precursors of H2 that need to be included into models. Unfortunately, quantitative information on VOC isotope effects and source isotope signatures is very limited and the isotope scheme at this time is limited to a strongly parameterized statistical approach, which neglects kinetic isotope effects. Using these concepts we implement a full hydrogen isotope scheme in a chemical box model and carry out a sensitivity study to identify those reaction steps and conditions that are most critical for the isotope composition of the final H2 product. The reaction scheme is directly applicable in global chemistry models, which can thus include the isotope pathway of H2 produced from CH4 and VOCs in a consistent way.

  18. Chemistry and nuclear technology

    International Nuclear Information System (INIS)

    De Wet, W.J.

    1977-01-01

    The underlying principles of nuclear sciece and technology as based on the two basic phenomena, namely, radioactivity and nuclear reactions, with their relatively large associated energy changes, are outlined. The most important contributions by chemists in the overall historical development are mentioned and the strong position chemistry has attained in these fields is indicated. It is concluded that chemistry as well as many other scientific discplines (apart from general benefits) have largely benefitted from these nuclear developments [af

  19. Quantitative analysis chemistry

    International Nuclear Information System (INIS)

    Ko, Wansuk; Lee, Choongyoung; Jun, Kwangsik; Hwang, Taeksung

    1995-02-01

    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.

  20. Chemistry of Technetium

    International Nuclear Information System (INIS)

    Omori, Takashi

    2001-01-01

    Since the late 1970's the coordination chemistry of technetium has been developed remarkably. The background of the development is obviously related to the use of technetium radiopharmaceuticals for diagnosis in nuclear medicine. Much attention has also been denoted to the chemical behavior of environmental 99 Tc released from reprocessing plants. This review covers the several aspects of technetium chemistry, including production of radioisotopes, analytical chemistry and coordination chemistry. In the analytical chemistry, separation of technetium, emphasizing chromatography and solvent extraction, is described together with spectrophotometric determination of technetium. In the coordination chemistry of technetium, a characteristic feature of the chemistry of Tc(V) complexes is referred from the view point of the formation of a wide variety of highly stable complexes containing the Tc=O or Tc≡N bond. Kinetic studies of the preparation of Tc(III) complexes using hexakis (thiourea) technetium(III) ion as a starting material are summarized, together with the base hydrolysis reactions of Tc(III), Tc(IV) and Tc(V) complexes. (author)

  1. Constructivist-Based Asynchronous Tutorial to Improve Transfer between Math and Chemistry Domains: Design, Implementation, and Analysis of the Impact of ReMATCH on General Chemistry Course Performance and Confidence

    Science.gov (United States)

    Barker, M. Danielle

    2011-07-01

    The two-year implementation of ReMATCH, a web-based math and problem-solving tutorial, in a traditionally arranged general chemistry classroom at the University of Kansas examined the impact of a designed intervention to assist students with the transfer of their mathematical knowledge to a chemistry context where it could be readily used for quantitative problem solving. The ReMATCH intervention, designed on constructivist-based pedagogies, focused on illuminating the expert-processes of problem solving and transferring knowledge across domains to the novice chemistry. The two implementations of ReMATCH -- once as lab assignments and once lecture assignments -- resulted in very different student responses to the intervention. However, within both, the beneficial effects of sustained ReMATCH-use were visible. In 2006, students who attempted all of the ReMATCH homework assignments were predicted to earn ˜5% higher on their total exam points. The 2007 implementation of ReMATCH demonstrated that students who attempted all of the homework problems and visited at least half of the ReMATCH tutorial pages were predicted to earn ˜8.5% higher on their total exam points. Additionally, use of ReMATCH in 2006 also resulted in increased confidence (as measured by comfort-level) with some of the math-related chemistry topics covered in ReMATCH. In 2007, when only students who attempted all of the ReMATCH problems were considered, it became clear that individuals who were initially less confident in their math-related chemistry skills were more likely to view more of the ReMATCH tutorial pages. When students with lower initial comfort-levels on these topics viewed at least half of the ReMATCH tutorial pages, they were able to compensate for their initially lower levels of confidence and were equally comfortable with most of the math-related chemistry topics by the final survey. Student interactions with and perceptions of ReMATCH showed that student attitudes towards Re

  2. Radiation chemistry of the base components of DNA and related substances

    International Nuclear Information System (INIS)

    Teoule, R.

    1979-01-01

    The loss of UV absorption may be considered as a useful index to evaluate the extent of base destruction. The variations observed reflect the sum of different phenomena: the modification of base stacking, hydrogen bond rupture between DNA bases and the saturation of conjugated double bonds of heterocycles. Another way to measure the base degradation is by formic acid hydrolysis. Radiation products are very sensitive to the formic acid hydrolysis performed at 180 deg C. In aerated solutions, an important event responsible for the degradation of pyrimidine bases is the formation of hydroperoxide. This review consists of the following subheadings: identification of the DNA base damages; thymine fragment in aerated solutions and in deaerated solutions; adenine fragment; and cytosine fragment. The review concludes with the remarks: one has to be very cautious in the extrapolation of the results obtained by the gamma irradiation of free bases in solution to DNA. Free bases are liberated but no nucleoside during irradiation. (Yamashita, S.)

  3. 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…

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

    Directory of Open Access Journals (Sweden)

    Taghi Rajabi

    2017-09-01

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

  5. Supramolecular Chemistry

    Indian Academy of Sciences (India)

    antigen interactions. working in different areas such as chemical science, biological science, physical science, material science and so on. On the whole, supramolecular chemistry focuses on two over- lapping areas, 'supramolecules' and ...

  6. 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.

  7. Analytical chemistry

    Czech Academy of Sciences Publication Activity Database

    Křivánková, Ludmila

    -, č. 22 (2011), s. 718-719 ISSN 1472-3395 Institutional research plan: CEZ:AV0Z40310501 Keywords : analytical chemistry * analytical methods * nanotechnologies Subject RIV: CB - Analytical Chemistry, Separation http://edition.pagesuite-professional.co.uk/launch.aspx?referral=other&pnum=&refresh=M0j83N1cQa91&EID=82bccec1-b05f-46f9-b085-701afc238b42&skip=

  8. Migration chemistry

    International Nuclear Information System (INIS)

    Carlsen, L.

    1992-05-01

    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 K D 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.)

  9. Biomimetic surface modification of polypropylene by surface chain transfer reaction based on mussel-inspired adhesion technology and thiol chemistry

    International Nuclear Information System (INIS)

    Niu, Zhijun; Zhao, Yang; Sun, Wei; Shi, Suqing; Gong, Yongkuan

    2016-01-01

    Highlights: • Biomimetic surface modification of PP was successfully conducted by integrating mussel-inspired technology, thiol chemistry and cell outer membranes-like structures. • The resultant biomimetic surface exhibits good interface and surface stability. • The obvious suppression of protein adsorption and platelet adhesion is also achieved. • The residue thoil groups on the surface could be further functionalized. - Abstract: Biomimetic surface modification of polypropylene (PP) is conducted by surface chain transfer reaction based on the mussel-inspired versatile adhesion technology and thiol chemistry, using 2-methacryloyloxyethylphosphorylcholine (MPC) as a hydrophilic monomer mimicking the cell outer membrane structure and 2,2-azobisisobutyronitrile (AIBN) as initiator in ethanol. A layer of polydopamine (PDA) is firstly deposited onto PP surface, which not only offers good interfacial adhesion with PP, but also supplies secondary reaction sites (-NH 2 ) to covalently anchor thiol groups onto PP surface. Then the radical chain transfer to surface-bonded thiol groups and surface re-initiated polymerization of MPC lead to the formation of a thin layer of polymer brush (PMPC) with cell outer membrane mimetic structure on PP surface. X-ray photoelectron spectrophotometer (XPS), atomic force microscopy (AFM) and water contact angle measurements are used to characterize the PP surfaces before and after modification. The protein adsorption and platelet adhesion experiments are also employed to evaluate the interactions of PP surface with biomolecules. The results show that PMPC is successfully grafted onto PP surface. In comparison with bare PP, the resultant PP-PMPC surface exhibits greatly improved protein and platelet resistance performance, which is the contribution of both increased surface hydrophilicity and zwitterionic structure. More importantly, the residue thiol groups on PP-PMPC surface create a new pathway to further functionalize such

  10. Biomimetic surface modification of polypropylene by surface chain transfer reaction based on mussel-inspired adhesion technology and thiol chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Niu, Zhijun; Zhao, Yang; Sun, Wei; Shi, Suqing, E-mail: shisq@nwu.edu.cn; Gong, Yongkuan

    2016-11-15

    Highlights: • Biomimetic surface modification of PP was successfully conducted by integrating mussel-inspired technology, thiol chemistry and cell outer membranes-like structures. • The resultant biomimetic surface exhibits good interface and surface stability. • The obvious suppression of protein adsorption and platelet adhesion is also achieved. • The residue thoil groups on the surface could be further functionalized. - Abstract: Biomimetic surface modification of polypropylene (PP) is conducted by surface chain transfer reaction based on the mussel-inspired versatile adhesion technology and thiol chemistry, using 2-methacryloyloxyethylphosphorylcholine (MPC) as a hydrophilic monomer mimicking the cell outer membrane structure and 2,2-azobisisobutyronitrile (AIBN) as initiator in ethanol. A layer of polydopamine (PDA) is firstly deposited onto PP surface, which not only offers good interfacial adhesion with PP, but also supplies secondary reaction sites (-NH{sub 2}) to covalently anchor thiol groups onto PP surface. Then the radical chain transfer to surface-bonded thiol groups and surface re-initiated polymerization of MPC lead to the formation of a thin layer of polymer brush (PMPC) with cell outer membrane mimetic structure on PP surface. X-ray photoelectron spectrophotometer (XPS), atomic force microscopy (AFM) and water contact angle measurements are used to characterize the PP surfaces before and after modification. The protein adsorption and platelet adhesion experiments are also employed to evaluate the interactions of PP surface with biomolecules. The results show that PMPC is successfully grafted onto PP surface. In comparison with bare PP, the resultant PP-PMPC surface exhibits greatly improved protein and platelet resistance performance, which is the contribution of both increased surface hydrophilicity and zwitterionic structure. More importantly, the residue thiol groups on PP-PMPC surface create a new pathway to further functionalize such

  11. Nanoengineering of Ruthenium and Platinum-based Nanocatalysts by Continuous-Flow Chemistry for Renewable Energy Applications

    KAUST Repository

    AlYami, Noktan Mohammed

    2017-04-15

    This thesis presents an integrated study of nanocatalysts for heterogenous catalytic and electrochemical processes using pure ruthenium (Ru) with mixed-phase and platinum-based nanomaterials synthesized by continuous-flow chemistry. There are three major challenges to the application of nanomaterials in heterogenous catalytic reactions and electrocatalytic processes in acidic solution. These challenges are the following: (i) controlling the size, shape and crystallography of nanoparticles to give the best catalytic properties, (ii) scaling these nanoparticles up to a commercial quantity (kg per day) and (iii) making stable nanoparticles that can be used catalytically without degrading in acidic electrolytes. Some crucial limitations of these nanostructured materials in energy conversion and storage applications were overcome by continuous-flow chemistry. By using a continuous-flow reactor, the creation of scalable nanoparticle systems was achieved and their functionality was modified to control the nanoparticles’ physical and chemical characteristics. The nanoparticles were also tested for long-term stability, to make sure these nanoparticles were feasible under realistic working conditions. These nanoparticles are (1) shape- and crystallography-controlled ruthenium (Ru) nanoparticles, (2) size-controlled platinum-metal (Pt-M= nickel (Ni) & copper (Cu)) nanooctahedra (while maintaining morphology) and (3) core-shell platinum@ruthenium (Pt@Ru) nanoparticles where an ultrathin ruthenium shell was templated onto the platinum core. Thus, a complete experimental validation of the formation of a scalable amount of these nanoparticles and their catalytic activity and stability towards the oxygen evolution reaction (OER) in acid medium, hydrolysis of ammonia borane (AB) along with plausible explanations were provided.

  12. A Solvent-Free Base Liberation of a Tertiary Aminoalkyl Halide by Flow Chemistry

    DEFF Research Database (Denmark)

    Pedersen, Michael Jønch; Skovby, Tommy; Mealy, Michael J.

    2016-01-01

    A flow setup for base liberation of 3-(N,N-dimethylamino)propyl chloride hydrochloride and solvent-free separation of the resulting free base has been developed. Production in flow profits from an on-demand approach, useful for labile aminoalkyl halides. The requirement for obtaining a dry product...

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

    International Nuclear Information System (INIS)

    2010-12-01

    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. [nl

  14. 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

    2013-01-01

    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

  15. Surface chemistry and acid-base activity of Shewanella putrefaciens: Cell wall charging and metal binding to bacterial cell walls

    NARCIS (Netherlands)

    Claessens, Jacqueline Wilhelmien

    2006-01-01

    To gain insight into the surface chemistry of live microorganisms, pH stat experiments are combined with analyses of the time-dependent changes in solution chemistry using suspensions of live cells of Shewanella putrefaciens. The results of this study illustrate the complex response of the live

  16. Surface chemistry and acid-base activity of Shewanella putrefaciens : Cell wall charging and metal binding to bacterial cell walls

    NARCIS (Netherlands)

    Claessens, J.W.

    2006-01-01

    To gain insight into the surface chemistry of live microorganisms, pH stat experiments are combined with analyses of the time-dependent changes in solution chemistry using suspensions of live cells of Shewanella putrefaciens. The results of this study illustrate the complex response of the live

  17. Self-Directed Learning and Skills of Problem-Based Learning: A Case of Nigerian Secondary Schools Chemistry Students

    Science.gov (United States)

    Abubakar, Abbas Babayi; Arshad, Mohammad Yusof

    2015-01-01

    The role of chemistry in the development of any society cannot be overemphasized. Chemistry students are therefore expected to acquire flexible knowledge and problem solving skills to facilitate the expected development of our modern society. The purpose of this article is to investigate the roles of teachers and student in the development of…

  18. Nanoparticle Synthesis, Characterization, and Ecotoxicity: A Research-Based Set of Laboratory Experiments for a General Chemistry Course

    Science.gov (United States)

    Amaris, Zoe N.; Freitas, Daniel N.; Mac, Karen; Gerner, Kyle T.; Nameth, Catherine; Wheeler, Korin E.

    2017-01-01

    A series of laboratory experiments were developed to introduce first-year chemistry students to nanoscience through a green chemistry approach. Students made and characterized the stability of silver nanoparticles using two different methods: UV-visible spectroscopy and dynamic light scattering. They then assessed the ecotoxicity of silver…

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

    NARCIS (Netherlands)

    Coenders, Ferdinand G.M.

    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

  20. Pedagogy-Based-Technology and Chemistry Students' Performance in Higher Institutions: A Case of Debre Berhan University

    Science.gov (United States)

    Demissie, Tesfaye; Ochonogor, Chukunoye E.; Engida, Temechegn

    2011-01-01

    Many students have difficulty in learning abstract and complex lessons of chemistry. This study investigated how students develop their understandings of abstract and complex lessons in chemistry with the aid of visualizing tools: animation, simulation and video that allow them to build clear concepts. Animation, simulation and video enable…

  1. 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.

  2. 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…

  3. 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 synthetic scheme of four reactions was developed for and implemented in the first semester organic lab. Students carried out the synthetic reactions during the last 6 of 10 total labs in the course, generating carbohydrate-based dimeric target molecules modeled after published dimers with application in HIV therapy. The project was designed to provide a research experience through use of literature procedures for reactions performed, exploration of variation in linker length in the target structure, and synthesis of compounds not previously reported in the scientific literature. Project assessment revealed strong student support, indicating enhanced engagement and interest in the course as a direct result of the use of scientific literature and the applications of the synthesized carbohydrate-based molecules. Regardless of discussed challenges in designing a research project for the first semester lab course, the finding from data analysis that a project implemented in the first semester lab had significantly greater student impact than a second semester project should provide motivation for development of additional research projects for a first semester organic course. © 2015 The International Union of Biochemistry and Molecular Biology.

  4. 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.

  5. 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.

  6. New Highly-Sensitive Methods for Electroanalytical Chemistry Based on Nanotubule Membranes

    National Research Council Canada - National Science Library

    Kobayashi, Yoshio

    1999-01-01

    Two new methods of electroanalysis are described. These methods are based on membranes containing monodisperse Au nanotubules with inside diameters approaching molecular dimensions (approx. 1 to approx. 3 nm...

  7. 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.

  8. Solar cosmic ray effects in atmospheric chemistry evidenced from ground- based measurements

    Science.gov (United States)

    Shumilov, O.; Kasatkina, E.; Turyansky, V.

    Solar protons with a relatively soft energy spectrum (E450 MeV) of Ground Level Event (GLE) type can penetrate below 30 km and cause neutron flow enhancement detected by ground-based neutron monitors. Atmospheric effects of such high-energy particles seem to be more pronounced and appeared variations of total content of some atmospheric parameters that can be detected by ground-based devices. It was shown earlier that some GLEs cause considerable ozone total content decreases (up to 25%), or so-called ozone "miniholes" at high latitudes. This work presents ground-based measurements of nitrogen dioxide (NO2) total content made at Murmansk, Kola Peninsula (corrected geomagnetic latitude: 64.8) during and after GLE of 2 May 1998. Nitrogen dioxide was measured by zenith viewing spectrophotometer in wavelength region between 435-450 nm. An increase (about of 20%) in total column of NO2 has been recorded after 2 May 1998 GLE by this facility. Model calculations based on gas phase photochemical theory quantitatively agree with observations. In addition to satellite measurements the information obtained by ground-based devices will be helpful to study atmospheric effects of cosmic ray events. This work was supported by the RFBR grants 01-05-64850 and 01-05-26226).

  9. 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

  10. The Effect of Learning Cycle Constructivist-Based Approach on Students' Academic Achievement and Attitude towards Chemistry in Secondary Schools in North-Eastern Part of Nigeria

    Science.gov (United States)

    Jack, Gladys Uzezi

    2017-01-01

    This study investigated the effect of learning cycle constructivist-based approach on secondary schools students' academic achievement and their attitude towards chemistry. The design used was a pre-test, post-test non randomized control group quasi experimental research design. The design consisted of two instructional groups (learning cycle…

  11. 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.…

  12. Click chemistry based biomolecular conjugation monitoring using surface-enhanced Raman spectroscopy mapping

    DEFF Research Database (Denmark)

    Palla, Mirko; Kumar, Shiv; Li, Zengmin

    2016-01-01

    We describe here a novel surface-enhanced Raman spectroscopy (SERS) based technique for monitoring the conjugation of small molecules by the well-known click reaction between an alkyne and azido moiety on the partner molecules. The monitoring principle is based on the loss of the characteristic...... such as bioconjugation, material science or drug discovery. Additionally, as an attractive advantage of this technique, no significant background signal is expected during the measurements, since these signals reside in a Raman silent region of 2000–2300 cm−1, where virtually all biological molecules are transparent....

  13. Communicating Chemistry: A Framework for Sharing Science: A Practical Evidence-Based Guide

    Science.gov (United States)

    National Academies Press, 2016

    2016-01-01

    A growing body of evidence indicates that, increasingly, the public is engaging with science in a wide range of informal environments, which can be any setting outside of school such as community-based programs, festivals, libraries, or home. Yet undergraduate and graduate schools often don't prepare scientists for public communication. This…

  14. Classroom Action Research on Formative Assessment in a Context-Based Chemistry Course

    Science.gov (United States)

    Vogelzang, Johannes; Admiraal, Wilfried F.

    2017-01-01

    Context-based science courses stimulate students to reconstruct the information presented by connecting to their prior knowledge and experiences. However, students need support. Formative assessments inform both teacher and students about students' knowledge deficiencies and misconceptions and how students can be supported. Research on formative…

  15. Diatom-based models for inferring water chemistry and hydrology in temporary depressional wetlands

    CSIR Research Space (South Africa)

    Riato, L

    2017-08-01

    Full Text Available of anthropogenic impacts based on changes of indicator taxa assemblag(supe)s. Our study provides a basis for newly developed quantitative tools to be used in biomonitoring studies and evaluations of reference conditions for temporary wetland management....

  16. Efficient and Selective Chemical Labeling of Electrochemically Generated Peptides Based on Spirolactone Chemistry

    NARCIS (Netherlands)

    Zhang, Tao; Niu, Xiaoyu; Yuan, Tao; Tessari, Marco; de Vries, Marcel P.; Permentier, Hjalmar P.; Bischoff, Rainer

    2016-01-01

    Specific digestion of proteins is an essential step for mass spectrometry-based proteomics, and the chemical labeling of the resulting peptides is often used for peptide enrichment or the introduction of desirable tags. Cleavage of the peptide bond following electrochemical oxidation of Tyr or Trp

  17. 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.

  18. Learner-Friendly Textbooks: Chemistry Texts Based on a Constructivist View of Learning

    Science.gov (United States)

    Tasdelen, Ugur; Koseoglu, Fitnat

    2008-01-01

    In this study, the use of inquiry methods, learning cycles, a conceptual change model and analogy in creating alternative science texts was discussed. An alternative text on the topic of acids and bases was created by integrating the methods and models discussed in this paper. The alternative text and a sample of a traditional text taken from a…

  19. Acid-Base Chemistry According to Robert Boyle: Chemical Reactions in Words as well as Symbols

    Science.gov (United States)

    Goodney, David E.

    2006-01-01

    Examples of acid-base reactions from Robert Boyle's "The Sceptical Chemist" are used to illustrate the rich information content of chemical equations. Boyle required lengthy passages of florid language to describe the same reaction that can be done quite simply with a chemical equation. Reading or hearing the words, however, enriches the student's…

  20. Acid-base chemistry of white wine: analytical characterisation and chemical modelling.

    Science.gov (United States)

    Prenesti, Enrico; Berto, Silvia; Toso, Simona; Daniele, Pier Giuseppe

    2012-01-01

    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.

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

    Science.gov (United States)

    Prenesti, Enrico; Berto, Silvia; Toso, Simona; Daniele, Pier Giuseppe

    2012-01-01

    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. PMID:22566762

  2. Maternal and Fetal Acid-Base Chemistry: A Major Determinant of ...

    African Journals Online (AJOL)

    Very small changes in pH may significantly affect the function of various fetal organ systems, such as the central nervous system, and the cardiovascular system with associated fetal distress and poor Apgar score. Review of existing data on maternal-fetal acid-base balance in pregnancy highlight the factors that are ...

  3. Deer antler base as a traditional Chinese medicine: a review of its traditional uses, chemistry and pharmacology.

    Science.gov (United States)

    Wu, Feifei; Li, Huaqiang; Jin, Liji; Li, Xiaoyu; Ma, Yongsheng; You, Jiansong; Li, Shuying; Xu, Yongping

    2013-01-30

    Deer antler base (Cervus, Lu Jiao Pan) has been recorded in the Chinese medical classics Shen Nong Ben Cao Jing 2000 years ago and is believed to nourish the Yin, tonify the kidney, invigorate the spleen, strengthen bones and muscles, and promote blood flow. In China, deer antler base has been extensively used in traditional Chinese medicine (TCM) to treat a variety of diseases including mammary hyperplasia, mastitis, uterine fibroids, malignant sores and children's mumps. We provide an up-to-date and comprehensive overview of the traditional uses, chemistry, pharmacology, toxicology and clinical trials of deer antler base in order to explore its therapeutic potentials and future research needs. The pharmacological value of deer antler base was ignored for many years while researchers concentrated on the pharmacological value of velvet antler. However, more recently, scientists have carried out a great number of chemical, pharmacological and clinical studies on deer antler base. The present review covers the literature available from 1980 to 2012. All relevant information on deer antler base was collected from ancient Chinese herbal classics, pharmacopoeias, formularies, scientific journals, books, theses and reports via a library and electronic search by using PubMed, Google Scholar, Web of Science, Science Direct, and CNKI (in Chinese). Both in vitro and in vivo pharmacological studies have demonstrated that deer antler base possess immunomodulatory, anti-cancer, anti-fatigue, anti-osteoporosis, anti-inflammatory, analgesic, anti-bacterial, anti-viral, anti-stress, anti-oxidant, hypoglycemic, hematopoietic modulatory activities and the therapeutic effect on mammary hyperplasia. Although the mechanism of actions is still not clear, the pharmacological activities could be mainly attributed to the major bioactive compounds amino acids, polypeptides and proteins. Based on animal studies and clinical trials, deer antler base causes no severe side effects. Deer antler

  4. Circumstellar chemistry

    International Nuclear Information System (INIS)

    Glassgold, A.E.

    1989-01-01

    Circumstellar chemistry has a special role in astrochemistry because the astrophysical conditions in the circumstellar envelopes of red giants are frequently well known and clear tests of chemical models are feasible. Recent advances in astronomical observations now offer opportunities to test relevant theories of molecule formation, especially in carbon-rich environments. Many new molecules have recently been discovered using radio and infrared techniques and high spatial resolution maps obtained with large telescopes and interferometers indicate where complex molecules are being formed in these envelopes. A large body of observational data can be understood in terms of the photochemical model, which embraces relevant elements of equilibrium chemistry, photodissociation, and ion-molecule chemistry of the photo-products. A critical review of the photochemical model will be presented together with new results on the synthesis of hydrocarbon molecules and silicon and sulfur compounds

  5. Deconvoluting the effects of surface chemistry and nanoscale topography: Pseudomonas aeruginosa biofilm nucleation on Si-based substrates.

    Science.gov (United States)

    Zhang, Jing; Huang, Jinglin; Say, Carmen; Dorit, Robert L; Queeney, K T

    2018-06-01

    The nucleation of biofilms is known to be affected by both the chemistry and topography of the underlying substrate, particularly when topography includes nanoscale (topography vs. chemistry is complicated by concomitant variation in both as a result of typical surface modification techniques. Analyzing the behavior of biofilm-forming bacteria exposed to surfaces with systematic, independent variation of both topography and surface chemistry should allow differentiation of the two effects. Silicon surfaces with reproducible nanotopography were created by anisotropic etching in deoxygenated water. Surface chemistry was varied independently to create hydrophilic (OH-terminated) and hydrophobic (alkyl-terminated) surfaces. The attachment and proliferation of Psuedomonas aeruginosa to these surfaces was characterized over a period of 12 h using fluorescence and confocal microscopy. The number of attached bacteria as well as the structural characteristics of the nucleating biofilm were influenced by both surface nanotopography and surface chemistry. In general terms, the presence of both nanoscale features and hydrophobic surface chemistry enhance bacterial attachment and colonization. However, the structural details of the resulting biofilms suggest that surface chemistry and topography interact differently on each of the four surface types we studied. Copyright © 2018 Elsevier Inc. All rights reserved.

  6. 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.

  7. 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

    2015-09-02

    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. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Chemistry of rhenium and technetium. II. Schiff base complexes with polyfunctional amino acids

    International Nuclear Information System (INIS)

    Du Preez, J.G.H.; Gerber, T.I.A.; Fourie, P.J.; Van Wyk, A.J.

    1984-01-01

    Amino acid Schiff base technetium(V) complexes of salicylaldehyde with l-cysteine, l-serine, l-histodine, l-threonine, l-glutamic acid and l-tryptophan have been preapred by direct reaction and by constituent combination. The amino acid part of the ligands coordinates to the technetium through the carboxylate group, while the other available functional group of the amino acids plays a more minor role as blocking group or in intramolecular bonding. 3 tables

  9. 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

  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. 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.

  12. Indoor Chemistry

    DEFF Research Database (Denmark)

    Weschler, Charles J.; Carslaw, Nicola

    2018-01-01

    This review aims to encapsulate the importance, ubiquity, and complexity of indoor chemistry. We discuss the many sources of indoor air pollutants and summarize their chemical reactions in the air and on surfaces. We also summarize some of the known impacts of human occupants, who act as sources...... and sinks of indoor chemicals, and whose activities (e.g., cooking, cleaning, smoking) can lead to extremely high pollutant concentrations. As we begin to use increasingly sensitive and selective instrumentation indoors, we are learning more about chemistry in this relatively understudied environment....

  13. 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

  14. The revenue generated from clinical chemistry and hematology laboratory services as determined using activity-based costing (ABC) model.

    Science.gov (United States)

    Adane, Kasaw; Abiy, Zenegnaw; Desta, Kassu

    2015-01-01

    The rapid and continuous growth of health care cost aggravates the frequently low priority and less attention given in financing laboratory services. The poorest countries have the highest out-of-pocket spending as a percentage of income. Higher charges might provide a greater potential for revenue. If fees raise quality sufficiently, it can enhance usage. Therefore, estimating the revenue generated from laboratory services could help in capacity building and improved quality service provision. Panel study design was used to determine revenue generated from clinical chemistry and hematology services at Tikur Anbessa Specialized Teaching Hospital, Addis Ababa, Ethiopia. Activity-Based Costing (ABC) model was used to determine the true cost of tests performed from October 2011 to December 2011 in the hospital. The principle of Activity-based Costing is that activities consume resources and activities consumed by services which incur the costs and hence service takes the cost of resources. All resources with costs are aggregated with the established casual relationships. The process maps designed was restructured in consultation with the senior staffs working and/or supervising the laboratory and pretested checklists were used for observation. Moreover, office documents, receipts and service bills were used while collecting data. The amount of revenue collected from services was compared with the cost of each subsequent test and the profitability or return on investment (ROI) of services was calculated. Data were collected, entered, cleaned, and analyzed using Microsoft Excel 2007 software program and Statistical Software Package for Social Sciences version 19 (SPSS). Paired sample t test was used to compare the price and cost of each test. P-value less than 0.05 were considered as statistically significant. A total of 25,654 specimens were analyzed during 3 months of regular working hours. The total numbers of clinical chemistry and hematology tests performed during

  15. Friction and surface chemistry of some ferrous-base metallic glasses

    Science.gov (United States)

    Miyoshi, K.; Buckley, D. H.

    1982-01-01

    The friction properties of some ferrous-base metallic glasses were measured both in argon and in vacuum to a temperature of 350 C. The alloy surfaces were also analyzed with X-ray photoelectron spectroscopy to identify the compounds and elements present on the surface. The results of the investigation indicate that even when the surfaces of the amorphous alloys, or metallic glasses, are atomically clean, bulk contaminants such as boric oxide and silicon dioxide diffuse to the surfaces. Friction measurements in both argon and vacuum indicate that the alloys exhibit higher coefficients of friction in the crystalline state than they do in the amorphous state.

  16. Determination of flumioxazin residue in food samples through a sensitive fluorescent sensor based on click chemistry.

    Science.gov (United States)

    Lu, Lijun; Yang, Linlin; Cai, Huijian; Zhang, Lan; Lin, Zhenyu; Guo, Longhua; Qiu, Bin; Chen, Guonan

    2014-11-01

    A sensitive and selective fluorescent sensor for flumioxazin was designed based on the formation of strong fluorescence compound (1,2,3-triazole compounds) via the reaction of the alkynyl group in flumioxazin with 3-azido-7-hydroxycoumarin, a weak-fluorescent compound, through the Cu(+)-catalysed azide-alkyne cycloaddition (CuAAC) reaction. The fluorescence increase factor (represented by F/F0) of the system exhibited a good linear relationship with the concentrations of flumioxazin in the range of 0.25-6.0 μg/L with a detection limit of 0.18 μg/L (S/N=3). Also, the proposed fluorescent sensor demonstrated good selectivity for flumioxazin assay even in the presence of high concentration of other pesticides. Based on such high sensitivity and selectivity, the proposed fluorescent sensor has been applied to test the flumioxazin residue in some vegetable and water samples with satisfied results. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. 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.

  18. 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..

  19. 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.

  20. 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

  1. 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

  2. Confectionary Chemistry.

    Science.gov (United States)

    Levine, Elise Hilf

    1996-01-01

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

  3. Supramolecular Chemistry

    Indian Academy of Sciences (India)

    by-product from the 'unattractive goo' of an experiment which had gone wrong. Pederson examined the product and the struc- ture of dibenzo-18-crown-6 was determined (Figure 2A). Inter- estingly, in presence. 1. N Jayaraman, 2016 Nobel. Prize in Chemistry: Confer- ring Molecular Machines as. Engines of Creativity ...

  4. Exposure assessment of metal-based nanoparticles in aquatic environments: interactive influence of water chemistry and nanopaticle characteristics

    CSIR Research Space (South Africa)

    Thwala, Melusi

    2014-09-01

    Full Text Available in aquatic environments: interactive influence of water chemistry and nanopaticle characteristics Thwala M; Radebe N; Tancu Y and Musee N Abstract Transformation and bioavailability information of engineered nanoparticles (ENPs) in environmental...

  5. Food carbohydrate chemistry

    National Research Council Canada - National Science Library

    Wrolstad, R. E

    2012-01-01

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

  6. Handbook of heterocyclic chemistry

    National Research Council Canada - National Science Library

    Katritzky, Alan R

    2010-01-01

    ... Heterocyclic Chemistry I (1984) Comprehensive Heterocyclic Chemistry II (1996) Comprehensive Heterocyclic Chemistry III (2008) Comprehensive Organic Functional Group Transformations I (1995) Compreh...

  7. Dual soft-template system based on colloidal chemistry for the synthesis of hollow mesoporous silica nanoparticles.

    Science.gov (United States)

    Li, Yunqi; Bastakoti, Bishnu Prasad; Imura, Masataka; Tang, Jing; Aldalbahi, Ali; Torad, Nagy L; Yamauchi, Yusuke

    2015-04-20

    A new dual soft-template system comprising the asymmetric triblock copolymer poly(styrene-b-2-vinyl pyridine-b-ethylene oxide) (PS-b-P2VP-b-PEO) and the cationic surfactant cetyltrimethylammonium bromide (CTAB) is used to synthesize hollow mesoporous silica (HMS) nanoparticles with a center void of around 17 nm. The stable PS-b-P2VP-b-PEO polymeric micelle serves as a template to form the hollow interior, while the CTAB surfactant serves as a template to form mesopores in the shells. The P2VP blocks on the polymeric micelles can interact with positively charged CTA(+) ions via negatively charged hydrolyzed silica species. Thus, dual soft-templates clearly have different roles for the preparation of the HMS nanoparticles. Interestingly, the thicknesses of the mesoporous shell are tunable by varying the amounts of TEOS and CTAB. This study provides new insight on the preparation of mesoporous materials based on colloidal chemistry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Adsorption of ethylene carbonate on lithium cobalt oxide thin films: A synchrotron-based spectroscopic study of the surface chemistry

    Science.gov (United States)

    Fingerle, Mathias; Späth, Thomas; Schulz, Natalia; Hausbrand, René

    2017-11-01

    The surface chemistry of cathodic lithium cobalt oxide (LiCoO2) in contact with the Li-ion battery solvent ethylene carbonate (EC) was studied via synchrotron based soft X-ray photoelectron spectroscopy (SXPS). By stepwise in-situ adsorption of EC onto an rf-magnetron sputtered LiCoO2 thin film and consecutive recording of SXPS spectra, the chemical and electronic properties of the interface were determined. EC partially decomposes and forms a predominantly organic adlayer. Prolonged exposure results in the formation of a condensed EC layer, demonstrating that the decomposition layer has passivating properties. Lithium ions deintercalate from the electrode and are dissolved in the adsorbate phase, without forming a large amount of Li-containing reaction products, indicating that electrolyte reduction remains limited. Due to a large offset between the LiCoO2 valence band and the EC HOMO, oxidation of EC molecules is unlikely, and should require energy level shifts due to interaction or double layer effects for real systems.

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

    Science.gov (United States)

    Toshimitsu, Fumiyuki; Nakashima, Naotoshi

    2014-10-03

    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.

  10. What are they thinking? Automated analysis of student writing about acid-base chemistry in introductory biology.

    Science.gov (United States)

    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 explanations were rated by two independent raters. Responses were also analyzed using SPSS Text Analysis for Surveys and a custom library of science-related terms and lexical categories relevant to the assessment item. These analyses revealed conceptual connections made by students, student difficulties explaining these topics, and the heterogeneity of student ideas. We validated the lexical analysis by correlating student interviews with the lexical analysis. We used discriminant analysis to create classification functions that identified seven key lexical categories that predict expert scoring (interrater reliability with experts = 0.899). This study suggests that computerized lexical analysis may be useful for automatically categorizing large numbers of student open-ended responses. Lexical analysis provides instructors unique insights into student thinking and a whole-class perspective that are difficult to obtain from multiple-choice questions or reading individual responses.

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

    Science.gov (United States)

    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 explanations were rated by two independent raters. Responses were also analyzed using SPSS Text Analysis for Surveys and a custom library of science-related terms and lexical categories relevant to the assessment item. These analyses revealed conceptual connections made by students, student difficulties explaining these topics, and the heterogeneity of student ideas. We validated the lexical analysis by correlating student interviews with the lexical analysis. We used discriminant analysis to create classification functions that identified seven key lexical categories that predict expert scoring (interrater reliability with experts = 0.899). This study suggests that computerized lexical analysis may be useful for automatically categorizing large numbers of student open-ended responses. Lexical analysis provides instructors unique insights into student thinking and a whole-class perspective that are difficult to obtain from multiple-choice questions or reading individual responses. PMID:22949425

  12. Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra.

    Science.gov (United States)

    Grimme, Stefan; Bannwarth, Christoph; Dohm, Sebastian; Hansen, Andreas; Pisarek, Jana; Pracht, Philipp; Seibert, Jakob; Neese, Frank

    2017-11-13

    We present a composite procedure for the quantum-chemical computation of spin-spin-coupled 1 H NMR spectra for general, flexible molecules in solution that is based on four main steps, namely conformer/rotamer ensemble (CRE) generation by the fast tight-binding method GFN-xTB and a newly developed search algorithm, computation of the relative free energies and NMR parameters, and solving the spin Hamiltonian. In this way the NMR-specific nuclear permutation problem is solved, and the correct spin symmetries are obtained. Energies, shielding constants, and spin-spin couplings are computed at state-of-the-art DFT levels with continuum solvation. A few (in)organic and transition-metal complexes are presented, and very good, unprecedented agreement between the theoretical and experimental spectra was achieved. The approach is routinely applicable to systems with up to 100-150 atoms and may open new avenues for the detailed (conformational) structure elucidation of, for example, natural products or drug molecules. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  13. 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.

  14. 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

    abstract 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. PMID:26595350

  15. 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,…

  16. 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.

  17. Crossing Levels and Representations: The Connected Chemistry (CC1) Curriculum

    Science.gov (United States)

    Levy, Sharona T.; Wilensky, Uri

    2009-01-01

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

  18. A qualitative case study of instructional support for web-based simulated laboratory exercises in online college chemistry laboratory courses

    Science.gov (United States)

    Schulman, Kathleen M.

    This study fills a gap in the research literature regarding the types of instructional support provided by instructors in online introductory chemistry laboratory courses that employ chemistry simulations as laboratory exercises. It also provides information regarding students' perceptions of the effectiveness of that instructional support. A multiple case study methodology was used to carry out the research. Two online introductory chemistry courses were studied at two community colleges. Data for this study was collected using phone interviews with faculty and student participants, surveys completed by students, and direct observation of the instructional designs of instructional support in the online Blackboard web sites and the chemistry simulations used by the participating institutions. The results indicated that the instructors provided multiple types of instructional support that correlated with forms of effective instructional support identified in the research literature, such as timely detailed feedback, detailed instructions for the laboratory experiments, and consistency in the instructional design of lecture and laboratory course materials, including the chemistry lab simulation environment. The students in one of these courses identified the following as the most effective types of instructional support provided: the instructor's feedback, opportunities to apply chemistry knowledge in the chemistry lab exercises, detailed procedures for the simulated laboratory exercises, the organization of the course Blackboard sites and the chemistry lab simulation web sites, and the textbook homework web sites. Students also identified components of instructional support they felt were missing. These included a desire for more interaction with the instructor, more support for the simulated laboratory exercises from the instructor and the developer of the chemistry simulations, and faster help with questions about the laboratory exercises or experimental

  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. 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…

  1. Fine chemistry

    International Nuclear Information System (INIS)

    Laszlo, P.

    1988-01-01

    The 1988 progress report of the Fine Chemistry laboratory (Polytechnic School, France) is presented. The research programs are centered on the renewal of the organic chemistry most important reactions and on the invention of new, highly efficient and highly selective reactions, by applying low cost reagents and solvents. An important research domain concerns the study and fabrication of new catalysts. They are obtained by means of the reactive sputtering of the metals and metal oxydes thin films. The Monte Carlo simulations of the long-range electrostatic interaction in a clay and the obtention of acrylamides from anhydrous or acrylic ester are summarized. Moreover, the results obtained in the field of catalysis are also given. The published papers and the congress communications are included [fr

  2. Comparison of commercial organic polymer-based and silica-based monolithic columns using mixtures of analytes differing in size and chemistry.

    Science.gov (United States)

    Vyviurska, Olga; Lv, Yongqin; Mann, Benjamin F; Svec, Frantisek

    2018-01-02

    Commercially available silica-based monolithic columns Chromolith RP-8e, Chromolith RP-18, and Chromolith HR RP-18, and polymer-based monolithic columns ProSwift RP-1S, ProSwift RP-2H, and ProSwift RP-3U varying in pore size and bonded phase have been tested for the fast separation of selected sets of analytes. These mixtures of analytes included small molecules (uracil, caffeine, 1-phenylethanol, butyl paraben, and anthracene), acylated insulins, and intact proteins (ribonuclease A, cytochrome C, transferrin, apomyoglobin, and thyroglobulin), and covered wide range of chemistries and sizes. Small molecules were well separated with a height equivalent to theoretical plate of 11-26 μm using silica-based monolithic columns, while organic polymer-based monoliths excelled in the fast sub 1 min baseline separations of large molecules. A peak capacity of 37 was found for separation of acylated insulins on Chromolith columns using a 3 min gradient at a flow rate of 3 ml/min. Poor recovery of proteins from Chromolith columns and significant peak tailing of small molecules using ProSwift columns were the major obstacles in using monolithic columns in those applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Frontiers in nuclear chemistry

    International Nuclear Information System (INIS)

    Sood, D.D.; Reddy, A.V.R.; Pujari, P.K.

    1996-01-01

    This book contains articles on the landmarks in nuclear and radiochemistry which takes through scientific history spanning over five decades from the times of Roentgen to the middle of this century. Articles on nuclear fission and back end of the nuclear fuel cycle give an insight into the current status of this subject. Reviews on frontier areas like lanthanides, actinides, muonium chemistry, accelerator based nuclear chemistry, fast radiochemical separations and nuclear medicine bring out the multidisciplinary nature of nuclear sciences. This book also includes an article on environmental radiochemistry and safety. Chapters relevant to INIS are indexed separately

  4. 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

  5. Chemistry and physics

    International Nuclear Information System (INIS)

    Broerse, J.J.; Barendsen, G.W.; Kal, H.B.; Kogel, A.J. van der

    1983-01-01

    This book contains the extended abstracts of the contributions of the poster workshop sessions on chemistry and physics of the 7th international congress of radiation research. They cover the following main topics: primary processes in radiation physics and chemistry, general chemistry in radiation chemistry, DNA and model systems in radiation chemistry, molecules of biological interest in radiation chemistry, techniques in radiation chemistry, hot atom chemistry. refs.; figs.; tabs

  6. Radioanalytical chemistry

    International Nuclear Information System (INIS)

    1982-01-01

    The bibliography of Hungarian literature in the field of radioanalytical chemistry covers the four-year period 1976-1979. The list of papers contains 290 references in the alphabetical order of the first authors. The majority of the titles belongs to neutron activation analysis, labelling, separation and determination of radioactive isotopes. Other important fields like radioimmunoassay, environmental protection etc. are covered as well. (Sz.J.)

  7. Analytical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

    The division for Analytical Chemistry continued to try and develope an accurate method for the separation of trace amounts from mixtures which, contain various other elements. Ion exchange chromatography is of special importance in this regard. New separation techniques were tried on certain trace amounts in South African standard rock materials and special ceramics. Methods were also tested for the separation of carrier-free radioisotopes from irradiated cyclotron discs

  8. Green chemistry

    International Nuclear Information System (INIS)

    Warner, John C.; Cannon, Amy S.; Dye, Kevin M.

    2004-01-01

    A grand challenge facing government, industry, and academia in the relationship of our technological society to the environment is reinventing the use of materials. To address this challenge, collaboration from an interdisciplinary group of stakeholders will be necessary. Traditionally, the approach to risk management of materials and chemicals has been through inerventions intended to reduce exposure to materials that are hazardous to health and the environment. In 1990, the Pollution Prevention Act encouraged a new tact-elimination of hazards at the source. An emerging approach to this grand challenge seeks to embed the diverse set of environmental perspectives and interests in the everyday practice of the people most responsible for using and creating new materials--chemists. The approach, which has come to be known as Green Chemistry, intends to eliminate intrinsic hazard itself, rather than focusing on reducing risk by minimizing exposure. This chapter addresses the representation of downstream environmental stakeholder interests in the upstream everyday practice that is reinventing chemistry and its material inputs, products, and waste as described in the '12 Principles of Green Chemistry'

  9. Green chemistry

    International Nuclear Information System (INIS)

    Colonna, P.

    2006-01-01

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

  10. Coordination chemistry of technetium

    International Nuclear Information System (INIS)

    Together with development of chemistry of radiopharmaceuticals, coordination chemistry of technetium has recently progressed. The synthetic procedures of technetium complexes have also been established in a various oxidation states. Especially, technetium(V) complexes which possess a Tc=0 or 0=Tc = 0 core are interested from a view point kinetic stability. In the present paper, substitution reaction mechanisms of Tc(V), Tc(IV) and Tc(III) complexes coordinated with a β-diketone as ligand are discussed in connection with the structural chemistry of technetium complexes. The base hydrolysis of halobis(β-diketonato)oxotechnetium(V) and dihalobis (β-diketonato)technetium(IV) complexes liberate halide ion by the attack of hydroxide ion, followed by the liberation of β-diketones. Technetium is found to be pertechnetate as a final product

  11. Chemistry of plutonium revealed

    International Nuclear Information System (INIS)

    Connick, R.E.

    1992-01-01

    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

  12. The Composition and Chemistry of the Deep Tropospheres of Saturn and Uranus from Ground-Based Radio Observations

    Science.gov (United States)

    Hofstadter, M. D.; Adumitroaie, V.; Atreya, S. K.; Butler, B.

    2017-12-01

    Ground-based radio observations of the giant planets at wavelengths from 1 millimeter to 1 meter have long been the primary means to study the deep tropospheres of both gas- and ice-giant planets (e.g. de Pater and Massie 1985, Icarus 62; Hofstadter and Butler 2003, Icarus 165). Most recently, radiometers aboard the Cassini and Juno spacecraft at Saturn and Jupiter, respectively, have demonstrated the ability of spaceborne systems to study composition and weather beneath the visible cloud tops with high spatial resolution (Janssen et al. 2013, Icarus 226; Bolton et al. 2016, this meeting). Ground-based observations remain, however, an excellent way to study the tropospheres of the ice giants, particularly the temporal and spatial distribution of condensible species, and to study the deep troposphere of Saturn in the region of the water cloud. This presentation focuses on two ground-based data sets, one for Uranus and one for Saturn. The Uranus data were all collected near the 2007 equinox, and span wavelengths from 0.1 to 20 cm. These data provide a snapshot of atmospheric composition at a single season. The Saturn observations were recently made with the EVLA observatory at wavelengths from 3 to 90 cm, augmented by published observations at shorter and longer wavelengths. It is expected that these data will allow us to constrain conditions in the water cloud region on Saturn. At the time of this writing, both data sets are being analyzed using an optimal estimation retrieval algorithm fed with the latest published information on the chemical and electrical properties of relevant atmospheric species (primarily H2O, NH3, H2S, PH3, and free electrons). At Uranus, we find that—consistent with previously published work—ammonia in the 1 to 50-bar range is strongly depleted from solar values. The relative volume mixing ratios of the above species satisfy PH3 < NH3 < H2S < H2O, which is interesting because based on cosmic abundances one would expect H2S < NH3. At the

  13. 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.…

  14. 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.

  15. Effect of solution chemistry on arsenic sorption by Fe- and Al-based drinking-water treatment residuals.

    Science.gov (United States)

    Nagar, Rachana; Sarkar, Dibyendu; Makris, Konstantinos C; Datta, Rupali

    2010-02-01

    Drinking-water treatment residual (WTR) have been proposed as a low-cost alternative sorbent for arsenic (As) - contaminated aquatic and soil systems. However, limited information exists regarding the effect of solution chemistry on As sorption by WTR. A batch incubation study was carried out to investigate the effect of solution pH (3-9) on As(V) sorption by Al- and Fe-based WTR as a function of solid: solution ratio (SSR) and initial As concentration. The effect of competing ligands (phosphate-P(V) and sulfate), and complexing metal (calcium) on As(V) sorption envelopes at the optimum SSR (200gL(-1)) was also evaluated. At 200gL(-1) SSR, maximum As(V) sorption ( approximately 100%) exhibited by the Fe-WTR was limited at the pH range of 3-7, whereas, the Al-WTR demonstrated approximately 100% As(V) sorption in the entire pH range. The negative pH effect on As(V) sorption became more pronounced with increasing initial As concentrations and decreasing SSR. Sorption of As(V) by surfaces of both WTR decreased in the presence of P(V), exhibiting strong pH dependence. Only for the Fe-WTR, increased dissolved iron concentrations at pH>7 supported a Fe-hydroxide reductive dissolution mechanism to account for the enhanced As sorption at alkaline pH. Addition of sulfate did not influence As(V) sorption by both WTR. A cooperative effect of calcium on As(V) sorption was observed at alkaline pH due to the formation of a calcium-arsenate phase. The constant capacitance model provided reasonable fits to the sorption envelope data for both single ion and binary ion (As and P) systems, but it was unable to explain the enhanced As sorption by the Fe-WTR at pH>7.

  16. Removal of triazine-based pollutants from water by carbon nanotubes: Impact of dissolved organic matter (DOM) and solution chemistry.

    Science.gov (United States)

    Engel, Maya; Chefetz, Benny

    2016-12-01

    Adsorption of organic pollutants by carbon nanotubes (CNTs) in the environment or removal of pollutants during water purification require deep understanding of the impacts of the presence of dissolved organic matter (DOM). DOM is an integral part of environmental systems and plays a key role affecting the behavior of organic pollutants. In this study, the effects of solution chemistry (pH and ionic strength) and the presence of DOM on the removal of atrazine and lamotrigine by single-walled CNTs (SWCNTs) was investigated. The solubility of atrazine slightly decreased (∼5%) in the presence of DOM, whereas that of lamotrigine was significantly enhanced (by up to ∼70%). Simultaneous introduction of DOM and pollutant resulted in suppression of removal of both atrazine and lamotrigine, which was attributed to DOM-pollutant competition or blockage of adsorption sites by DOM. However the decrease in removal of lamotrigine was also a result of its complexation with DOM. Pre-introduction of DOM significantly reduced pollutant adsorption by the SWCNTs, whereas introduction of DOM after the pollutant resulted in the release of adsorbed atrazine and lamotrigine from the SWCNTs. These data imply that DOM exhibits higher affinity for the adsorption sites than the triazine-based pollutants. In the absence of DOM atrazine was a more effective competitor than lamotrigine for adsorption sites in SWCNTs. However, competition between pollutants in the presence of DOM revealed lamotrigine as the better competitor. Our findings help unravel the complex DOM-organic pollutant-CNT system and will aid in CNT-implementation in water-purification technologies. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. A next generation enzymatic magnesium assay on the Abbott ARCHITECT chemistry system meets performance goals based on biological variation.

    Science.gov (United States)

    Bailey, D; Martens, P; Mah, W; Yip, P M

    2014-01-01

    To evaluate the performance of the Abbott ARCHITECT enzymatic assay for magnesium (3P68) in serum/plasma and urine against analytical goals based on biological variation. Analytical performance was evaluated according to CLSI protocols. Precision was examined using commercial chemistry controls. Accuracy was assessed against NIST SRM 956c, electrolytes in human serum. Correlation with the arsenazo Mg assay (7D70) was completed using patient samples (plasma, N = 101; urine, N = 90). Common interferences were examined in pooled patient specimens with high and low magnesium concentrations. The enzymatic Mg assay displayed imprecision of 1.7% at 0.72 mmol/L and 1.4% at 1.80 mmol/L (20 days, one calibration, one reagent lot). The linear range was verified between 0.18-7.0 mmol/L (plasma) and 0.01-10.69 mmol/L (urine). Results of the enzymatic assay (x) correlated well with the predicate assay (y) with the relationships y = 0.891x + 0.035, R = 0.967 (plasma) and y = 1.181x + 0.086, R = 0.997 (urine). Mean bias of the NIST SRM 956 c samples was -1.4%. This method showed minimal interference by hemoglobin (3g/L as hemolysate), lipemia (20 g/L Intralipid), unconjugated bilirubin (531 μmol/L), and ascorbate (680 μmol/L). The ARCHITECT Magnesium assay 3P68 achieved the desirable analytical quality specification of 4.8% for total allowable error. In comparison to the 7D70 assay, notable improvements are seen in precision, 30-day calibration stability, and minimal interference by hemolyzed and lipemic samples. © 2013.

  18. Effect of Computer-Based Blended Learning Strategy on Secondary School Chemistry Students� Retention in Individualised and Collaborative Learning Settings in Minna, Nigeria

    OpenAIRE

    M.S. Suleiman; B.M. Salaudeen; O.C. Falode

    2017-01-01

    This study investigated effects of Computer-based blended learning strategy on Secondary School Chemistry students retention in individualised and collaborative learning settings in Minna, Niger State, Nigeria. The study adopted a quazi-experimental design and three research questions and three null hypotheses were formulated to guide the study. Multi-staged sampling procedure was used to select a total of 120 (71 female & 49 male) students from three co-educational schools within the study a...

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

    OpenAIRE

    Mica, Chloe

    2016-01-01

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

  20. Interstellar chemistry

    Science.gov (United States)

    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 observed is a challenge for complete understanding. The role and nature of reactions involving grain surfaces as well as new spectroscopic observations of interstellar and circumstellar regions are topics presented in this special feature. PMID:16894148

  1. 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…

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

    Science.gov (United States)

    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…

  3. 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

  4. Design of supported bi-metallic nanoparticles based on Platinum and Palladium using Surface Organometallic Chemistry (SOMC)

    KAUST Repository

    Al-Shareef, Reem A.

    2017-11-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx (where x is the molar ratio of Pd) are prepared by Surface Organometallic Chemistry (SOMC) via controlled decomposition of Pd2(allyl)2Cl2 on Pt/SiO2. For comparison purposes, Pt100-x Pdx bimetallic catalysts is also prepared by ion-exchange (IE). According to the results of STEM, XAS and H2 chemisorption, all bimetallic nanoparticles, prepared using neither SOMC nor IE, produce discrete formation of monometallic species (either Pt or Pd). Most catalysts exhibit a narrow particle size distribution with an average diameter ranging from 1 to 3 nm for samples prepared by IE and from 2 to 5 nm for the ones synthesized by SOMC. For all catalysts investigated in the present work, iso-butane reaction with hydrogen under differential conditions (conversions below 5%) leads to the formation of methane and propane (hydrogenolysis), n-butane (isomerization), and traces of iso-butylene (dehydrogenation). The total rate of reaction decreases with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate (expressed as moles converted per total surface metal per second) of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the results suggest a selective coverage of Pt (100) surface by a Pd layer, followed by a buildup of Pd overcoat onto a Pd layer assuming that each metal keeps its intrinsic catalytic properties. There is no mutual electronic charge transfer between the two metals (DFT). For the PtPd catalysts prepared by IE, the catalytic behavior cannot simply be explained by a surface coverage of highly active Pt metal by less active Pd (not observed), suggesting there is formation of a surface alloy between Pt and Pd collaborated by EXAFS and DFT. The catalytic results are explained by a simple structure activity relationship based on the previously proposed mechanism of C-H bond and C-C Bond activation and cleavage for iso-butane hydrogenolysis

  5. 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…

  6. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Majer, K.

    1982-01-01

    The textbook is a Czech-to-German translation of the second revised edition and covers the subject under the headings: general nuclear chemistry, methods of nuclear chemistry, preparative nuclear chemistry, analytical nuclear chemistry, and applied chemistry. The book is especially directed to students

  7. 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.

  8. 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

  9. Cyclodextrin chemistry

    International Nuclear Information System (INIS)

    Khan, M.Z.; Chuaqui, C.A.

    1990-05-01

    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

  10. 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).

  11. 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

  12. Laboratory-based clinical audit as a tool for continual improvement: an example from CSF chemistry turnaround time audit in a South-African teaching hospital.

    Science.gov (United States)

    Imoh, Lucius C; Mutale, Mubanga; Parker, Christopher T; Erasmus, Rajiv T; Zemlin, Annalise E

    2016-01-01

    Timeliness of laboratory results is crucial to patient care and outcome. Monitoring turnaround times (TAT), especially for emergency tests, is important to measure the effectiveness and efficiency of laboratory services. Laboratory-based clinical audits reveal opportunities for improving quality. Our aim was to identify the most critical steps causing a high TAT for cerebrospinal fluid (CSF) chemistry analysis in our laboratory. A 6-month retrospective audit was performed. The duration of each operational phase across the laboratory work flow was examined. A process-mapping audit trail of 60 randomly selected requests with a high TAT was conducted and reasons for high TAT were tested for significance. A total of 1505 CSF chemistry requests were analysed. Transport of samples to the laboratory was primarily responsible for the high average TAT (median TAT = 170 minutes). Labelling accounted for most delays within the laboratory (median TAT = 71 minutes) with most delays occurring after regular work hours (P audit identified sample transportation, work shift periods and use of inappropriate CSF sample tubes as drivers of high TAT for CSF chemistry in our laboratory. The results of this audit will be used to change pre-analytical practices in our laboratory with the aim of improving TAT and customer satisfaction.

  13. Environmental chemistry. Seventh edition

    Energy Technology Data Exchange (ETDEWEB)

    Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States)

    1999-11-01

    This book presents a basic understanding of environmental chemistry and its applications. In addition to providing updated materials in this field, the book emphasizes the major concepts essential to the practice of environmental chemistry. Topics of discussion include the following: toxicological chemistry; toxicological chemistry of chemical substances; chemical analysis of water and wastewater; chemical analysis of wastes and solids; air and gas analysis; chemical analysis of biological materials and xenobiotics; fundamentals of chemistry; and fundamentals of organic chemistry.

  14. Understanding of catalysis on early transition metal oxide-based catalysts through exploration of surface structure and chemistry during catalysis using in-situ approaches

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Franklin [Univ. of Kansas, Lawrence, KS (United States). Dept. of Chemical and Petroleum Engineering. Dept. of Chemistry

    2015-09-14

    Two main categories of heterogeneous catalysts are metal and metal oxide which catalyze 80% chemical reactions at solid-gas and solid-liquid interfaces. Metal oxide catalysts are much more complicated than metal catalysts. The reason is that the cations of the metal atoms could exhibit a few different oxidation states on surface of the same catalyst particle such as Co3O4 or change of their oxidation states under different reactive environments. For a metal catalyst, there is only one oxidation state typically. In addition, surface of a metal oxide can be terminated with multiple surface functionalities including O atoms with different binding configurations and OH group. For metal, only metal atoms are exposed typically. Obviously, the complication of surface chemistry and structure of a metal oxide makes studies of surface of an oxide catalyst very challenging. Due to the complication of surface of a meal oxide, the electronic and geometric structures of surface of a metal oxide and the exposed species have received enormous attention since oxide catalysts catalyze at least 1/3 chemical reactions in chemical and energy industries. Understanding of catalytic reactions on early transition metal oxide-based catalysts is fundamentally intriguing and of great practical interest in energy- and environment-related catalysis. Exploration of surface chemistry of oxide-based catalysts at molecular level during catalysis has remained challenging though it is critical in deeply understanding catalysis on oxide-based catalysts and developing oxide-based catalysts with high activity and selectivity. Thus, the overall objective of this project is to explore surface chemistry and structure of early transition metal oxide-based catalysts through in-situ characterization of surface of catalysts, measurements of catalytic performances, and then build an intrinsic correlation of surface chemistry and structure with their catalytic performances in a few

  15. 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)

  16. Chemistry and physics of a single atomic layer: strategies and challenges for functionalization of graphene and graphene-based materials.

    Science.gov (United States)

    Yan, Liang; Zheng, Yue Bing; Zhao, Feng; Li, Shoujian; Gao, Xingfa; Xu, Bingqian; Weiss, Paul S; Zhao, Yuliang

    2012-01-07

    Graphene has attracted great interest for its superior physical, chemical, mechanical, and electrical properties that enable a wide range of applications from electronics to nanoelectromechanical systems. Functionalization is among the significant vectors that drive graphene towards technological applications. While the physical properties of graphene have been at the center of attention, we still lack the knowledge framework for targeted graphene functionalization. In this critical review, we describe some of the important chemical and physical processes for graphene functionalization. We also identify six major challenges in graphene research and give perspectives and practical strategies for both fundamental studies and applications of graphene (315 references). This journal is © The Royal Society of Chemistry 2012

  17. 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.)

  18. Nuclear analytical chemistry

    International Nuclear Information System (INIS)

    Brune, D.; Forkman, B.; Persson, B.

    1984-01-01

    This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection

  19. 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.

  20. Zinc complexes developed as metallopharmaceutics for treating diabetes mellitus based on the bio-medicinal inorganic chemistry.

    Science.gov (United States)

    Yoshikawa, Yutaka; Yasui, Hiroyuki

    2012-01-01

    Biological trace metals such as iron, zinc, copper, and manganese are essential to life and health of humans, and the success of platinum drugs in the cancer chemotherapy has rapidly grown interest in developing inorganic pharmaceutical agents in medicinal chemistry, that is, medicinal inorganic chemistry, using essential elements and other biological trace metals. Transition metal complexes with unique chemical structures may be useful alternatives to the drugs available to address some of the incurable diseases. In this review, we emphasize that metal complexes are an expanding of interest in the research field of treatment of diabetes mellitus. Especially, orally active anti-diabetic and anti-metabolic syndrome zinc complexes have been developed and progressed since the discovery in 2001, where several highly potent anti-diabetic zinc complexes with different coordination structures have quite recently been disclosed, using experimental diabetic animals. In all of the complexes discussed, zinc is found to be biologically active and function by interacting with some target proteins related with diabetes mellitus. The design and screening of zinc complexes with higher activity is not efficient without consideration of the translational research. For the development of a clinically useful metallopharmaceutics, the research of zinc complexes on the long-term toxicity including side effects, clear-cut evidence of target molecule for the in vivo pharmacological action, and good pharmacokinetic property are essential in the current and future studies.

  1. 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…

  2. Matched molecular pair-based data sets for computer-aided medicinal chemistry [v2; ref status: indexed, http://f1000r.es/309

    Directory of Open Access Journals (Sweden)

    Ye Hu

    2014-02-01

    Full Text Available Matched molecular pairs (MMPs are widely used in medicinal chemistry to study changes in compound properties including biological activity, which are associated with well-defined structural modifications. Herein we describe up-to-date versions of three MMP-based data sets that have originated from in-house research projects. These data sets include activity cliffs, structure-activity relationship (SAR transfer series, and second generation MMPs based upon retrosynthetic rules. The data sets have in common that they have been derived from compounds included in the ChEMBL database (release 17 for which high-confidence activity data are available. Thus, the activity data associated with MMP-based activity cliffs, SAR transfer series, and retrosynthetic MMPs cover the entire spectrum of current pharmaceutical targets. Our data sets are made freely available to the scientific community.

  3. Matched molecular pair-based data sets for computer-aided medicinal chemistry [v1; ref status: indexed, http://f1000r.es/2w9

    Directory of Open Access Journals (Sweden)

    Ye Hu

    2014-02-01

    Full Text Available Matched molecular pairs (MMPs are widely used in medicinal chemistry to study changes in compound properties including biological activity, which are associated with well-defined structural modifications. Herein we describe up-to-date versions of three MMP-based data sets that have originated from in-house research projects. These data sets include activity cliffs, structure-activity relationship (SAR transfer series, and second generation MMPs based upon retrosynthetic rules. The data sets have in common that they have been derived from compounds included in the latest release of the ChEMBL database for which high-confidence activity data are available. Thus, the activity data associated with MMP-based activity cliffs, SAR transfer series, and retrosynthetic MMPs cover the entire spectrum of current pharmaceutical targets. Our data sets are made freely available to the scientific community.

  4. Electron tunneling in chemistry

    International Nuclear Information System (INIS)

    Zamaraev, K.I.; Khajrutdinov, R.F.; Zhdanov, V.P.; Molin, Yu.N.

    1985-01-01

    Results of experimental and theoretical investigations are outlined systematically on electron tunnelling in chemical reactions. Mechanism of electron transport to great distances is shown to be characteristic to chemical compounds of a wide range. The function of tunnel reactions is discussed for various fields of chemistry, including radiation chemistry, electrochemistry, chemistry of solids, chemistry of surface and catalysis

  5. Chemistry in Our Life

    Indian Academy of Sciences (India)

    IAS Admin

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

  6. Chemistry of high energies

    International Nuclear Information System (INIS)

    Bugaenko, L.T.; Kuz'min, M.G.; Polak, L.S.

    1988-01-01

    An attempt was made to integrate plasma chemistry, radiation chemistry and photochemistry under the name of ''Chemistry of high energies''. Theoretical background of these disciplines, as well as principles of their technology (methods of energy supply, methods of absorbed energy determination, apparatus and processes) are considered. Application of processes of high energy chemistry in engineering is discussed. 464 refs.; 85 figs.; 59 tabs

  7. Multi-scale multi-physics computational chemistry simulation based on ultra-accelerated quantum chemical molecular dynamics method for structural materials in boiling water reactor

    International Nuclear Information System (INIS)

    Miyamoto, Akira; Sato, Etsuko; Sato, Ryo; Inaba, Kenji; Hatakeyama, Nozomu

    2014-01-01

    In collaboration with experimental experts we have reported in the present conference (Hatakeyama, N. et al., “Experiment-integrated multi-scale, multi-physics computational chemistry simulation applied to corrosion behaviour of BWR structural materials”) the results of multi-scale multi-physics computational chemistry simulations applied to the corrosion behaviour of BWR structural materials. In macro-scale, a macroscopic simulator of anode polarization curve was developed to solve the spatially one-dimensional electrochemical equations on the material surface in continuum level in order to understand the corrosion behaviour of typical BWR structural material, SUS304. The experimental anode polarization behaviours of each pure metal were reproduced by fitting all the rates of electrochemical reactions and then the anode polarization curve of SUS304 was calculated by using the same parameters and found to reproduce the experimental behaviour successfully. In meso-scale, a kinetic Monte Carlo (KMC) simulator was applied to an actual-time simulation of the morphological corrosion behaviour under the influence of an applied voltage. In micro-scale, an ultra-accelerated quantum chemical molecular dynamics (UA-QCMD) code was applied to various metallic oxide surfaces of Fe 2 O 3 , Fe 3 O 4 , Cr 2 O 3 modelled as same as water molecules and dissolved metallic ions on the surfaces, then the dissolution and segregation behaviours were successfully simulated dynamically by using UA-QCMD. In this paper we describe details of the multi-scale, multi-physics computational chemistry method especially the UA-QCMD method. This method is approximately 10,000,000 times faster than conventional first-principles molecular dynamics methods based on density-functional theory (DFT), and the accuracy was also validated for various metals and metal oxides compared with DFT results. To assure multi-scale multi-physics computational chemistry simulation based on the UA-QCMD method for

  8. Acidic deposition: State of science and technology. Report 10. Watershed and lake processes affecting surface-water acid-base chemistry. Final report

    International Nuclear Information System (INIS)

    Turner, R.S.; Cook, R.B.; Miegroet, H.V.; Johnson, D.W.; Elwood, J.W.

    1990-09-01

    The acid-base chemistry of surface waters is governed by the amount and chemistry of deposition and by the biogeochemical reactions that generate acidity or acid neutralizing capacity (ANC) along the hydrologic pathways that water follows through watersheds to streams and lakes. The amount of precipitation and it chemical loading depend on the area's climate and physiography, on it proximity to natural or industrial gaseous or particulate sources, and on local or regional air movements. Vegetation interacts with the atmosphere to enhance both wet and dry deposition of chemicals to a greater or lesser extent, depending on vegetation type. Vegetation naturally acidifies the environment in humid regions through processes of excess base cation uptake and generation of organic acids associated with many biological processes. Natural acid production and atmospheric deposition of acidic materials drive the acidification process. The lake or stream NAC represents a balance between the acidity-and ANC-generating processes that occur along different flow paths in the watershed and the relative importance of each flow path

  9. Aerosol Fragmentation Driven by Coupling of Acid-Base and Free-Radical Chemistry in the Heterogeneous Oxidation of Aqueous Citric Acid by OH Radicals.

    Science.gov (United States)

    Liu, Matthew J; Wiegel, Aaron A; Wilson, Kevin R; Houle, Frances A

    2017-08-10

    A key uncertainty in the heterogeneous oxidation of carboxylic acids by hydroxyl radicals (OH) in aqueous-phase aerosol is how the free-radical reaction pathways might be altered by acid-base chemistry. In particular, if acid-base reactions occur concurrently with acyloxy radical formation and unimolecular decomposition of alkoxy radicals, there is a possibility that differences in reaction pathways impact the partitioning of organic carbon between the gas and aqueous phases. To examine these questions, a kinetic model is developed for the OH-initiated oxidation of citric acid aerosol at high relative humidity. The reaction scheme, containing both free-radical and acid-base elementary reaction steps with physically validated rate coefficients, accurately predicts the experimentally observed molecular composition, particle size, and average elemental composition of the aerosol upon oxidation. The difference between the two reaction channels centers on the reactivity of carboxylic acid groups. Free-radical reactions mainly add functional groups to the carbon skeleton of neutral citric acid, because carboxylic acid moieties deactivate the unimolecular fragmentation of alkoxy radicals. In contrast, the conjugate carboxylate groups originating from acid-base equilibria activate both acyloxy radical formation and carbon-carbon bond scission of alkoxy radicals, leading to the formation of low molecular weight, highly oxidized products such as oxalic and mesoxalic acid. Subsequent hydration of carbonyl groups in the oxidized products increases the aerosol hygroscopicity and accelerates the substantial water uptake and volume growth that accompany oxidation. These results frame the oxidative lifecycle of atmospheric aerosol: it is governed by feedbacks between reactions that first increase the particle oxidation state, then eventually promote water uptake and acid-base chemistry. When coupled to free-radical reactions, acid-base channels lead to formation of low molecular

  10. Blending Problem-Based Learning and Peer-Led Team Learning, in an Open Ended "Home-Grown" Pharmaceutical Chemistry Case Study

    Science.gov (United States)

    Veale, Clinton G. L.; Krause, Rui W. M.; Sewry, Joyce D.

    2018-01-01

    Pharmaceutical chemistry, medicinal chemistry and the drug discovery process require experienced practitioners to employ reasoned speculation in generating creative ideas, which can be used to evolve promising molecules into drugs. The ever-evolving world of pharmaceutical chemistry requires university curricula that prepare graduates for their…

  11. Automated quantum chemistry based molecular dynamics simulations of electron ionization induced fragmentations of the nucleobases Uracil, Thymine, Cytosine, and Guanine.

    Science.gov (United States)

    Grimme, Stefan; Bauer, Christopher Alexander

    2015-01-01

    The gas-phase decomposition pathways of electron ionization (EI)-induced radical cations of the nucleobases uracil, thymine, cytosine, and guanine are investigated by means of mixed quantum-classical molecular dynamics. No preconceived fragmentation channels are used in the calculations. The results compare well to a plethora of experimental and theoretical data for these important biomolecules. With our combined stochastic and dynamic approach, one can access in an unbiased way the energetically available decomposition mechanisms. Additionally, we are able to separate the EI mass spectra of different tautomers of cytosine and guanine. Our method (previously termed quantum chemistry electron ionization mass spectra) reproduces free nucleobase experimental mass spectra well and provides detailed mechanistic in-sight into high-energy unimolecular decomposition processes.

  12. Comparison of Chain Conformation of Poly(vinyl alcohol) in Solutions and Melts from Quantum Chemistry Based Molecular Dynamics Simulations

    Science.gov (United States)

    Jaffe, Richard; Han, Jie; Matsuda, Tsunetoshi; Yoon, Do; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Confirmations of 2,4-dihydroxypentane (DHP), a model molecule for poly(vinyl alcohol), have been studied by quantum chemistry (QC) calculations and molecular dynamics (MD) simulations. QC calculations at the 6-311G MP2 level show the meso tt conformer to be lowest in energy followed by the racemic tg, due to intramolecular hydrogen bond between the hydroxy groups. The Dreiding force field has been modified to reproduce the QC conformer energies for DHP. MD simulations using this force field have been carried out for DHP molecules in the gas phase, melt, and CHCl3 and water solutions. Extensive intramolecular hydrogen bonding is observed for the gas phase and CHCl3 solution, but not for the melt or aqueous solution, Such a condensed phase effect due to intermolecular interactions results in a drastic change in chain conformations, in agreement with experiments.

  13. Relationships between indicators of acid-base chemistry and fish assemblages in streams of the Great Smoky Mountains National Park

    Science.gov (United States)

    Baldigo, Barry P.; Kulp, Matt A.; Schwartz, John S.

    2018-01-01

    The acidity of many streams in the Great Smoky Mountains National Park (GRSM) has increased significantly since pre-industrial (∼1850) times due to the effects of highly acidic atmospheric deposition in poorly buffered watersheds. Extensive stream-monitoring programs since 1993 have shown that fish and macroinvertebrate assemblages have been adversely affected in many streams across the GRSM. Matching chemistry and fishery information collected from 389 surveys performed at 52 stream sites over a 22-year period were assessed using logistic regression analysis to help inform the U.S. Environmental Protection Agency’s assessment of the environmental impacts of emissions of oxides of nitrogen (NOx) and sulfur (SOx). Numerous logistic equations and associated curves were derived that defined the relations between acid neutralizing capacity (ANC) or pH and different levels of community richness, density, and biomass; and density and biomass of brook trout, rainbow trout, and small prey (minnow) populations in streams of the GRSM. The equations and curves describe the status of fish assemblages in the GRSM under contemporary emission levels and deposition loads of nitrogen (N) and sulfur (S) and provide a means to estimate how newly proposed (and various alternative) target deposition loads, which strongly influence stream ANC, might affect key ecological indicators. Several examples using ANC, community richness, and brook trout density are presented to illustrate the steps needed to predict how future changes in stream chemistry (resulting from different target deposition loads of N and S) will affect the probabilities of observing specific levels of selected biological indicators in GRSM streams. The implications of this study to the regulation of NOx and SOx emissions, water quality, and fisheries management in streams of the GRSM are discussed, but also qualified by the fact that specific examples provided need to be further explored before recommendations

  14. Bibliographies on radiation chemistry

    International Nuclear Information System (INIS)

    Hoffman, M.Z.; Ross, A.B.

    1986-01-01

    The one-electron oxidation and reduction of metal ions and complexes can yield species in unusual oxidation states, and ligand-radicals coordinated to the central metal. These often unstable species can be mechanistically important intermediates in thermal, photochemical, and electrochemical reactions involving metal-containing substances. Their generation via radiolysis provides an alternate means of characterizing them using kinetic and spectroscopic techniques. We hope these bibliographies on the radiation chemistry of metal ions and complexes, presented according to periodic groups, will prove useful to researchers in metallo-redox chemistry. These bibliographies contain only primary literature sources; reviews are not included. However, a list of general review articles on the radiation chemistry of metal ions and complexes is presented here in the first section which covers cobalt, rhodium and iridium, Group 9 in the new IUPAC notation. Additional parts of the bibliography are planned, covering other periodic groups. Part A of the bibliography was prepared by a search of the Radiation Chemistry Data Center Bibliographic Data Base (RCDCbib) through January 1986 for papers on rhodium, iridium and cobalt compounds, and radiolysis (both continuous and pulsed). Papers in which the use of metal compounds was incidental to the primary objective of the study were excluded. Excluded also were publications in unrefereed and obscure sources such as meeting proceedings, internal reports, dissertations, and patents. The majority of the studies in the resultant compilation deal with experiments performed on solutions, mainly aqueous, although a substantial fraction is devoted to solid-state esr measurements. The references are listed in separate sections for each of the metals, and are presented in approximate chronological order. (author)

  15. 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...

  16. 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.

  17. A DFT-Based Computational-Experimental Methodology for Synthetic Chemistry: Example of Application to the Catalytic Opening of Epoxides by Titanocene.

    Science.gov (United States)

    Jaraíz, Martín; Enríquez, Lourdes; Pinacho, Ruth; Rubio, José E; Lesarri, Alberto; López-Pérez, José L

    2017-04-07

    A novel DFT-based Reaction Kinetics (DFT-RK) simulation approach, employed in combination with real-time data from reaction monitoring instrumentation (like UV-vis, FTIR, Raman, and 2D NMR benchtop spectrometers), is shown to provide a detailed methodology for the analysis and design of complex synthetic chemistry schemes. As an example, it is applied to the opening of epoxides by titanocene in THF, a catalytic system with abundant experimental data available. Through a DFT-RK analysis of real-time IR data, we have developed a comprehensive mechanistic model that opens new perspectives to understand previous experiments. Although derived specifically from the opening of epoxides, the prediction capabilities of the model, built on elementary reactions, together with its practical side (reaction kinetics simulations of real experimental conditions) make it a useful simulation tool for the design of new experiments, as well as for the conception and development of improved versions of the reagents. From the perspective of the methodology employed, because both the computational (DFT-RK) and the experimental (spectroscopic data) components can follow the time evolution of several species simultaneously, it is expected to provide a helpful tool for the study of complex systems in synthetic chemistry.

  18. From hot atom chemistry to epithermal chemistry

    International Nuclear Information System (INIS)

    Roessler, K.

    2004-01-01

    The rise and fall of hot atom chemistry (HAC) over the years from 1934 to 2004 is reviewed. Several applications are discussed, in particular to astrophysics and the interaction of energetic ions and atoms in space. Epithermal chemistry (ETC) is proposed to substitute the old name, since it better fits the energy range as well as the non-thermal and non-equilibrium character of the reactions. ETC also avoids the strong connexion of HAC to nuclear chemistry and stands for the opening of the field to physical chemistry and astrophysics. (orig.)

  19. 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

  20. General chemistry

    International Nuclear Information System (INIS)

    2009-01-01

    This book explains chemical equilibrium with nature and characteristic of chemical equilibrium, law of mass action and direction of chemical equilibrium, acid-base equilibrium with principle of acid and base and amino acid, solubility and precipitation equilibrium with equilibrium of solubility, complex ion and solubility, electrochemistry on oxidation-reduction reaction, battery and fuel cell, decay and electrolysis, chemical reaction speed and nuclear reaction with Michaelis-Menten mechanism safety of nuclear, transition elements and coordination compound with introduction, name, structure and ligand EDTA and solid structure with categorization of solid and unit cell.

  1. Investigation on effect of equivalence ratio and engine speed on homogeneous charge compression ignition combustion using chemistry based CFD code

    Directory of Open Access Journals (Sweden)

    Ghafouri Jafar

    2014-01-01

    Full Text Available Combustion in a large-bore natural gas fuelled diesel engine operating under Homogeneous Charge Compression Ignition mode at various operating conditions is investigated in the present paper. Computational Fluid Dynamics model with integrated chemistry solver is utilized and methane is used as surrogate of natural gas fuel. Detailed chemical kinetics mechanism is used for simulation of methane combustion. The model results are validated using experimental data by Aceves, et al. (2000, conducted on the single cylinder Volvo TD100 engine operating at Homogeneous Charge Compression Ignition conditions. After verification of model predictions using in-cylinder pressure histories, the effect of varying equivalence ratio and engine speed on combustion parameters of the engine is studied. Results indicate that increasing engine speed provides shorter time for combustion at the same equivalence ratio such that at higher engine speeds, with constant equivalence ratio, combustion misfires. At lower engine speed, ignition delay is shortened and combustion advances. It was observed that increasing the equivalence ratio retards the combustion due to compressive heating effect in one of the test cases at lower initial pressure. Peak pressure magnitude is increased at higher equivalence ratios due to higher energy input.

  2. Revealing the relationships between chemistry, topology and stiffness of ultrastrong Co-based metallic glass thin films: A combinatorial approach

    International Nuclear Information System (INIS)

    Schnabel, Volker; Köhler, Mathias; Evertz, Simon; Gamcova, Jana; Bednarcik, Jozef; Music, Denis; Raabe, Dierk; Schneider, Jochen M.

    2016-01-01

    An efficient way to study the relationship between chemical composition and mechanical properties of thin films is to utilize the combinatorial approach, where spatially resolved mechanical property measurements are conducted along a concentration gradient. However, for thin film glasses many properties including the mechanical response are affected by chemical topology. Here a novel method is introduced which enables spatially resolved short range order analysis along concentration gradients of combinatorially synthesized metallic glass thin films. For this purpose a CoZrTaB metallic glass film of 3 μm thickness is deposited on a polyimide foil, which is investigated by high energy X-ray diffraction in transmission mode. Through the correlative chemistry-topology-stiffness investigation, we observe that an increase in metalloid concentration from 26.4 to 32.7 at% and the associated formation of localized (hybridized) metal – metalloid bonds induce a 10% increase in stiffness. Concomitantly, along the same composition gradient, a metalloid-concentration-induced increase in first order metal - metal bond distances of 1% is observed, which infers itinerant (metallic) bond weakening. Hence, the metalloid concentration induced increase in hybridized bonding dominates the corresponding weakening of metallic bonds.

  3. Discovery and development of anticancer agents from marine sponges: perspectives based on a chemistry-experimental therapeutics collaborative program.

    Science.gov (United States)

    Valeriote, Frederick A; Tenney, Karen; Media, Joseph; Pietraszkiewicz, Halina; Edelstein, Matthew; Johnson, Tyler A; Amagata, Taro; Crews, Phillip

    2012-01-01

    A collaborative program was initiated in 1990 between the natural product chemistry laboratory of Dr. Phillip Crews at the University of California Santa Cruz and the experimental therapeutics laboratory of Dr. Fred Valeriote at the Henry Ford Hospital in Detroit. The program focused on the discovery and development of anticancer drugs from sponge extracts. A novel in vitro disk diffusion, solid tumor selective assay was used to examine 2,036 extracts from 683 individual sponges. The bioassay-directed fractionation discovery component led to the identification of active pure compounds from many of these sponges. In most cases, pure compound was prepared in sufficient quantities to both chemically identify the active compound(s) as well as pursue one or more of the biological development components. The latter included IC50, clonogenic survival-concentration exposure, maximum tolerated dose, pharmacokinetics and therapeutic assessment studies. Solid tumor selective compounds included fascaplysin and 10-bromofascaplysin (Fascaplysinopsis), neoamphimedine, 5-methoxyneoamphimedine and alpkinidine (Xestospongia), makaluvamine C and makaluvamine H (Zyzzya), psymberin (Psammocinia and Ircinia), and ethylplakortide Z and ethyldidehydroplakortide Z (Plakortis). These compounds or analogs thereof continue to have therapeutic potential.

  4. 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.

  5. Modeling Plasma-based CO2 and CH4 Conversion in Mixtures with N2, O2 and H2O: the Bigger Plasma Chemistry Picture

    KAUST Repository

    Wang, Weizong

    2018-01-18

    Due to the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion have become major research areas. Many investigations have already been performed regarding the single component gases, i.e. CO2 splitting and CH4 reforming, as well as for two component mixtures, i.e. dry reforming of methane (CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps towards the influence of N2 impurities have been taken, i.e. CO2/N2 and CH4/N2. In this feature article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far, and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2 and H2O, to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes, as well as for investigating the influence of N2, O2 and H2O on these processes, and even to support plasma-based multi-reforming processes.

  6. Coordination Chemistry of Life Processes: Bioinorganic Chemistry

    Indian Academy of Sciences (India)

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

  7. High school chemistry students' learning of the elements, structure, and periodicity of the periodic table: Contributions of inquiry-based activities and exemplary graphics

    Science.gov (United States)

    Roddy, Knight Phares, Jr.

    The main research question of this study was: How do selected high school chemistry students' understandings of the elements, structure, and periodicity of the Periodic Table change as they participate in a unit study consisting of inquiry-based activities emphasizing construction of innovative science graphics? The research question was answered using a multiple case study/mixed model design which employed elements of both qualitative and quantitative methodologies during data collection and analyses. The unit study was conducted over a six-week period with 11th -grade students enrolled in a chemistry class. A purposive sample of six students from the class was selected to participate in interviews and concept map coconstruction (Wandersee & Abrams, 1993) periodically across the study. The progress of the selected students of the case study was compared to the progress of the class as a whole. The students of the case study were also compared to a group of high school chemistry students at a comparative school. The results show that the students from both schools left traditional instruction on the periodic table (lecture and textbook activities) with a very limited understanding of the topic. It also revealed that the inquiry-based, visual approach of the unit study helped students make significant conceptual progress in their understanding of the periodic table. The pictorial periodic table (which features photographs of the elements), used in conjunction with the graphic technique of data mapping, enhanced students understanding of the patterns of the physical properties of the elements on the periodic table. The graphic technique of compound mapping helped students learn reactivity patterns between types and groups of elements on the periodic table. The recreation of the periodic table with element cards created from the pictorial periodic table helped students progress in their understanding of periodicity and its key concepts. The Periodic Table Literacy

  8. Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.

    Science.gov (United States)

    Helal, Christopher J; Arnold, Eric P; Boyden, Tracey L; Chang, Cheng; Chappie, Thomas A; Fennell, Kimberly F; Forman, Michael D; Hajos, Mihaly; Harms, John F; Hoffman, William E; Humphrey, John M; Kang, Zhijun; Kleiman, Robin J; Kormos, Bethany L; Lee, Che-Wah; Lu, Jiemin; Maklad, Noha; McDowell, Laura; Mente, Scot; O'Connor, Rebecca E; Pandit, Jayvardhan; Piotrowski, Mary; Schmidt, Anne W; Schmidt, Christopher J; Ueno, Hirokazu; Verhoest, Patrick R; Yang, Edward X

    2017-07-13

    Phosphodiesterase 2A (PDE2A) inhibitors have been reported to demonstrate in vivo activity in preclinical models of cognition. To more fully explore the biology of PDE2A inhibition, we sought to identify potent PDE2A inhibitors with improved brain penetration as compared to current literature compounds. Applying estimated human dose calculations while simultaneously leveraging synthetically enabled chemistry and structure-based drug design has resulted in a highly potent, selective, brain penetrant compound 71 (PF-05085727) that effects in vivo biochemical changes commensurate with PDE2A inhibition along with behavioral and electrophysiological reversal of the effects of NMDA antagonists in rodents. This data supports the ability of PDE2A inhibitors to potentiate NMDA signaling and their further development for clinical cognition indications.

  9. Harmonising Adult and Paediatric Reference Intervals in Australia and New Zealand: An Evidence-Based Approach for Establishing a First Panel of Chemistry Analytes

    Science.gov (United States)

    Tate, Jillian R; Sikaris, Ken A; Jones, Graham RD; Yen, Tina; Koerbin, Gus; Ryan, Julie; Reed, Maxine; Gill, Janice; Koumantakis, George; Hickman, Peter; Graham, Peter

    2014-01-01

    Scientific evidence supports the use of common reference intervals (RIs) for many general chemistry analytes, in particular those with sound calibration and traceability in place. Already the Nordic countries and United Kingdom have largely achieved harmonised RIs. Following a series of workshops organised by the Australasian Association of Clinical Biochemists (AACB) between 2012 and 2014 at which an evidence-based approach for determination of common intervals was developed, pathology organisations in Australia and New Zealand have reached a scientific consensus on what adult and paediatric intervals we should use across Australasia. The aim of this report is to describe the processes that the AACB and the Royal College of Pathologists of Australasia have taken towards recommending the implementation of a first panel of common RIs for use in Australasia. PMID:25678727

  10. Assessment of engine cycle performances with synthes gas fuel addition based on determining coefficients in chemistry kinetics law through treatment of combustion speed

    OpenAIRE

    Gorbunov, A. V.; Viarshyna, H. A.; Pilatau, A.Y.; Baranov, V. Y.; Nozhenko, O. S.; Kaptug, A. Y.

    2013-01-01

    Assessment of engine cycle performances with synthes gas fuel addition based on determining coefficients in chemistry kinetics law through treatment of combustion speed / A. V. Gorbunov [et al.] // Наука – образованию, производству, экономике : материалы 11-й Международной научно-технической конференции. Т. 2. - Минск : БНТУ, 2013. - С. 58.

  11. Advanced Chemistry Laboratory

    Data.gov (United States)

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

  12. 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.

  13. Organometallic Chemistry of Molybdenum.

    Science.gov (United States)

    Lucas, C. Robert; Walsh, Kelly A.

    1987-01-01

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

  14. Preparative radiation chemistry

    International Nuclear Information System (INIS)

    Drawe, H.

    1978-01-01

    Preparative synthesis of compounds with the aid of radiation chemistry is increasingly used in laboratories as well as on a technical scale. A large number of new compounds has been produced with the methods of radiation chemistry. With the increasing number of available radiation sources, also the number of synthesis metods in radiation chemistry has increased. This paper can only briefly mention the many possible ways of synthesis in radiation chemistry. (orig./HK) [de

  15. Organic chemistry experiment

    International Nuclear Information System (INIS)

    Mun, Seok Sik

    2005-02-01

    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.

  16. Chemistry is Evergreen

    Indian Academy of Sciences (India)

    Srimath

    Chemistry is Evergreen. 2008 Nobel Prize in Chemistry. Swagata Dasgupta. Swagata Dasgupta is an. Associate Professor in the. Department of Chemistry at IIT Kharagpur. Her research interests revolve around proteins and their interactions. 1 GFP was declared the mol- ecule of the month by the Pro- tein Data Bank (PDB) ...

  17. Chemistry of interstellar space

    International Nuclear Information System (INIS)

    Gammon, R.H.

    1978-01-01

    Descriptions of the sun and other stars, energy sources in the interstellar clouds, spectroscopy and excitation, the chemistry and chemical abundance of interstellar elements, recent developments in interstellar molecular spectroscopy for a deeper insight into star evolution and other dynamics of the galaxy, and the next ten years of interstellar chemistry are described in an overall picture of the chemistry of interstellar space

  18. Analytical chemistry instrumentation

    International Nuclear Information System (INIS)

    Laing, W.R.

    1986-01-01

    Separate abstracts were prepared for 48 papers in these conference proceedings. The topics covered include: analytical chemistry and the environment; environmental radiochemistry; automated instrumentation; advances in analytical mass spectrometry; Fourier transform spectroscopy; analytical chemistry of plutonium; nuclear analytical chemistry; chemometrics; and nuclear fuel technology

  19. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Majer, V.

    1982-01-01

    The author of the book has had 25 years of experience at the Nuclear Chemistry of Prague Technical University. In consequence, the book is intended as a basic textbook for students of this field. Its main objectives are an easily understandable presentation of the complex subject and in spite of the uncertainty which still characterizes the definition and subjects of nuclear chemistry - a systematic classification and logical structure. Contents: 1. Introduction (history and definition); 2. General nuclear chemistry (physical fundamentals, hot atom chemistry, interaction of nuclear radiation with matter, radioactive elements, isotope effects, isotope exchange, chemistry of radioactive trace elements); 3. Methods of nuclear chemistry of nuclear chemistry (radiochemical methods, activation, separation and enrichment chemistry); 4. Preparative nuclear chemistry (isotope production, labelled compounds); 5. Analytival nuclear chemistry; 6. Applied nuclear chemistry (isotope applications in general physical and analytical chemistry). The book is supplemented by an annex with tables, a name catalogue and a subject index which will facilitate access to important information. (RB) [de

  20. Analytical chemistry instrumentation

    International Nuclear Information System (INIS)

    Laing, W.R.

    1986-01-01

    In nine sections, 48 chapters cover 1) analytical chemistry and the environment 2) environmental radiochemistry 3) automated instrumentation 4) advances in analytical mass spectrometry 5) fourier transform spectroscopy 6) analytical chemistry of plutonium 7) nuclear analytical chemistry 8) chemometrics and 9) nuclear fuel technology

  1. 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)

  2. 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.

  3. Relation between water chemistry and operational safety

    International Nuclear Information System (INIS)

    Oliveira, M.F. de.

    1991-01-01

    This report describes the relation between chemistry/radiochemistry and operational safety, the technics bases for chemical and radiochemical parameters and an analysis of the Annual Report of Angra I Operation and OSRAT Mission report to 1989 in this area too. Furthermore it contains the transcription of the technical Specifications related to the chemistry and radiochemistry for Angra I. (author)

  4. Wilhelm Ostwald, the Father of Physical Chemistry

    Indian Academy of Sciences (India)

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

  5. 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.

  6. 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

  7. Characterizing Teaching Assistants' Knowledge and Beliefs Following Professional Development Activities within an Inquiry-Based General Chemistry Context

    Science.gov (United States)

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

    2017-01-01

    The purpose of this investigation was to explore changes in undergraduate and graduate teaching assistants' (TAs') content knowledge and beliefs about teaching within the context of an inquiry-based laboratory course. TAs received professional development (PD), which was informed by the TA training literature base and was designed for TAs…

  8. 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

  9. Fundamentals of reactor chemistry

    International Nuclear Information System (INIS)

    Akatsu, Eiko

    1981-12-01

    In the Nuclear Engineering School of JAERI, many courses are presented for the people working in and around the nuclear reactors. The curricula of the courses contain also the subject material of chemistry. With reference to the foreign curricula, a plan of educational subject material of chemistry in the Nuclear Engineering School of JAERI was considered, and the fundamental part of reactor chemistry was reviewed in this report. Since the students of the Nuclear Engineering School are not chemists, the knowledge necessary in and around the nuclear reactors was emphasized in order to familiarize the students with the reactor chemistry. The teaching experience of the fundamentals of reactor chemistry is also given. (author)

  10. Modern Trends in Inorganic Chemistry

    Indian Academy of Sciences (India)

    Unknown

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

  11. The chemistry of plutonium revealed

    International Nuclear Information System (INIS)

    Connick, R.E.

    1990-01-01

    In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. Important insights were obtained from tracer experiments, but the full complexity of plutonium chemistry was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were aqueous solution based, 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, it was found that 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 will be reported

  12. 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…

  13. Closing the Gap between Beliefs and Practice: Change of Pre-Service Chemistry Teachers' Orientations during a PCK-Based NOS Course

    Science.gov (United States)

    Demirdögen, Betül; Uzuntiryaki-Kondakçi, Esen

    2016-01-01

    The purpose of this case study was to investigate how pre-service chemistry teachers' science teaching orientations change during a two-semester intervention designed to enhance their pedagogical content knowledge (PCK) for teaching the nature of science (NOS). Moreover, the way that pre-service chemistry teachers translated their change in…

  14. 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.

  15. Annual report 1984 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1985-03-01

    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. Annual report 1985 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1986-03-01

    This report contains a brief survey of the main activities in the Chemistry Department. All particles and reports published and lectures given in 1985 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)

  17. 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....

  18. The New Color of Chemistry: Green Chemistry

    OpenAIRE

    Zuhal GERÇEK

    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...

  19. Nuclear chemistry in the traditional chemistry program

    International Nuclear Information System (INIS)

    Kleppinger, E.W.

    1993-01-01

    The traditional undergraduate program for chemistry majors, especially at institutions devoted solely to undergraduate education, has limited space for 'special topics' courses in areas such as nuclear and radiochemistry. A scheme is proposed whereby the basic topics covered in an introductury radiochemistry course are touched upon, and in some cases covered in detail, at some time during the four-year sequence of courses taken by a chemistry major. (author) 6 refs.; 7 tabs

  20. Natural products in parallel chemistry--novel 5-lipoxygenase inhibitors from BIOS-based libraries starting from alpha-santonin.

    Science.gov (United States)

    Schwarz, Oliver; Jakupovic, Sven; Ambrosi, Horst-Dieter; Haustedt, Lars Ole; Mang, Christian; Müller-Kuhrt, Lutz

    2007-01-01

    Recently, we developed a concept known as biology-oriented synthesis (BIOS), which targets the design and synthesis of small- to medium-sized compound libraries on the basis of genuine natural product templates to provide screening compounds with high biological relevance. We herein describe the parallel solution phase synthesis of two BIOS-based libraries starting from alpha-santonin (1). Modification of the sesquiterpene lactone 1 by introduction of a thiazole moiety followed by a Lewis-acid-mediated lactone opening yielded a first library of natural product analogues. An acid-mediated dienone-phenol rearrangement of 1 and a subsequent etherification/amidation sequence led to a second natural product-based library. After application of a fingerprint-based virtual screening on these compounds, the biological screening of 23 selected library members against 5-lipoxygenase resulted in the discovery of four potent novel inhibitors of this enzyme.

  1. Analog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistry

    Science.gov (United States)

    Dimova, Dilyana; Stumpfe, Dagmar; Hu, Ye; Bajorath, Jürgen

    2016-01-01

    Aim: Computational design of and systematic search for a new type of molecular scaffolds termed analog series-based scaffolds. Materials & methods: From currently available bioactive compounds, analog series were systematically extracted, key compounds identified and new scaffolds isolated from them. Results: Using our computational approach, more than 12,000 scaffolds were extracted from bioactive compounds. Conclusion: A new scaffold definition is introduced and a computational methodology developed to systematically identify such scaffolds, yielding a large freely available scaffold knowledge base. PMID:28116132

  2. Computational design of new molecular scaffolds for medicinal chemistry, part II: generalization of analog series-based scaffolds

    Science.gov (United States)

    Dimova, Dilyana; Stumpfe, Dagmar; Bajorath, Jürgen

    2018-01-01

    Aim: Extending and generalizing the computational concept of analog series-based (ASB) scaffolds. Materials & methods: Methodological modifications were introduced to further increase the coverage of analog series (ASs) and compounds by ASB scaffolds. From bioactive compounds, ASs were systematically extracted and second-generation ASB scaffolds isolated. Results: More than 20,000 second-generation ASB scaffolds with single or multiple substitution sites were extracted from active compounds, achieving more than 90% coverage of ASs. Conclusion: Generalization of the ASB scaffold approach has yielded a large knowledge base of scaffold-capturing compound series and target information. PMID:29379641

  3. 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)

    Hingorani, S.; Reddy, P.S.N.; Agarwala, B.V.

    1988-02-01

    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)

  4. 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…

  5. Identification of Weak Acids and Bases by Titration with Primary Standards. A Modern Version of an Old Analytical Chemistry Experiment.

    Science.gov (United States)

    Thompson, Robert Q.

    1988-01-01

    Describes a laboratory exercise in which acid dissociation constants and molecular weights are extracted from sample data and the sample is identified. Emphasizes accurate volumetric work while bringing to practice the concepts of acid-base equilibria, activity coefficients, and thermodynamic constants. (CW)

  6. Problem-Based Approach to Teaching Advanced Chemistry Laboratories and Developing Students' Critical Thinking Skills

    Science.gov (United States)

    Quattrucci, Joseph G.

    2018-01-01

    A new method for teaching advanced laboratories at the undergraduate level is presented. The intent of this approach is to get students more engaged in the lab experience and apply critical thinking skills to solve problems. The structure of the lab is problem-based and provides students with a research-like experience. Students read the current…

  7. New developments in porphyrin-like macrocyclic chemistry: a novel family of dibenzotetraaza[14]annulene-based cofacial dimers.

    Science.gov (United States)

    Zwoliński, K M; Eilmes, J

    2016-03-14

    The first known homoleptic cofacial dimers, based on covalently linked dibenzotetraaza[14]annulenes, were synthesized in reasonable 35-40% yields, without recourse to high-dilution techniques. Dinuclear zinc(ii) dimer showed strong binding affinity toward DABCO. Site-selective monometallation of the dimer, triggered by the linkers' structure, was observed, allowing access to heterobimetallic co-receptors.

  8. Students Using a Novel Web-Based Laboratory Class Support System: A Case Study in Food Chemistry Education

    NARCIS (Netherlands)

    Kolk, van der J.; Beldman, G.; Hartog, R.; Gruppen, H.

    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

  9. Antiparallel Dynamic Covalent Chemistries.

    Science.gov (United States)

    Matysiak, Bartosz M; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G; Liu, Bin; Komáromy, Dávid; Otto, Sijbren

    2017-05-17

    The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we introduce the concept of antiparallel chemistries, in which the same functional group can be channeled into one of two reversible chemistries depending on a controllable parameter. Such systems allow both for achieving complexity, by combinatorial chemistry, and addressing it, by switching from one chemistry to another by controlling an external parameter. In our design the two antiparallel chemistries are thiol-disulfide exchange and thio-Michael addition, sharing the thiol as the common building block. By means of oxidation and reduction the system can be reversibly switched from predominantly thio-Michael chemistry to predominantly disulfide chemistry, as well as to any intermediate state. Both chemistries operate in water, at room temperature, and at mildly basic pH, which makes them a suitable platform for further development of systems chemistry.

  10. 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.

  11. Electrochemical detection of celiac disease-related anti-tissue transglutaminase antibodies using thiol based surface chemistry.

    Science.gov (United States)

    Dulay, Samuel; Lozano-Sánchez, Pablo; Iwuoha, Emmanuel; Katakis, Ioanis; O'Sullivan, Ciara K

    2011-05-15

    Celiac disease is an autoimmune disorder that affects the gastrointestinal tract upon ingestion of gluten, which triggers the production of antibodies against gliadin and tissue transglutaminase, activating an inflammatory response and inducing tissue damage in the small intestine resulting in malabsorption. The measurement of these antibodies in an individual's blood can be used to screen for celiac disease and the criteria for definitive diagnosis is currently being revised to be based on serological analysis rather than biopsy. In the work reported here, an electrochemical immunosensor for the detection of human anti-tissue transglutaminase antibodies was developed, consisting of gold-based self-assembled monolayers of a carboxylic group terminated bipodal alkanethiol that is covalently linked to tissue transglutaminase, the antigen for the immunorecognition of circulating autoantibodies. The presence of the autoantibodies was recorded using horseradish peroxidase labeled anti-human antibodies, which provided an enzyme based electrochemical signal. Optimization and characterization of the surface of the sensor was carried out by electrochemical impedance spectroscopy and surface plasmon resonance. The immunosensor gave a stable quantitative response to different antibody concentrations after 30 min with a limit of detection of 390 ng/mL and an RSD of 9%, n=3. The developed immunosensor was tested with calibrator solutions as well as with real patients' samples, and the results compared to those obtained from Eurospital's Eu-tTG IgA and IgG ELISA kits, showing an excellent degree of correlation. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Bibliographies on radiation chemistry

    International Nuclear Information System (INIS)

    This bibliography lists about 400 papers dealing solely with the production and reactivity of superoxide radical anions in irradiated aqueous and organic liquids. Only papers dealing with quantitative mechanistic, spectroscopic or kinetic data have been included. The listing was prepared by searching the RCDC bibliographic data base with SELECT keywords O 2 - or HO 2 and aqueous solution. The key words radicals (oxygen), peroxy radicals, pulse radiolysis, flash radiolysis, esr and gamma rays were also used. Additional relevant references were obtained from inspection of reviews, individual author indexes and cited references. The present bibliography excludes solid and gas phase studies, and also technical, government and in-house reports, theses, patents and some symposia proceedings. Several references prior to 1960 have been added, and the list should be reasonably comprehensive from 1965-1980. The listing is in chronological order, according to year of publication in the categories Photochemistry, Radiation Chemistry, Other, and Reviews. (author)

  13. Advances in analytical chemistry

    Science.gov (United States)

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

    1991-01-01

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

  14. Partners for Progress and Prosperity in the Global Chemistry Enterprise

    Science.gov (United States)

    In the past several years, there have been many changes facing the global chemistry enterprise. Whereas the overall chemistry enterprise appears to be strong and the chemical industry is still a major contributor to GDP, many chemistry-based products have been commoditized, and chemical employment h...

  15. Water chemistry and fuel performance

    International Nuclear Information System (INIS)

    Loner, H.; Blaser, W.; Zwicky, H.-U.

    1998-01-01

    A data base in water chemistry and fuel performance has been built up over 13 years of operation in the Leibstadt Nuclear Power Plant. Changes in the water chemistry are reflected in the data base. Measured crud build-up was compared with estimated values from mass calculations. Fuel cladding problems such as enhanced spacer shadow corrosion (ESSC) occurred after the last major change in the water chemistry. The affected fuel is SVEA-96 with Atoms LK2 type Zircaloy-2 as cladding material and Inconel 750 as spacer material. Changes in the fuel crud composition and different modifications at Zircaloy-2 on ESSC is shown. The water chemistry has now coordinated iron to zinc in the feed water which are thought to be the key parameters in the ESSC. However, cladding modifications (LK2 + ) may also contribute to an improvement. Recently the corrosion behaviour of fuel from different fuel suppliers is observed carefully. NPP Leibstadt will run fuel elements from three different suppliers in the following cycle. After a detailed surveillance program the most suitable fuel will be chosen

  16. Effect of Microstructure and Alloy Chemistry on Hydrogen Embrittlement of Precipitation-Hardened Ni-Based Alloys

    Science.gov (United States)

    Obasi, G. C.; Zhang, Z.; Sampath, D.; Morana, Roberto; Akid, R.; Preuss, M.

    2018-02-01

    The sensitivity to hydrogen embrittlement (HE) has been studied in respect of precipitation size distributions in two nickel-based superalloys: Alloy 718 (UNS N07718) and Alloy 945X (UNS N09946). Quantitative microstructure analysis was carried out by the combination of scanning and transmission electron microscopy and energy dispersive x-ray spectroscopy (EDS). While Alloy 718 is mainly strengthened by γ″, and therefore readily forms intergranular δ phase, Alloy 945X has been designed to avoid δ formation by reducing Nb levels providing high strength through a combination of γ' and γ″. Slow strain rate tensile tests were carried out for different microstructural conditions in air and after cathodic hydrogen (H) charging. HE sensitivity was determined based on loss of elongation due to the H uptake in comparison to elongation to failure in air. Results showed that both alloys exhibited an elevated sensitivity to HE. Fracture surfaces of the H precharged material showed quasi-cleavage and transgranular cracks in the H-affected region, while ductile failure was observed toward the center of the sample. The crack origins observed on the H precharged samples exhibited quasi-cleavage with slip traces at high magnification. The sensitivity is slightly reduced for Alloy 718, by coarsening γ″ and reducing the overall strength of the alloy. However, on further coarsening of γ″, which promotes continuous decoration of grain boundaries with δ phase, the embrittlement index rose again indicating a change of hydrogen embrittlement mechanism from hydrogen-enhanced local plasticity (HELP) to hydrogen-enhanced decohesion embrittlement (HEDE). In contrast, Alloy 945X displayed a strong correlation between strength, based on precipitation size and embrittlement index, due to the absence of any significant formation of δ phase for the investigated microstructures. For the given test parameters, Alloy 945X did not display any reduced sensitivity to HE compared with

  17. Effect of Microstructure and Alloy Chemistry on Hydrogen Embrittlement of Precipitation-Hardened Ni-Based Alloys

    Science.gov (United States)

    Obasi, G. C.; Zhang, Z.; Sampath, D.; Morana, Roberto; Akid, R.; Preuss, M.

    2018-04-01

    The sensitivity to hydrogen embrittlement (HE) has been studied in respect of precipitation size distributions in two nickel-based superalloys: Alloy 718 (UNS N07718) and Alloy 945X (UNS N09946). Quantitative microstructure analysis was carried out by the combination of scanning and transmission electron microscopy and energy dispersive x-ray spectroscopy (EDS). While Alloy 718 is mainly strengthened by γ″, and therefore readily forms intergranular δ phase, Alloy 945X has been designed to avoid δ formation by reducing Nb levels providing high strength through a combination of γ' and γ″. Slow strain rate tensile tests were carried out for different microstructural conditions in air and after cathodic hydrogen (H) charging. HE sensitivity was determined based on loss of elongation due to the H uptake in comparison to elongation to failure in air. Results showed that both alloys exhibited an elevated sensitivity to HE. Fracture surfaces of the H precharged material showed quasi-cleavage and transgranular cracks in the H-affected region, while ductile failure was observed toward the center of the sample. The crack origins observed on the H precharged samples exhibited quasi-cleavage with slip traces at high magnification. The sensitivity is slightly reduced for Alloy 718, by coarsening γ″ and reducing the overall strength of the alloy. However, on further coarsening of γ″, which promotes continuous decoration of grain boundaries with δ phase, the embrittlement index rose again indicating a change of hydrogen embrittlement mechanism from hydrogen-enhanced local plasticity (HELP) to hydrogen-enhanced decohesion embrittlement (HEDE). In contrast, Alloy 945X displayed a strong correlation between strength, based on precipitation size and embrittlement index, due to the absence of any significant formation of δ phase for the investigated microstructures. For the given test parameters, Alloy 945X did not display any reduced sensitivity to HE compared with

  18. Nature and Magnitude of Aromatic Base Stacking in DNA and RNA: Quantum Chemistry, Molecular Mechanics, and Experiment

    Czech Academy of Sciences Publication Activity Database

    Šponer, Jiří; Šponer, Judit E.; Mládek, Arnošt; Jurečka, P.; Banáš, P.; Otyepka, M.

    2013-01-01

    Roč. 99, č. 12 (2013), s. 978-988 ISSN 0006-3525 R&D Projects: GA ČR(CZ) GAP208/12/1878; GA ČR(CZ) GAP208/11/1822; GA ČR(CZ) GBP305/12/G034; GA MŠk(CZ) ED1.1.00/02.0068 Grant - others:GA ČR(CZ) GPP301/11/P558 Program:GP Institutional support: RVO:68081707 Keywords : NUCLEIC-ACID BASES * DENSITY-FUNCTIONAL THEORY * POTENTIAL-ENERGY SURFACE Subject RIV: BO - Biophysics Impact factor: 2.288, year: 2013

  19. 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. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Polymer chemistry (revised edition)

    International Nuclear Information System (INIS)

    Kim, Jae Mum

    1987-02-01

    This book deals with polymer chemistry, which is divided into fourteen chapters. The contents of this book are development of polymer chemistry, conception of polymer, measurement of polymer chemistry, conception of polymer, measurement of polymer, molecule structure of polymer, thermal prosperities of solid polymer, basic theory of polymerization, radical polymerization, ion polymerization, radical polymerization, copolymerization, polymerization by step-reaction, polymer reaction, crown polymer and inorganic polymer on classification and process of creation such as polymeric sulfur and carbon fiber.

  1. 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

  2. Tc: chemistry and radiopharmaceuticals: a prospectus

    International Nuclear Information System (INIS)

    Tulip, T.H.

    1987-01-01

    The recent explosion in technetium chemistry evident in this symposium promises to continue unabated. As in the past, radiopharmaceutical applications will lead to new Tc chemistry. In this lecture the author will discuss those areas which appear most fertile based on chemical and radiopharmaceutical criteria. Among these will be new organometallic Tc chemistry (e.g., Tc(CNR) 6 cations), Tc complexes as metabolic tracers (e.g., Tc-analogs to FDG), and peptide-based Tc chelators (e.g., Tc-metallothionein)

  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. USSR Report, Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

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

  5. 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)

  6. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    1993-01-01

    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)

  7. Elements of environmental chemistry

    National Research Council Canada - National Science Library

    Hites, R. A; Raff, Jonathan D

    2012-01-01

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

  8. Green Chemistry Pedagogy

    Science.gov (United States)

    Kolopajlo, Larry

    2017-02-01

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

  9. Canopy Chemistry (OTTER)

    Data.gov (United States)

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

  10. Current developments in radiation chemistry

    International Nuclear Information System (INIS)

    Cooper, R.

    2000-01-01

    Full text: The theme of the 2000 Gordon Conference on Radiation Chemistry was 'diversity'. The range of topics covered was heralded by the opening presentations which went from the galactic to molecular biology, radiation chemistry and non thermal surface processes in the outer solar system to achievements and open challenges in DNA research. The rest of the conference reflected the extended usage of radiation chemistry -its processes and techniques - applied to a panorama of topics. The ability to generate either oxidising or reducing free radicals in known quantities has been the foundation stone on which all applications are based. In particular it is noticeable that biological systems have been attempted by an increasing number of workers, such as studies of biological ageing and also reactions of nitric oxide in biological environments. Electron transfer processes in proteins are straightforward applications of solvated electron chemistry even if the results are not straightforward in their interpretation. Other topics presented include, radiation chemical processes induced in: supercritical CO 2 , treatment of contaminated materials, 3-dimensional Fullerenes, zeolites and radiation catalysis. In material science, aspects of ions and excited states in polymers, conducting polymers, donor acceptor processes in photo curing, enhancement of photo-electron yields in doped silver halides- improvement of the photographic process, radiation chemistry in cages and bubbles are discussed. The fundamental aspects of radiation chemistry are not yet all worked out. Subpicosecond pulsed electron beam sources, some of them 'tabletop', are still being planned to probe the early events in radiation chemistry both in water and in organic solvents. There is still an interest in the chemistry produced by pre-solvated electrons and the processes induced by heavy ion radiolysis. The description of the relaxation of an irradiated system which contains uneven distributions of ions

  11. Electrochemical impedimetric sensor based on molecularly imprinted polymers/sol-gel chemistry for methidathion organophosphorous insecticide recognition.

    Science.gov (United States)

    Bakas, Idriss; Hayat, Akhtar; Piletsky, Sergey; Piletska, Elena; Chehimi, Mohamed M; Noguer, Thierry; Rouillon, Régis

    2014-12-01

    We report here a novel method to detect methidathion organophosphorous insecticides. The sensing platform was architected by the combination of molecularly imprinted polymers and sol-gel technique on inexpensive, portable and disposable screen printed carbon electrodes. Electrochemical impedimetric detection technique was employed to perform the label free detection of the target analyte on the designed MIP/sol-gel integrated platform. The selection of the target specific monomer by electrochemical impedimetric methods was consistent with the results obtained by the computational modelling method. The prepared electrochemical MIP/sol-gel based sensor exhibited a high recognition capability toward methidathion, as well as a broad linear range and a low detection limit under the optimized conditions. Satisfactory results were also obtained for the methidathion determination in waste water samples. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. TEM characterisation of stress corrosion cracks in nickel based alloys: effect of chromium content and chemistry of environment

    International Nuclear Information System (INIS)

    Delabrouille, F.

    2004-11-01

    Stress corrosion cracking (SCC) is a damaging mode of alloys used in pressurized water reactors, particularly of nickel based alloys constituting the vapour generator tubes. Cracks appear on both primary and secondary sides of the tubes, and more frequently in locations where the environment is not well defined. SCC sensitivity of nickel based alloys depends of their chromium content, which lead to the replacement of alloy 600 (15 % Cr) by alloy 690 (30 % Cr) but this phenomenon is not yet very well understood. The goal of this thesis is two fold: i) observe the effect of chromium content on corrosion and ii) characterize the effect of environment on the damaging process of GV tubes. For this purpose, one industrial tube and several synthetic alloys - with controlled chromium content - have been studied. Various characterisation techniques were used to study the corrosion products on the surface and within the SCC cracks: SIMS; TEM - FEG: thin foil preparation, HAADF, EELS, EDX. The effect of chromium content and surface preparation on the generalised corrosion was evidenced for synthetic alloys. Moreover, we observed the penetration of oxygen along triple junctions of grain boundaries few micrometers under the free surface. SCC tests show the positive effect of chromium for contents varying from 5 to 30 % wt. Plastic deformation induces a modification of the structure, and thus of the protective character, of the internal chromium rich oxide layer. SCC cracks which developed in different chemical environments were characterised by TEM. The oxides which are formed within the cracks are different from what is observed on the free surface, which reveals a modification of medium and electrochemical conditions in the crack. Finally we were able to evidence some structural characteristics of the corrosion products (in the cracks and on the surface) which turn to be a signature of the chemical environment. (author)

  13. Density functional theory in quantum chemistry

    CERN Document Server

    Tsuneda, Takao

    2014-01-01

    This book examines density functional theory based on the foundation of quantum chemistry. Unconventional in approach, it reviews basic concepts, then describes the physical meanings of state-of-the-art exchange-correlation functionals and their corrections.

  14. Magnetism of Nanographene-Based Microporous Carbon and Its Applications: Interplay of Edge Geometry and Chemistry Details in the Edge State

    Science.gov (United States)

    Enoki, Toshiaki; Kiguchi, Manabu

    2018-03-01

    This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. Nanographenes have important edge geometry dependence in their electronic structures. In armchair edges, electron wave interference works to contribute to energetic stability. Meanwhile, zigzag edges possess an edge-localized and spin-polarized nonbonding edge state, which causes electronic, magnetic, and chemical activities. In addition to the geometry dependence, the electronic structures are seriously affected by edge chemistry details. The edge chemistry dependence together with edge geometries on the electronic structures are discussed with samples of randomly networked nanographenes (microporous activated carbon fibers) in pristine state and under high-temperature annealing. In the pristine sample with the edges oxidized in ambient atmospheric conditions, the edge state, which is otherwise unstable, can be stabilized because of the charge transfer from nanographene to terminating oxygen. Nanographene, whose edges consist of a combination of magnetic zigzag edges and nonmagnetic armchair edges, is found to be ferrimagnetic with a nonzero net magnetic moment created under the interplay between a strong intrazigzag-edge ferromagnetic interaction and intermediate-strength interzigzag-edge antiferromagnetic-ferromagnetic interaction. At heat-treatment temperatures just below the fusion start (approximately 1500 K), the edge-terminating structure is changed from oxygen-containing groups to hydrogen in the nanographene network. Additionally, hydrogen-terminated zigzag edges, which are present as the majority and chemically unstable, play a triggering role in fusion above 1500 K. The fusion start brings about an insulator-to-metal transition at TI -M˜1500 K . Local fusions taking place percolatively between nanographenes work to expand the π -bond network, eventually resulting in the development of antiferromagnetic short-range order toward spin glass in the

  15. Polyhedral metallathiaborane chemistry: Synthesis and characterisation of metallathiaboranes based on the twelve-vertex icosahedral closo-{MSB10H10} unit, where M is Rh or Ir

    Czech Academy of Sciences Publication Activity Database

    Macías, R.; Thornton-Pett, M.; Holub, Josef; Spalding, T. R.; Faridoon, Y.; Štíbr, Bohumil; Kennedy, J.D.

    2008-01-01

    Roč. 693, č. 3 (2008), s. 435-445 ISSN 0022-328X R&D Projects: GA MŠk LC523 Grant - others:EPSRC(GB) J/56929; EPSRC(GB) L/49505; EPSRC(GB) R/61949 Institutional research plan: CEZ:AV0Z40320502 Keywords : metallathiaborane * polyhedral chemistry Subject RIV: CA - Inorganic Chemistry Impact factor: 1.866, year: 2008

  16. Validation of the Atmospheric Chemistry Experiment (ACE version 2.2 temperature using ground-based and space-borne measurements

    Directory of Open Access Journals (Sweden)

    R. J. Sica

    2008-01-01

    Full Text Available An ensemble of space-borne and ground-based instruments has been used to evaluate the quality of the version 2.2 temperature retrievals from the Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS. The agreement of ACE-FTS temperatures with other sensors is typically better than 2 K in the stratosphere and upper troposphere and 5 K in the lower mesosphere. There is evidence of a systematic high bias (roughly 3–6 K in the ACE-FTS temperatures in the mesosphere, and a possible systematic low bias (roughly 2 K in ACE-FTS temperatures near 23 km. Some ACE-FTS temperature profiles exhibit unphysical oscillations, a problem fixed in preliminary comparisons with temperatures derived using the next version of the ACE-FTS retrieval software. Though these relatively large oscillations in temperature can be on the order of 10 K in the mesosphere, retrieved volume mixing ratio profiles typically vary by less than a percent or so. Statistical comparisons suggest these oscillations occur in about 10% of the retrieved profiles. Analysis from a set of coincident lidar measurements suggests that the random error in ACE-FTS version 2.2 temperatures has a lower limit of about ±2 K.

  17. Relationship between structural features and water chemistry in boreal headwater streams--evaluation based on results from two water management survey tools suggested for Swedish forestry.

    Science.gov (United States)

    Lestander, Ragna; Löfgren, Stefan; Henrikson, Lennart; Ågren, Anneli M

    2015-04-01

    Forestry may cause adverse impacts on water quality, and the forestry planning process is a key factor for the outcome of forest operation effects on stream water. To optimise environmental considerations and to identify actions needed to improve or maintain the stream biodiversity, two silvicultural water management tools, BIS+ (biodiversity, impact, sensitivity and added values) and Blue targeting, have been developed. In this study, we evaluate the links between survey variables, based on BIS+ and Blue targeting data, and water chemistry in 173 randomly selected headwater streams in the hemiboreal zone. While BIS+ and Blue targeting cannot replace more sophisticated monitoring methods necessary for classifying water quality in streams according to the EU Water Framework Directive (WFD, 2000/60/EC), our results lend support to the idea that the BIS+ protocol can be used to prioritise the protection of riparian forests. The relationship between BIS+ and water quality indicators (concentrations of nutrients and organic matter) together with data from fish studies suggests that this field protocol can be used to give reaches with higher biodiversity and conservation values a better protection. The tools indicate an ability to mitigate forestry impacts on water quality if the operations are adjusted to this knowledge in located areas.

  18. 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.

  19. Soft Cysteine Signaling Network: The Functional Significance of Cysteine in Protein Function and the Soft Acids/Bases Thiol Chemistry That Facilitates Cysteine Modification.

    Science.gov (United States)

    Wible, Ryan S; Sutter, Thomas R

    2017-03-20

    The unique biophysical and electronic properties of cysteine make this molecule one of the most biologically critical amino acids in the proteome. The defining sulfur atom in cysteine is much larger than the oxygen and nitrogen atoms more commonly found in the other amino acids. As a result of its size, the valence electrons of sulfur are highly polarizable. Unique protein microenvironments favor the polarization of sulfur, thus increasing the overt reactivity of cysteine. Here, we provide a brief overview of the endogenous generation of reactive oxygen and electrophilic species and specific examples of enzymes and transcription factors in which the oxidation or covalent modification of cysteine in those proteins modulates their function. The perspective concludes with a discussion of cysteine chemistry and biophysics, the hard and soft acids and bases model, and the proposal of the Soft Cysteine Signaling Network: a hypothesis proposing the existence of a complex signaling network governed by layered chemical reactivity and cross-talk in which the chemical modification of reactive cysteine in biological networks triggers the reorganization of intracellular biochemistry to mitigate spikes in endogenous or exogenous oxidative or electrophilic stress.

  20. 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.

  1. A simple simultaneous flow injection method based on phosphomolybdenum chemistry for nitrate and nitrite determinations in water and fish samples.

    Science.gov (United States)

    Monser, L; Sadok, S; Greenway, G M; Shah, I; Uglow, R F

    2002-05-24

    A direct spectrophotometric flow injection method for the simultaneous determination of nitrite and nitrate has been developed. The method is based on the oxidation of a phosphomolybdenum blue complex by the addition of nitrite and the decrease in absorbance of the blue complex is monitored at 820 nm. The injected sample is split into two segments. One of the streams was directly reacted with the above reagent and detected as nitrite. The other stream was passed through a copperised cadmium reductor column where reduction of nitrate to nitrite occurs, and the sample was then mixed with the reagent and passed through the cell of the spectrophotometer to be detected as nitrite plus nitrate. The conditions for the flow injection manifold parameters were optimised by experimental design and the concentration of nitrite and nitrate was determined in the linear range from 0.05 to 1.15 mug ml(-1) nitrite and 0.06 to 1.6 mug ml(-1) nitrate with a detection limit of 0.01 mug ml(-1) for nitrite and 0.025 mug ml(-1) for nitrate. The method is suitable for the simultaneous determination of nitrite and nitrate in fish and water samples with a sampling rate of 25+/-2 sample per hour.

  2. Synthesis of sericin-based conjugates by click chemistry: enhancement of sunitinib bioavailability and cell membrane permeation.

    Science.gov (United States)

    Scrivano, Luca; Iacopetta, Domenico; Sinicropi, Maria Stefania; Saturnino, Carmela; Longo, Pasquale; Parisi, Ortensia Ilaria; Puoci, Francesco

    2017-11-01

    Sericin is a natural protein that has been used in biomedical and pharmaceutical fields as raw material for polypeptide-based drug delivery systems (DDSs). In this paper, it has been employed as pharmaceutical biopolymer for the production of sunitinib-polypeptide conjugate. The synthesis has been carried out by simple click reaction in water, using the redox couple l-ascorbic acid/hydrogen peroxide as a free radical grafting initiator. The bioconjugate molecular weight (50 kDa < Mw < 75 kDa) was obtained by SDS-PAGE, while the spectroscopic characteristics have been studied in order to reveal the presence of grafted sunitinib. In both FT-IR and UV/Vis spectra, signals corresponding to sunitinib functional groups have been identified. Since sunitinib is an anticancer drug characterized by low bioavailability and low permeability, the bioconjugation aimed at their enhancement. In vitro studies demonstrated that bioavailability has been increased to almost 74%, compared with commercial formulation. Also cell membrane permeability has been augmented in in vitro tests, in which membrane models have been used to determine the lipid membrane/physiological fluid partition coefficient (Kp). The log(Kp) value of the bioconjugate was increased to over 4. This effect resulted in a three-fold decrease of IC 50 value against MCF-7 cells.

  3. Synthesis and characterization of a biocompatible chitosan-based hydrogel cross-linked via 'click' chemistry for controlled drug release.

    Science.gov (United States)

    Guaresti, O; García-Astrain, C; Palomares, T; Alonso-Varona, A; Eceiza, A; Gabilondo, N

    2017-09-01

    A chemically cross-linked chitosan-based hydrogel was successfully synthesized through Diels-Alder (DA) reaction and characterized. The final product was obtained after different steps; on the one hand, furan-modified chitosan (Cs-Fu) was synthesized by the reaction of furfural with the free amino groups of chitosan. On the other hand, highlighting the novelty of the present research, maleimide-functionalized chitosan (Cs-AMI) was prepared by the reaction of a maleimide-modified aminoacid with the amino groups of chitosan through amide coupling. The two complementary chitosan derivatives were cross-linked to the final hydrogel network. Both modification reactions were confirmed by FTIR and 1 H NMR, obtaining a degree of substitution (DS) of 31% and 26% for Cs-Fu and Cs-AMI, respectively. The as-designed hydrogel was analyzed in terms of microstructure, swelling capacity and rheological behaviour. The hydrogel showed pH-sensitivity, biocompatibility and inhibitory bacterial activity, promising features for biomedical applications, particularly for targeted-drug delivery. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Synthesis of Fluorinated Amphiphilic Block Copolymers Based on PEGMA, HEMA, and MMA via ATRP and CuAAC Click Chemistry

    Directory of Open Access Journals (Sweden)

    Fatime Eren Erol

    2014-01-01

    Full Text Available Synthesis of fluorinated amphiphilic block copolymers via atom transfer radical polymerization (ATRP and Cu(I catalyzed Huisgen 1,3-dipolar cycloaddition (CuAAC was demonstrated. First, a PEGMA and MMA based block copolymer carrying multiple side-chain acetylene moieties on the hydrophobic segment for postfunctionalization was carried out. This involves the synthesis of a series of P(HEMA-co-MMA random copolymers to be employed as macroinitiators in the controlled synthesis of P(HEMA-co-MMA-block-PPEGMA block copolymers by using ATRP, followed by a modification step on the hydroxyl side groups of HEMA via Steglich esterification to afford propargyl side-functional polymer, alkyne-P(HEMA-co-MMA-block-PPEGMA. Finally, click coupling between side-chain acetylene functionalities and 2,3,4,5,6-pentafluorobenzyl azide yielded fluorinated amphiphilic block copolymers. The obtained polymers were structurally characterized by 1H-NMR, 19F-NMR, FT-IR, and GPC. Their thermal characterizations were performed using DSC and TGA.

  5. Studies on coordination chemistry and bioactivity of complexes of a tridentate ONS Schiff base with some heavier transition metal ions

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Tan Mei Lin; Ali, A.M.

    2003-09-01

    A tridentate Schiff base, S-benzyl-β-N-(2-hydroxyphenyl)methylenedithiocarbazate, (HONSH), with a donor sequence of ONS, was synthesized from the condensation of S-benzyldithiocarbazate (SBDTC) with an equimolar amount of 2-hydroxybenzaldehyde in absolute ethanol. The reactions of HONSH with metal ions [La(III), Ce(IV) and Th(IV)] yielded complexes of compositions, [La(ONS)NO 3 .2H 2 O], [Ce(ONS)(NO 3 ) 2 ] and [Th(ONS) 2 ]. The ligands and the complexes were characterized from elemental analyses and spectroscopic measurements. The metal complexes were found to be active against colon cancer cell lines with the CD 50 values of 27.5, 28.4 and 19.3 μg/ml for the La(III), Ce(FV) and Th(IV) complexes, respectively. The La(IH) complex was found to be very active against leukemic cell lines with the CD 50 value of 6.8 μg/ml. (author)

  6. Science Academies' Refresher Course in Chemistry

    Indian Academy of Sciences (India)

    2017-10-25

    Oct 25, 2017 ... thetic Organic Chemistry, Asymmetric Synthesis, Stereochemistry, Pericyclic Reactions, Advance. Spectroscopy, Organomettalic Chemistry, Material Chemistry and Nanotechnology, X-Ray Crys- tallography, Molecular Spectroscopy and Quantum Chemistry, Medicinal Chemistry, Bio-inorganic. Chemistry.

  7. Synthesis of silicon-based infrared semiconductors in the Ge-Sn system using molecular chemistry methods.

    Science.gov (United States)

    Taraci, J; Zollner, S; McCartney, M R; Menendez, J; Santana-Aranda, M A; Smith, D J; Haaland, A; Tutukin, A V; Gundersen, G; Wolf, G; Kouvetakis, J

    2001-11-07

    Growth reactions based on a newly developed deuterium-stabilized Sn hydride [(Ph)SnD(3)] with Ge(2)H(6) produce a new family of Ge-Sn semiconductors with tunable band gaps and potential applications in high-speed, high-efficiency infrared optoelectronics. Metastable diamond-cubic films of Ge(1-x)Sn(x) alloys are created by chemical vapor deposition at 350 degrees C on Si(100). These exhibit unprecedented thermal stability and superior crystallinity despite the 17% lattice mismatch between the constituent materials. The composition, crystal structure, electronic structure, and optical properties of these materials are characterized by Rutherford backscattering, high-resolution electron microscopy, and X-ray diffraction, as well as Raman, IR, and spectroscopic ellipsometry. Electron diffraction reveals monocrystalline and perfectly epitaxial layers with lattice constants intermediate between those of Ge and alpha-Sn. X-ray diffraction in the theta-2theta mode shows well-defined peaks corresponding to random alloys, and in-plane rocking scans of the (004) reflection confirm a tightly aligned spread of the crystal mosaics. RBS ion-channeling including angular scans confirm that Sn occupies substitutional lattice sites and also provide evidence of local ordering of the elements with increasing Sn concentration. The Raman spectra show bands corresponding to Ge-Ge and Sn-Ge vibrations with frequencies consistent with random tetrahedral alloys. Resonance Raman and ellipsometry spectra indicate a band-gap reduction relative to Ge. The IR transmission spectra suggest that the band gap decreases monotonically with increasing Sn fraction. The synthesis, characterization, and gas-phase electron diffraction structure of (Ph)SnD(3) are also reported.

  8. Analytical interference of HBOC-201 (Hemopure, a synthetic hemoglobin-based oxygen carrier) on four common clinical chemistry platforms.

    Science.gov (United States)

    Korte, Erik A; Pozzi, Nicole; Wardrip, Nina; Ayyoubi, M Tayyeb; Jortani, Saeed A

    2018-03-23

    There are 13 million blood transfusions each year in the US. Limitations in the donor pool, storage capabilities, mass casualties, access in remote locations and reactivity of donors all limit the availability of transfusable blood products to patients. HBOC-201 (Hemopure®) is a second-generation glutaraldehyde-polymer of bovine hemoglobin, which can serve as an "oxygen bridge" to maintain oxygen carrying capacity while transfusion products are unavailable. Hemopure presents the advantages of extended shelf life, ambient storage, and limited reactive potential, but its extracellular location can also cause significant interference in modern laboratory analyzers similar to severe hemolysis. Observed error in 26 commonly measured analytes was determined on 4 different analytical platforms in plasma from a patient therapeutically transfused Hemopure as well as donor blood spiked with Hemopure at a level equivalent to the therapeutic loading dose (10% v/v). Significant negative error ratios >50% of the total allowable error (>0.5tAE) were reported in 23/104 assays (22.1%), positive bias of >0.5tAE in 26/104 assays (25.0%), and acceptable bias between -0.5tAE and 0.5tAE error ratio was reported in 44/104 (42.3%). Analysis failed in the presence of Hemopure in 11/104 (10.6%). Observed error is further subdivided by platform, wavelength, dilution and reaction method. Administration of Hemopure (or other hemoglobin-based oxygen carriers) presents a challenge to laboratorians tasked with analyzing patient specimens. We provide laboratorians with a reference to evaluate patient samples, select optimal analytical platforms for specific analytes, and predict possible bias beyond the 4 analytical platforms included in this study. Copyright © 2018. Published by Elsevier B.V.

  9. Annual report 1988 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

    1989-05-01

    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)

  10. Annual report 1989 Chemistry Department

    International Nuclear Information System (INIS)

    Funck, J.; Neve Larsen, Aa.; Larsen, E.; Nielsen, O.J.

    1990-03-01

    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)

  11. Annual report 1986 chemistry department

    International Nuclear Information System (INIS)

    Funck, J.; Larsen, E.; Nielsen, O.J.

    1987-03-01

    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)

  12. Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net

    KAUST Repository

    Chen, Zhijie

    2017-02-05

    Highly connected and edge-transitive nets are of prime importance in crystal chemistry and are regarded as ideal blueprints for the rational design and construction of metal-organic frameworks (MOFs). We report the design and synthesis of highly connected MOFs based on reticulation of the sole two edge-transitive nets with a vertex figure as double six-membered-ring (d6R) building unit, namely the (4,12)-coordinated shp net (square and hexagonal-prism) and the (6,12)-coordinated alb net (aluminum diboride, hexagonal-prism and trigonal-prism). Decidedly, the combination of our recently isolated 12-connected (12-c) rare-earth (RE) nonanuclear [RE(μ-OH)(μ-O)(OC-)] carboxylate-based cluster, points of extension matching the 12 vertices of hexagonal-prism d6R, with 4-connected (4-c) square porphyrinic tetracarboxylate ligand led to the formation of the targeted RE-shp-MOF. This is the first time that RE-MOFs based on 12-c molecular building blocks (MBBs), d6R building units, have been deliberately targeted and successfully isolated, paving the way for the long-awaited (6,12)-c MOF with alb topology. Indeed, combination of a custom-designed hexacarboxylate ligand with RE salts led to the formation of the first related alb-MOF, RE-alb-MOF. Intuitively, we successfully transplanted the alb topology to another chemical system and constructed the first indium-based alb-MOF, In-alb-MOF, by employing trinuclear [In(μ-O)(OC-)] as the requisite 6-connected trigonal-prism and purposely made a dodecacarboxylate ligand as a compatible 12-c MBB. Prominently, the dodecacarboxylate ligand was employed to transplant shp topology into copper-based MOFs by employing the copper paddlewheel [Cu(OC-)] as the complementary square building unit, affording the first Cu-shp-MOF. We revealed that highly connected edge-transitive nets such shp and alb are ideal for topological transplantation and deliberate construction of related MOFs based on minimal edge-transitive nets.

  13. 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

  14. The effect of polyanhydride chemistry in particle-based cancer vaccines on the magnitude of the anti-tumor immune response.

    Science.gov (United States)

    Wafa, Emad I; Geary, Sean M; Goodman, Jonathan T; Narasimhan, Balaji; Salem, Aliasger K

    2017-03-01

    The goal of this research was to study the effect of polyanhydride chemistry on the immune response induced by a prophylactic cancer vaccine based on biodegradable polyanhydride particles. To achieve this goal, different compositions of polyanhydride copolymers based on 1,8-bis-(p-carboxyphenoxy)-3,6-dioxaoctane (CPTEG), 1,6-bis-(p-carboxyphenoxy)-hexane (CPH), and sebacic anhydride (SA) were synthesized by melt polycondensation, and polyanhydride copolymer particles encapsulating a model antigen, ovalbumin (OVA), were then synthesized using a double emulsion solvent evaporation technique. The ability of three different compositions of polyanhydride copolymers (50:50 CPTEG:CPH, 20:80 CPTEG:CPH, and 20:80 CPH:SA) encapsulating OVA to elicit immune responses was investigated. In addition, the impact of unmethylated oligodeoxynucleotides containing deoxycytidyl-deoxyguanosine dinucleotides (CpG ODN), an immunological adjuvant, on the immune response was also studied. The immune response to cancer vaccines was measured after treatment of C57BL/6J mice with two subcutaneous injections, seven days apart, of 50μg OVA encapsulated in particles composed of different polyanhydride copolymers with or without 25μg CpG ODN. In vivo studies showed that 20:80 CPTEG:CPH particles encapsulating OVA significantly stimulated the highest level of CD8 + T lymphocytes, generated the highest serum titers of OVA-specific IgG antibodies, and provided longer protection against tumor challenge with an OVA-expressing thymoma cell line in comparison to formulations made from other polyanhydride copolymers. The results also revealed that vaccination with CpG ODN along with polyanhydride particles encapsulating OVA did not enhance the immunogenicity of OVA. These results accentuate the crucial role of the copolymer composition of polyanhydrides in stimulating the immune response and provide important insights on rationally designing efficacious cancer vaccines. Compared to soluble cancer

  15. Concept of Green Chemistry

    Indian Academy of Sciences (India)

    Srimath

    decades much work has been going on in this direction. The term. Green Chemistry was coined in 1991 by Anastas. ... She is currently working on electrochemical and insecticidal/antifungal activities for ..... less substances. Inherently Safer Chemistry for Accident Prevention: Design chemicals and their forms (solid, liquid, ...

  16. Chemistry is Evergreen

    Indian Academy of Sciences (India)

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

  17. Titanocene sulfide chemistry

    Czech Academy of Sciences Publication Activity Database

    Horáček, Michal

    2016-01-01

    Roč. 314, MAY 2016 (2016), s. 83-102 ISSN 0010-8545 R&D Projects: GA ČR(CZ) GAP207/12/2368 Institutional support: RVO:61388955 Keywords : titanocene sulfide chemistry * photolysis * titanocene hydrosulfides Ti-(SH)n Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 13.324, year: 2016

  18. Chemistry of Materials

    Indian Academy of Sciences (India)

    I am really glad to have this opportunity to write to you, specially about a subject in which I have worked for half a century. When I was your age, if somebody had told me that I would be working in chemistry of materials most of my life, I would not have believed it. At that time, chemistry of materials meant studying something.

  19. Chemistry: The Middle Kingdom

    Indian Academy of Sciences (India)

    2005-02-10

    Feb 10, 2005 ... ogy and economics on the other. It is said that chemistry is reducible into physics and .... nialism as economic doctrines and the importance given to the individual in relation to the group. Aristotle's holistic ... Pauling's essential contribution, the concept of the covalent bond, meant that chemistry did not need ...

  20. 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)