Sample records for activation chemistry

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

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

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

  2. Genus Pouteria: chemistry and biological activity

    Directory of Open Access Journals (Sweden)

    Cíntia A. M. Silva

    Full Text Available The genus Pouteria belongs to the family Sapotaceae and can be widely found around the World. These plants have been used as building material, as food, because the eatable fruits, as well as remedies in folk medicine. Some biological activities have been reported to species of this genus such as antioxidant, anti-inflammatory, antibacterial and antifungal. However, the real potential of this genus as source of new drugs or phytomedicines remains unknown. Therefore, a review of the so far known chemical composition and biological activities of this genus is presented to stimulate new studies about the species already reported moreover that species have no reference about chemistry or biological activities could be found until now.

  3. Tailoring the Oxygen Evolution Activity and Stability Using Defect Chemistry

    National Research Council Canada - National Science Library

    Julius Scholz; Marcel Risch; Garlef Wartner; Christoph Luderer; Vladimir Roddatis; Christian Jooss


    Improving the activity of catalysts for the oxygen evolution reaction (OER) requires a detailed understanding of the surface chemistry and structure to deduce structure-function relationships (descriptors...

  4. Active Learning Applications in the History of Chemistry: Pre-Service Chemistry Teachers' Level of Knowledge and Views (United States)

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


    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…

  5. The rise of environmental analytical chemistry as an interdisciplinary activity. (United States)

    Brown, Richard


    Modern scientific endeavour is increasingly delivered within an interdisciplinary framework. Analytical environmental chemistry is a long-standing example of an interdisciplinary approach to scientific research where value is added by the close cooperation of different disciplines. This editorial piece discusses the rise of environmental analytical chemistry as an interdisciplinary activity and outlines the scope of the Analytical Chemistry and the Environmental Chemistry domains of TheScientificWorldJOURNAL (TSWJ), and the appropriateness of TSWJ's domain format in covering interdisciplinary research. All contributions of new data, methods, case studies, and instrumentation, or new interpretations and developments of existing data, case studies, methods, and instrumentation, relating to analytical and/or environmental chemistry, to the Analytical and Environmental Chemistry domains, are welcome and will be considered equally.

  6. Improving Preservice Chemistry Teachers' Content Knowledge through Intervention Activities (United States)

    Wheeldon, Ruth


    The effect of intervention activities on the chemistry content knowledge of 92 preservice chemistry teachers (PSCT) was examined via a pre and post true/false with confidence level test focusing on ionisation energy values and the use of a common alternative conception (AC). Data were collected from three cohorts of PSCT each engaged in a one year…

  7. ict in teaching and learning chemistry activities on the ipad

    African Journals Online (AJOL)


    ABSTRACT. The purpose of this workshop is to equip chemistry educators with practical activities and logistical training to incorporate Information and Communication Technologies (ICT) into their chemistry curriculum. During this workshop, participants will gain hands-on experience using technology such as iPads and a ...

  8. Bioinorganic Life and Neural Activity: Toward a Chemistry of Consciousness? (United States)

    Chang, Christopher J


    Identifying what elements are required for neural activity as potential path toward consciousness, which represents life with the state or quality of awareness, is a "Holy Grail" of chemistry. As life itself arises from coordinated interactions between elements across the periodic table, the majority of which are metals, new approaches for analysis, binding, and control of these primary chemical entities can help enrich our understanding of inorganic chemistry in living systems in a context that is both universal and personal.

  9. Empowering Girls with Chemistry, Exercise and Physical Activity (United States)

    Clapham, Emily D.; Ciccomascolo, Lori E.; Clapham, Andrew J.


    Research suggests that a girl's career interests in the areas of science, technology, engineering and mathematics (STEM) declines between grades 6 and 8. Similarly, in middle school, there is a decrease in physical activity among girls. Researchers at the University of Rhode Island (URI) conducted a chemistry-based science camp that took place…

  10. Rhodiola plants: Chemistry and biological activity

    Directory of Open Access Journals (Sweden)

    Hsiu-Mei Chiang


    Full Text Available Rhodiola is a genus of medicinal plants that originated in Asia and Europe and are used traditionally as adaptogens, antidepressants, and anti-inflammatory remedies. Rhodiola plants are rich in polyphenols, and salidroside and tyrosol are the primary bioactive marker compounds in the standardized extracts of Rhodiola rosea. This review article summarizes the bioactivities, including adaptogenic, antifatigue, antidepressant, antioxidant, anti-inflammatory, antinoception, and anticancer activities, and the modulation of immune function of Rhodiola plants and its two constituents, as well as their potential to prevent cardiovascular, neuronal, liver, and skin disorders.

  11. Chemistry?!

    Indian Academy of Sciences (India)

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

  12. Indoor Chemistry: Materials, Ventilation Systems, and Occupant Activities

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, G.C.; Corsi, R.L.; Destaillats, H.; Nazaroff, W.W.; Wells, J.R.


    Chemical processes taking place in indoor environments can significantly alter the nature and concentrations of pollutants. Exposure to secondary contaminants generated in these reactions needs to be evaluated in association with many aspects of buildings to minimize their impact on occupant health and well-being. Focusing on indoor ozone chemistry, we describe alternatives for improving indoor air quality by controlling chemical changes related to building materials, ventilation systems, and occupant activities.

  13. Using active learning methodologies in physical chemistry in CLIL contexts

    Directory of Open Access Journals (Sweden)

    David Recatalá


    Full Text Available One of the main objectives of the European Higher Education Area (EHEA is to promote a change toward a student-centred education model. This fact has led to the implementation of novel methodologies based on active learning, aimed at engaging students’ interest. This implementation has been usually accompanied by significant changes in both the teaching and learning processes in European universities. Furthermore, teaching a subject through the medium of a foreign language has also been gaining attention over the past few years. More specifically, this approach commonly known as Content and Language Integrated Learning (CLIL has been employed for the simultaneous learning of content and English in a number of European countries. In this contribution we report on the active learning methods implemented in a Physical Chemistry course, as well as the efforts devoted to Content and English Language Integration in this subject. This research analyses a series of factors that can contribute to the global learning and teaching experience when both active learning and CLIL are implemented in the Physical Chemistry classroom. Some examples of them include changes in attitudes towards the subject, engagement and motivation during the course, perception of English learning, and in general, students’ satisfaction with the learning process.

  14. The synthesis of active pharmaceutical ingredients (APIs) using continuous flow chemistry

    National Research Council Canada - National Science Library

    Baumann, Marcus; Baxendale, Ian R


    .... This review article aims to illustrate the holistic systems approach and diverse applications of flow chemistry to the preparation of pharmaceutically active molecules, demonstrating the value...

  15. Activated Carbon Textile via Chemistry of Metal Extraction for Supercapacitors. (United States)

    Lam, Do Van; Jo, Kyungmin; Kim, Chang-Hyun; Kim, Jae-Hyun; Lee, Hak-Joo; Lee, Seung-Mo


    Carbothermic reduction in the chemistry of metal extraction (MO(s) + C(s) → M(s) + CO(g)) using carbon as a sacrificial agent has been used to smelt metals from diverse oxide ores since ancient times. Here, we paid attention to another aspect of the carbothermic reduction to prepare an activated carbon textile for high-rate-performance supercapacitors. On the basis of thermodynamic reducibility of metal oxides reported by Ellingham, we employed not carbon, but metal oxide as a sacrificial agent in order to prepare an activated carbon textile. We conformally coated ZnO on a bare cotton textile using atomic layer deposition, followed by pyrolysis at high temperature (C(s) + ZnO(s) → C'(s) + Zn(g) + CO(g)). We figured out that it leads to concurrent carbonization and activation in a chemical as well as mechanical way. Particularly, the combined effects of mechanical buckling and fracture that occurred between ZnO and cotton turned out to play an important role in carbonizing and activating the cotton textile, thereby significantly increasing surface area (nearly 10 times) compared with the cotton textile prepared without ZnO. The carbon textiles prepared by carbothermic reduction showed impressive combination properties of high power and energy densities (over 20-fold increase) together with high cyclic stability.

  16. Combustion chemistry - activities in the CHEK research programme

    Energy Technology Data Exchange (ETDEWEB)

    Dam-Johansen, K.; Johnsson, J.E.; Glarborg, P.; Frandsen, F.; Jensen, A.; Oestberg, M. [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemical Engineering


    The combustion chemistry in the oxidation of fossil fuels and biofuels determines together with mixing and heat transfer the required size of a furnace, the emission of gaseous pollutants, and the formation of ash and deposits on surfaces. This presentation describes technologies for solid fuels combustion and gives a summary of the fuels, the pollutant chemistry and the inorganic chemistry in combustion processes. Emphasis is put on the work carried out in the CHEC (Combustion and Harmful Emission Control) Research Programme. (orig.)

  17. Chemistry, biogenesis, and biological activities of Cinnamomum zeylanicum. (United States)

    Jayaprakasha, G K; Rao, L Jagan Mohan


    The genus Cinnamomum comprises of several hundreds of species, which are distributed in Asia and Australia. Cinnamomum zeylanicum, the source of cinnamon bark and leaf oils, is an indigenous tree of Sri Lanka, although most oil now comes from cultivated areas. C. zeylanicum is an important spice and aromatic crop having wide applications in flavoring, perfumery, beverages, and medicines. Volatile oils from different parts of cinnamon such as leaves, bark, fruits, root bark, flowers, and buds have been isolated by hydro distillation/steam distillation and supercritical fluid extraction. The chemical compositions of the volatile oils have been identified by GC and GC-MS. More than 80 compounds were identified from different parts of cinnamon. The leaf oil has a major component called eugenol. Cinnamaldehyde and camphor have been reported to be the major components of volatile oils from stem bark and root bark, respectively. Trans-cinnamyl acetate was found to be the major compound in fruits, flowers, and fruit stalks. These volatile oils were found to exhibit antioxidant, antimicrobial, and antidiabetic activities. C. zeylanicum bark and fruits were found to contain proanthocyandins with doubly linked bis-flavan-3-ol units in the molecule. The present review provides a coherent presentation of scattered literature on the chemistry, biogenesis, and biological activities of cinnamon.

  18. The Effect of Chemistry Laboratory Activities on Students' Chemistry Perception and Laboratory Anxiety Levels (United States)

    Aydogdu, Cemil


    Chemistry lesson should be supported with experiments to understand the lecture effectively. For safety laboratory environment and to prevent laboratory accidents; chemical substances' properties, working principles for chemical substances' usage should be learnt. Aim of the present study was to analyze the effect of experiments which depend on…

  19. Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Y. Wang


    ''Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry'' focuses on the potential for microbial communities that could be active in repository emplacement drifts to influence the in-drift bulk chemical environment. This report feeds analyses to support the inclusion or exclusion of features, events, and processes (FEPs) in the total system performance assessment (TSPA) for the license application (LA), but this work is not expected to generate direct feeds to the TSPA-LA. The purpose was specified by, and the evaluation was performed and is documented in accordance with, ''Technical Work Plan For: Near-Field Environment and Transport In-Drift Geochemistry Analyses'' (BSC 2004 [DIRS 172402], Section 2.1). This report addresses all of the FEPs assigned by the technical work plan (TWP), including the development of exclusion arguments for FEPs that are not carried forward to the TSPA-LA. Except for an editorial correction noted in Section 6.2, there were no other deviations from the TWP. This report documents the completion of all assigned tasks, as follows (BSC 2004 DIRS 172402, Section 1.2.1): (1) Perform analyses to evaluate the potential for microbial activity in the waste emplacement drift under the constraints of anticipated physical and chemical conditions. (2) Evaluate uncertainties associated with these analyses. (3) Determine whether the potential for microbes warrants a feed to TSPA-LA to account for predicted effects on repository performance. (4) Provide information to address the ''Yucca Mountain Review Plan, Final Report'' (NUREG-1804) (NRC 2003 [DIRS 163274]) and Key Technical Issues and agreements, as appropriate. (5) Develop information for inclusion or exclusion of FEPs.

  20. Combustion chemistry. Activities in the CHEC research programme

    Energy Technology Data Exchange (ETDEWEB)

    Dam-Johansen, K.; Johnsson, J.E.; Glarborg, P.; Frandsen, F.; Jensen, A.; Oestberg, M. [Technical Univ. of Denmark, Dept. of Chemical Engineering, Lyngby (Denmark)


    The combustion chemistry in the oxidation of fossil fuels and biofuels determines together with mixing and heat transfer the required size of a furnace, the emission of gaseous pollutants, and the formation of ash and deposits on surfaces. This paper describes technologies for solid fuels combustion and gives a summary of the fuels, the pollutant chemistry and the inorganic chemistry in combustion processes. Emphasis is put on the work carried out in the CHEC (Combustion and Harmful Emission Control Research Programme). (au) 173 refs.

  1. An Assessment of a Physical Chemistry Online Activity (United States)

    Hamby Towns, Marcy; Kreke, Kelley; Sauder, Deborah; Stout, Roland; Long, George; Zielinski, Theresa Julia


    A questionnaire and list server archive were used to investigate the perception of students and faculty who took part in a physical chemistry online project. Students at four universities worked cooperatively in their own classrooms and collaborated as a larger team on the Internet via a list server to determine the best mathematical model to describe the PV behavior of a gas at a specified temperature. The strengths of the project were the interaction among students, the use of Mathcad and modern technology, and the experience of authentic problem-solving. The weaknesses were the problems with the technology, the facilitation of interaction, and the student's ability to ask questions to solve an ill-defined problem. The suggestions for improvements focused on facilitating interuniversity interaction between students, clarifying tasks and goals, and implementation of the online activities. We discuss how our evaluation of the project guided and informed the design of a subsequent online project, and our planning for future projects. In addition, we describe the professional learning community that evolved among faculty who participated in this project.

  2. ICT in teaching and learning chemistry activities on the iPad ...

    African Journals Online (AJOL)

    The purpose of this workshop is to equip chemistry educators with practical activities and logistical training to incorporate Information and Communication Technologies (ICT) into their chemistry curriculum. During this workshop, participants will gain hands-on experience using technology such as iPads and a variety of ...

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

    Directory of Open Access Journals (Sweden)

    Yinliang Yang


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

  4. Solar Energy Education. Renewable energy activities for chemistry and physics

    Energy Technology Data Exchange (ETDEWEB)


    Information on renewable energy sources is provided for students in this teachers' guide. With the chemistry and physics student in mind, solar energy topics such as absorber plate coatings for solar collectors and energy collection and storage methods are studied. (BCS)

  5. Analysis of the Chemistry activities in 1st level of Spanish Bachelor Physics and Chemistry textbooks from a «Chemistry in context» approach

    Directory of Open Access Journals (Sweden)



    Full Text Available In the last few years there are two worrying phenomenon happening in the science teaching environment, on one hand there are fewer students who choose science subjects at the time they’re optional and on the other hand the decreasing number of university students enrolled in science careers, if we add those two facts the results of the latest pisa tests, which show that students who choose these materials do not get satisfactory results, we have a hopeless outlook. One way of analysing the situation is exploring what happens in the classroom and in this context we find that the textbook is a resource used extensively in the teaching of Chemistry; one essential element for learning are planned activities in the classroom, so it seems essential to make a full review of them. The objectives in this study are: Analysing and classifying the activities contextualized of chemistry textbooks currently used in eleventh grade and comparing books from different educational laws based on their contextualized activities. For the review and classification of activities it uses a methodology of analysis for qualitative content. The results demonstrate the anecdotic presence of this kind of activities in textbooks; 8308 activities were reviewed of which only 6,46% corresponded to contextualized activities. In addition when comparing the different books, whether they are currently used or the ones from previous educational laws, we see that there is not a turnaround in what refers to the contextualized activities, as a significant variation is not observed in the percentages and therefore do not adapt well to curriculum changes. 

  6. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John


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

  7. Liaison activities with the Institute of Physical Chemistry, Russian Academy of Sciences: FY 1997

    Energy Technology Data Exchange (ETDEWEB)

    Delegard, C.H.; Elovich, R.J.


    The Institute of Physical Chemistry of the Russian Academy of Sciences is conducting a program of fundamental and applied research into the chemistry of the actinides and technetium in alkaline media such as are present in the Hanford Site underground waste storage tanks. This work is being coordinated and the results disseminated through a technical liaison maintained at the Pacific Northwest National Laboratory. The technical liaison is performing laboratory studies on plutonium chemistry in alkaline media. The activities at the Institute of Physical Chemistry and through the liaison are pursued to improve understanding of the chemical behavior of key long-lived radioactive elements under current operating and proposed tank waste processing conditions. Both activities are supported by the Efficient Separations and Processing Crosscutting Program under the Office of Science and Technology of the U.S. Department of Energy.

  8. The sequence of learning cycle activities in high school chemistry (United States)

    Abraham, Michael R.; Renner, John W.

    The sequence of the three phases of two high school learning cycles in chemistry was altered in order to: (I ) give insights into the factors which account for the success of the learning cycle, (2) serve as an indirect test of the association between Piaget's theory and the learning cycle, and (3) to compare the learning cycle with traditional instruction. Each of the six sequences (one n o d and five altered) was studied with content and atritudc measures. The outcomes of the study supported the contention that the normal learning cycle sequence is the optimum sequence for achievement of content knowledge.


    Directory of Open Access Journals (Sweden)

    Clotilde Pizarro


    Full Text Available In this paper the methodology of cases in first year students of the Engineering Risk Prevention and Environment is applied. For this purpose a real case of contamination occurred at a school in the region of Valparaiso called "La Greda" is presented. If the application starts delivering an extract of the information collected from the media and they made a brief induction on the methodology to be applied. A plenary session, which is debate about possible solutions to the problem and establishing a relationship between the case and drives the chemistry program is then performed. Is concluded that the application of the case method, was a fruitful tool in yields obtained by students, since the percentage of approval was 75%, which is considerably higher than previous years.

  10. Development of porosity and surface chemistry of textile waste jute-based activated carbon by physical activation. (United States)

    Chen, Weifang; He, Feifei; Zhang, Sijia; Xv, Hui; Xv, Zhihua


    Two-step physical activation was used to prepare activated carbon from textile waste jute. Raw material was first carbonized under nitrogen and then activated by CO 2 . Based on yield and pore structure, the optimal carbonization temperature and time were 500 °C and 60 min, respectively. Carbonized sample was next activated. The development of porosity and surface chemistry was highly dependent on activation temperature and time. Activated carbon produced at 800 °C was predominantly microporous while that produced at 900 °C was more mesoporous and macroporous. The shift from microporosity to mesoporosity could be used to produce either microporous or mesoporous carbon just by changing the activation temperature. Activation also changed the surface chemistry and created a more carbonaceous structure. The jute-based activated carbon was mostly powdered in form, slightly acidic and effective in adsorbing both heavy metals and organics.

  11. Laboratory Activity Worksheet to Train High Order Thinking Skill of Student on Surface Chemistry Lecture (United States)

    Yonata, B.; Nasrudin, H.


    A worksheet has to be a set with activity which is help students to arrange their own experiments. For this reason, this research is focused on how to train students’ higher order thinking skills in laboratory activity by developing laboratory activity worksheet on surface chemistry lecture. To ensure that the laboratory activity worksheet already contains aspects of the higher order thinking skill, it requires theoretical and empirical validation. From the data analysis results, it shows that the developed worksheet worth to use. The worksheet is worthy of theoretical and empirical feasibility. This conclusion is based on the findings: 1) Assessment from the validators about the theoretical feasibility aspects in the category is very feasible with an assessment range of 95.24% to 97.92%. 2) students’ higher thinking skill from N Gain values ranges from 0.50 (enough) to 1.00 (high) so it can be concluded that the laboratory activity worksheet on surface chemistry lecture is empirical in terms of worth. The empirical feasibility is supported by the responses of the students in very reasonable categories. It is expected that the laboratory activity worksheet on surface chemistry lecture can train students’ high order thinking skills for students who program surface chemistry lecture.

  12. Chemistry Technology (United States)

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

  13. Students' Perceptions of Teaching in Context-based and Traditional Chemistry Classrooms: Comparing content, learning activities, and interpersonal perspectives (United States)

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


    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

  14. Chemistry and biological activity of ramalina lichenized fungi

    National Research Council Canada - National Science Library

    Moreira, Antônio Sérgio Nascimento; Braz-Filho, Raimundo; Mussi-Dias, Vicente; Vieira, Ivo José Curcino


    ... or isolated compounds were cited. From the 153 mentioned compounds, only 27 passed were tested for biological activity, being usnic acid the most studied compound and the one showing the best results in almost all in vitro tests...

  15. The Effects of 5E Inquiry Learning Activities on Achievement and Attitude toward Chemistry (United States)

    Sen, Senol; Oskay, Ozge Ozyalcin


    The purpose of this study was to investigate the effects of 5E inquiry learning activities on students' achievement, attitude toward chemistry. A non-equivalent control group design was used to the quasi-experimental research in this study. A total of 34 (8 males and 26 females) undergraduates in Turkey voluntarily participated in the study. The…

  16. A Review on the Chemistry of Eremanthine: A Sesquiterpene Lactone with Relevant Biological Activity

    Directory of Open Access Journals (Sweden)

    José C. F. Alves


    Full Text Available The several aspects on the chemistry of eremanthine such as isolation, structural classification, biological activity, synthesis, and chemical transformations in other sesquiterpene lactones are described in this review. The main publications on this sesquiterpenolide, from its isolation of natural sources in 1972 to the current days, are included.

  17. Structure activity study on the quinone/quinone methide chemistry of flavonoids

    NARCIS (Netherlands)

    Awad, H.M.; Boersma, M.G.; Boeren, S.; Bladeren, van P.J.; Vervoort, J.; Rietjens, I.M.C.M.


    A structure-activity study on the quinone/quinone methide chemistry of a series of 3',4'-dihydroxyflavonoids was performed. Using the glutathione trapping method followed by HPLC, 1H NMR, MALDI-TOF, and LC/MS analysis to identify the glutathionyl adducts, the chemical behavior of the

  18. Chemistry and Structure-Activity Relationships of Psychedelics. (United States)

    Nichols, David E


    This chapter will summarize structure-activity relationships (SAR) that are known for the classic serotonergic hallucinogens (aka psychedelics), focusing on the three chemical types: tryptamines, ergolines, and phenethylamines. In the brain, the serotonin 5-HT 2A receptor plays a key role in regulation of cortical function and cognition, and also appears to be the principal target for hallucinogenic/psychedelic drugs such as LSD. It is one of the most extensively studied of the 14 known types of serotonin receptors. Important structural features will be identified for activity and, where possible, those that the psychedelics have in common will be discussed. Because activation of the 5-HT 2A receptor is the principal mechanism of action for psychedelics, compounds with 5-HT 2A agonist activity generally are quickly discarded by the pharmaceutical industry. Thus, most of the research on psychedelics can be related to activation of 5-HT 2A receptors. Therefore, much of the discussion will include not only clinical or anecdotal studies, but also will consider data from animal models as well as a certain amount of molecular pharmacology where it is known.

  19. Chemistry and Biological Activities of Flavonoids: An Overview (United States)

    Kumar, Shashank; Pandey, Abhay K.


    There has been increasing interest in the research on flavonoids from plant sources because of their versatile health benefits reported in various epidemiological studies. Since flavonoids are directly associated with human dietary ingredients and health, there is need to evaluate structure and function relationship. The bioavailability, metabolism, and biological activity of flavonoids depend upon the configuration, total number of hydroxyl groups, and substitution of functional groups about their nuclear structure. Fruits and vegetables are the main dietary sources of flavonoids for humans, along with tea and wine. Most recent researches have focused on the health aspects of flavonoids for humans. Many flavonoids are shown to have antioxidative activity, free radical scavenging capacity, coronary heart disease prevention, hepatoprotective, anti-inflammatory, and anticancer activities, while some flavonoids exhibit potential antiviral activities. In plant systems, flavonoids help in combating oxidative stress and act as growth regulators. For pharmaceutical purposes cost-effective bulk production of different types of flavonoids has been made possible with the help of microbial biotechnology. This review highlights the structural features of flavonoids, their beneficial roles in human health, and significance in plants as well as their microbial production. PMID:24470791

  20. Chemistry and bacteriostatic activity of the essential oil and major ...

    African Journals Online (AJOL)

    The essential oil produced via Clevenger equipment was chemically characterized with GC-MS and it revealed the presence of twenty four (24) isolates among which the monocyclic monoterpene (-)-Limonene (91.1 %) was found to be the chief element in the oil. The activities of the oils extracted through the two models ...

  1. Chemistry and Biological Activities of Flavonoids: An Overview

    Directory of Open Access Journals (Sweden)

    Shashank Kumar


    Full Text Available There has been increasing interest in the research on flavonoids from plant sources because of their versatile health benefits reported in various epidemiological studies. Since flavonoids are directly associated with human dietary ingredients and health, there is need to evaluate structure and function relationship. The bioavailability, metabolism, and biological activity of flavonoids depend upon the configuration, total number of hydroxyl groups, and substitution of functional groups about their nuclear structure. Fruits and vegetables are the main dietary sources of flavonoids for humans, along with tea and wine. Most recent researches have focused on the health aspects of flavonoids for humans. Many flavonoids are shown to have antioxidative activity, free radical scavenging capacity, coronary heart disease prevention, hepatoprotective, anti-inflammatory, and anticancer activities, while some flavonoids exhibit potential antiviral activities. In plant systems, flavonoids help in combating oxidative stress and act as growth regulators. For pharmaceutical purposes cost-effective bulk production of different types of flavonoids has been made possible with the help of microbial biotechnology. This review highlights the structural features of flavonoids, their beneficial roles in human health, and significance in plants as well as their microbial production.

  2. Combination Chemistry: Structure-Activity Relationships of Novel Psychoactive Cannabinoids. (United States)

    Wiley, Jenny L; Marusich, Julie A; Thomas, Brian F


    Originally developed as research tools for use in structure-activity relationship studies, synthetic cannabinoids contributed to significant scientific advances in the cannabinoid field. Unfortunately, a subset of these compounds was diverted for recreational use beginning in the early 2000s. As these compounds were banned, they were replaced with additional synthetic cannabinoids with increasingly diverse chemical structures. This chapter focuses on integration of recent results with those covered in previous reviews. Whereas most of the early compounds were derived from the prototypic naphthoylindole JWH-018, currently popular synthetic cannabinoids include tetramethylcyclopropyl ketones and indazole-derived cannabinoids (e.g., AB-PINACA, AB-CHMINACA). Despite their structural differences, psychoactive synthetic cannabinoids bind with high affinity to CB1 receptors in the brain and, when tested, have been shown to activate these receptors and to produce a characteristic profile of effects, including suppression of locomotor activity, antinociception, hypothermia, and catalepsy, as well as Δ9-tetrahydrocannabinol (THC)-like discriminative stimulus effects in mice. When they have been tested, synthetic cannabinoids are often found to be more efficacious at activation of the CB1 receptor and more potent in vivo. Further, their chemical alteration by thermolysis during use and their uncertain stability and purity may result in exposure to degradants that differ from the parent compound contained in the original product. Consequently, while their intoxicant effects may be similar to those of THC, use of synthetic cannabinoids may be accompanied by unpredicted, and sometimes harmful, effects.

  3. The synthesis of active pharmaceutical ingredients (APIs using continuous flow chemistry

    Directory of Open Access Journals (Sweden)

    Marcus Baumann


    Full Text Available The implementation of continuous flow processing as a key enabling technology has transformed the way we conduct chemistry and has expanded our synthetic capabilities. As a result many new preparative routes have been designed towards commercially relevant drug compounds achieving more efficient and reproducible manufacture. This review article aims to illustrate the holistic systems approach and diverse applications of flow chemistry to the preparation of pharmaceutically active molecules, demonstrating the value of this strategy towards every aspect ranging from synthesis, in-line analysis and purification to final formulation and tableting. Although this review will primarily concentrate on large scale continuous processing, additional selected syntheses using micro or meso-scaled flow reactors will be exemplified for key transformations and process control. It is hoped that the reader will gain an appreciation of the innovative technology and transformational nature that flow chemistry can leverage to an overall process.

  4. Study the active site of flavonoid applying radiation chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Wu Jilan; Sun Gang; Zhang Fugen; He Yongke; Li Jiuqiang [Department of Technical Physics, Peking Univ., Beijing (China)


    Flavonoid are a large and important class of naturally occurring, low molecular weight benzo-{gamma}-pyrone derivatives which are reported to have a myriad of biological activities, but the study on the active sites of flavonoids is still ambiguous. In this paper, rutin, quercetin and baicalin have been selected as model compounds. It is well known that rutin is used in inhibiting arteriosclerosis and baicalin is antibacterial and antiviral. They have similar basic structure, but their medicinal properties are so different, why? As most flavonoids contain carbonyl group, which can capture electron effectively, we predict that flavonoids can capture electron to form radical anion. The formation of anion radical may have influence on the mitochondrial electron transport chain. The difference in the ability of forming anion radical may cause the difference in their medicinal effects. (author)

  5. Natural Product Nitric Oxide Chemistry: New Activity of Old Medicines

    Directory of Open Access Journals (Sweden)

    Hong Jiang


    Full Text Available The use of complementary and alternative medicine (CAM as a therapy and preventative care measure for cardiovascular diseases (CVD may prove to be beneficial when used in conjunction with or in place of conventional medicine. However, the lack of understanding of a mechanism of action of many CAMs limits their use and acceptance in western medicine. We have recently recognized and characterized specific nitric oxide (NO activity of select alternative and herbal medicines that may account for many of their reported health benefits. The ability of certain CAM to restore NO homeostasis both through enhancing endothelial production of NO and by providing a system for reducing nitrate and nitrite to NO as a compensatory pathway for repleting NO bioavailability may prove to be a safe and cost-effective strategy for combating CVD. We will review the current state of science behind NO activity of herbal medicines and their effects on CVD.

  6. Insight in the Chemistry of Laser-Activated Dental Bleaching (United States)

    De Moor, Roeland Jozef Gentil; Meire, Maarten August; De Coster, Peter Jozef; Walsh, Laurence James


    The use of optical radiation for the activation of bleaching products has not yet been completely elucidated. Laser light is suggested to enhance the oxidizing effect of hydrogen peroxide. Different methods of enhancing hydrogen peroxide based bleaching are possible. They can be classified into six groups: alkaline pH environment, thermal enhancement and photothermal effect, photooxidation effect and direct photobleaching, photolysis effect and photodissociation, Fenton reaction and photocatalysis, and photodynamic effect. PMID:25874251

  7. Thapsigargin, origin, chemistry, structure-activity relationships and prodrug development

    DEFF Research Database (Denmark)

    Doan, Thi Quynh Nhu; Christensen, Søren Brøgger


    Thapsigargin was originally isolated from the roots of the Mediterranean umbelliferous plant Thapsia garganica in order to characterize the skin irritant principle. The biological activity was related to the subnanomolar affinity for the sarco-endoplasmic reticulum calcium ATPase. Prolonged......) targeted against prostate cancer. Conjugation to a peptide, which only is a substrate for prostate specific membrane antigen enabled development of a prodrug (G202), which is targeted towards a number of cancer diseases including hepatocellular carcinoma. G202 has under the name of mipsagargin in clinical...

  8. Coriander (Coriandrum sativum L.) essential oil: Chemistry and biological activity


    Mandal, Mr. Shyamapada; Mandal, Manisha


    Coriandrum sativum L. (C. sativum) is one of the most useful essential oil bearing spices as well as medicinal plants, belonging to the family Umbelliferae/Apiaceae. The leaves and seeds of the plant are widely used in folk medicine in addition to its use as a seasoning in food preparation. The C. sativum essential oil and extracts possess promising antibacterial, antifungal and anti-oxidative activities as various chemical components in different parts of the plant, which thus play a great r...

  9. Coriander (Coriandrum sativum L. essential oil: Chemistry and biological activity

    Directory of Open Access Journals (Sweden)

    Shyamapada Mandal


    Full Text Available Coriandrum sativum L. (C. sativum is one of the most useful essential oil bearing spices as well as medicinal plants, belonging to the family Umbelliferae/Apiaceae. The leaves and seeds of the plant are widely used in folk medicine in addition to its use as a seasoning in food preparation. The C. sativum essential oil and extracts possess promising antibacterial, antifungal and anti-oxidative activities as various chemical components in different parts of the plant, which thus play a great role in maintaining the shelf-life of foods by preventing their spoilage. This edible plant is non-toxic to humans, and the C. sativum essential oil is thus used in different ways, viz., in foods (like flavouring and preservatives and in pharmaceutical products (therapeutic action as well as in perfumes (fragancias and lotions. The current updates on the usefulness of the plant C. sativum are due to scientific research published in different web-based journals.

  10. Amazon acai: chemistry and biological activities: a review. (United States)

    Yamaguchi, Klenicy Kazumy de Lima; Pereira, Luiz Felipe Ravazi; Lamarão, Carlos Victor; Lima, Emerson Silva; da Veiga-Junior, Valdir Florêncio


    Acai (acai or assai) is one of the Amazon's most popular functional foods and widely used in the world. There are many benefits to its alleged use in the growing market for nutraceuticals. The acai extracts have a range of polyphenolic components with antioxidant properties, some of those present in greater quantity are orientin, isoorientin and vanillic acid, as well as anthocyanins cyanidin-3-glucoside and cyanidin-3-rutinoside. The presence of these substances is linked mainly to the antioxidant, anti- inflammatory, anti-proliferative and cardioprotective activities. Importantly, there are two main species of the Euterpe genus which produce acai. There are several differences between them but they are still quite unknown, from literature to producers and consumers. In this review are highlighted the chemical composition, botanical aspects, pharmacological, marketing and nutrition of these species based on studies published in the last five years in order to unify the current knowledge and dissimilarities between them. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Teaching chemistry concepts using differentiated instruction via tiered labs and activity menus (United States)

    Collins, Betsy C.

    Today's high school classrooms are composed of students with different levels of knowing and ways of understanding. Differentiating the type of work that they are asked to do to achieve the same objective is one way to meet each student's special circumstances on a somewhat equal playing field. By doing so, students are being challenged at their level rather than just blindly going through the same motions that they see others around them doing. Offering students choices to better understand a concept places the student in the driver seat of their educational journey. The purpose of this research project was to design and implement choice activities within the chemistry classroom to more appropriately teach and assess chemistry concepts and assess understanding of those concepts. These choice activities included tiered-laboratory investigations and activity menus. This project was implemented over the course of two trimesters in a high school chemistry classroom. Topics covered included calculating and interpreting density and applying significant figures, calculating and interpreting percent composition with the mole concept, and stoichiometry. The effectiveness of the tiered-labs and activity menus were evaluated using pre and post test comparisons, student surveys, and general in-class observations. Gains in conceptual understanding and student motivation were documented. These findings indicated that allowing choice and leveling of skills to achieve the same conceptual understanding promoted student learning and the overall enjoyment and motivation for learning.

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

    Directory of Open Access Journals (Sweden)

    Ma N


    Full Text Available Nan Ma,1–3 Ying Wang,3 Bing-Xin Zhao,3 Wen-Cai Ye,1,3 Sheng Jiang2 1Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing, 2Laboratory of Medicinal Chemistry, Guangzhou Institute of Biomedicine and Health, Chinese Academy of Sciences, 3Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou, People’s Republic of China Abstract: The copper(I-catalyzed 1,3-dipolar cycloaddition between alkynes and azides (click chemistry to form 1,2,3-triazoles is the most popular reaction due to its reliability, specificity, and biocompatibility. This reaction has the potential to shorten procedures, and render more efficient lead identification and optimization procedures in medicinal chemistry, which is a powerful modular synthetic approach toward the assembly of new molecular entities and has been applied in anticancer drugs discovery increasingly. The present review focuses mainly on the applications of this reaction in the field of synthesis of agents with anticancer activity, which are divided into four groups: topoisomerase II inhibitors, histone deacetylase inhibitors, protein tyrosine kinase inhibitors, and antimicrotubule agents. Keywords: topoisomerase II inhibitors, histone deacetylase inhibitors, protein tyrosine kinase inhibitors, antimicrotubule agents

  13. S.E.A. Lab. Science Experiments and Activities. Marine Science for High School Students in Chemistry, Biology and Physics. (United States)

    Hart, Kathy, Ed.

    A series of science experiments and activities designed for secondary school students taking biology, chemistry, physics, physical science or marine science courses are outlined. Each of the three major sections--chemistry, biology, and physics--addresses concepts that are generally covered in those courses but incorporates aspects of marine…

  14. Hot Chemistry Laboratory decommissioning activities at IPEN/CNEN-SP, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Camilo, Ruth L.; Lainetti, Paulo E.O. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)], e-mail:, e-mail:


    IPEN's fuel cycle activities were accomplished in laboratory and pilot plant scale and most facilities were built in the 70-80 years. Nevertheless, radical changes of the Brazilian nuclear policy in the beginning of 90's determined the interruption of several fuel cycle activities and facilities shutdown. Since then, IPEN has faced the problem of the pilot plants decommissioning considering that there was no experience/expertise in this field at all. In spite of this, some laboratory and pilot plant decommissioning activities have been performed in IPEN in the last years, even without previous experience and training support. One of the first decommissioning activities accomplished in IPEN involved the Hot Chemistry Laboratory. This facility was built in the beginning of the 80's with the proposal of supporting research and development in the nuclear chemistry area. It was decided to settle a new laboratory in the place where the Hot Chemistry Laboratory was installed, being necessary its total releasing from the radioactive contamination point of view. The previous work in the laboratory involved the manipulation of samples of irradiated nuclear fuel, besides plutonium-239 and uranium-233 standard solutions. There were 5 glove-boxes in the facility but only 3 were used with radioactive material. The glove-boxes contained several devices and materials, besides the radioactive compounds, such as: electric and electronic equipment, metallic and plastic pieces, chemical reagents, liquid and solid radioactive wastes, etc. The laboratory's decommissioning process was divided in 12 steps. This paper describes the procedures, problems faced and results related to the Hot Chemistry Laboratory decommissioning operations and its reintegration as a new laboratory of the Chemical and Environmental Technology Center (CQMA) - IPEN-CNEN/SP. (author)

  15. Diversity of Secondary Metabolites from Marine Bacillus Species: Chemistry and Biological Activity (United States)

    Mondol, Muhammad Abdul Mojid; Shin, Hee Jae; Islam, Mohammad Tofazzal


    Marine Bacillus species produce versatile secondary metabolites including lipopeptides, polypeptides, macrolactones, fatty acids, polyketides, and isocoumarins. These structurally diverse compounds exhibit a wide range of biological activities, such as antimicrobial, anticancer, and antialgal activities. Some marine Bacillus strains can detoxify heavy metals through reduction processes and have the ability to produce carotenoids. The present article reviews the chemistry and biological activities of secondary metabolites from marine isolates. Side by side, the potential for application of these novel natural products from marine Bacillus strains as drugs, pesticides, carotenoids, and tools for the bioremediation of heavy metal toxicity are also discussed. PMID:23941823

  16. New Concept of C–H and C–C Bond Activation via Surface Organometallic Chemistry

    KAUST Repository

    Samantaray, Manoja


    In this chapter we describe the recent applications of well-defined oxidesupported metal alkyls/alkylidenes/alkylidynes and hydrides of group IV, V, and VI transition metals in the field of C–H and C–C bond activation. The activation of ubiquitous C–H and C–C bonds of paraffin is a long-standing challenge because of intrinsic low reactivity. There are many concepts derived from surface organometallic chemistry (SOMC): surface organometallic fragments are always intermediates in heterogeneous catalysis. The study of their synthesis and reactivity is a way to rationalize mechanism of heterogeneous catalysis and to achieve structure activity relationship. By surface organometallic chemistry one can enter any catalytic center by a reaction intermediate leading in fine to single site catalysts. With surface organometallic chemistry one can coordinate to the metal which can play a role in different elementary steps leading for example to C–H activation and Olefin metathesis. Because of the development of SOMC there is a lot of space for the improvement of homogeneous catalysis. After the 1997 discovery of alkane metathesis using silica-supported tantalum hydride by Basset et al. at low temperature (150ºC) the focus in this area was shifted to the discovery of more and more challenging surface complexes active in the application of C–H and C–C bond activation. Here we describe the evolution of well-defined metathesis catalyst with time as well as the effect of support on catalysis. We also describe here which metal–ligand combinations are responsible for a variety of C–H and C–C bond activation.

  17. Adsorption of anionic and cationic dyes on activated carbons with different surface chemistries. (United States)

    Faria, P C C; Orfão, J J M; Pereira, M F R


    The influence of the surface chemical groups of an activated carbon on the removal of different classes of dyes is evaluated. Starting from the same material (NORIT GAC 1240 PLUS), the following treatments were carried out in order to produce a series of samples with different surface chemical properties but with no major differences in their textural properties: oxidation in the liquid phase with 6M HNO(3) and 10 M H(2)O(2) (acid materials) and heat treatment at 700 degrees C in H(2) or N(2) flow (basic materials). The specific micropores volume and mesopores surface area of the materials were obtained from N(2) adsorption equilibrium isotherms at 77K. The surface chemistry was characterised by temperature programmed desorption, by the determination of the point of zero charge (pH(pzc)) and by the evaluation of the acidity/basicity of the samples. Elemental and proximate analyses were also carried out. Equilibrium isotherms of selected dyes (an acid, a basic and a reactive dye) on the mentioned samples were obtained and the results discussed in relation to their surface chemistry. In general, the Langmuir model provided the best fit for the adsorption data. It is shown that the surface chemistry of the activated carbon plays a key role in dye adsorption performance. The basic sample obtained by thermal treatment under H(2) flow at 700 degrees C is the best material for the adsorption of all the tested dyes.

  18. Adsorption of hydrogen sulfide onto activated carbon fibers: effect of pore structure and surface chemistry. (United States)

    Feng, Wenguo; Kwon, Seokjoon; Borguet, Eric; Vidic, Radisav


    To understand the nature of H2S adsorption onto carbon surfaces under dry and anoxic conditions, the effects of carbon pore structure and surface chemistry were studied using activated carbon fibers (ACFs) with different pore structures and surface areas. Surface pretreatments, including oxidation and heattreatment, were conducted before adsorption/desorption tests in a fixed-bed reactor. Raw ACFs with higher surface area showed greater adsorption and retention of sulfur, and heat treatment further enhanced adsorption and retention of sulfur. The retained amount of hydrogen sulfide correlated well with the amount of basic functional groups on the carbon surface, while the desorbed amount reflected the effect of pore structure. Temperature-programmed desorption (TPD) and thermal gravimetric analysis (TGA) showed that the retained sulfurous compounds were strongly bonded to the carbon surface. In addition, surface chemistry of the sorbent might determine the predominant form of adsorbate on the surface.

  19. The application of click chemistry in the synthesis of agents with anticancer activity. (United States)

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


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

  20. The application of click chemistry in the synthesis of agents with anticancer activity (United States)

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


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

  1. Inquiry-based Laboratory Activities on Drugs Analysis for High School Chemistry Learning (United States)

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


    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.

  2. Nuclear Chemistry. (United States)

    Chemical and Engineering News, 1979


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

  3. Importance of the surface chemistry of nanoparticles on peroxidase-like activity. (United States)

    El-Sayed, Ramy; Ye, Fei; Asem, Heba; Ashour, Radwa; Zheng, Wenyi; Muhammed, Mamoun; Hassan, Moustapha


    We report the studies on origin of peroxidase-like activity for gold nanoparticles, as well as the impact from morphology and surface charge of nanoparticles. For this purpose, we have synthesized hollow gold nanospheres (HAuNS) and gold nanorods (AuNR) with different morphology and surface chemistry to investigate their influence on the catalytic activity. We found that citrate-capped HAuNS show catalyzing efficiency in oxidation reaction of 3,3',5,5'-tetramethylbenzidine (TMB) by hydrogen peroxide (H2O2) and it is superior to that of cetyltrimethylammonium bromide (CTAB)-capped AuNR. The kinetics of catalytic activities from HAuNS and AuNR were respectively studied under varied temperatures. The results indicated that surface chemistry rather than morphology of nanoparticles plays an important role in the catalytic reaction of substrate. Furthermore, influencing factors such as pH, amount of nanoparticle and H2O2 concentration were also investigated on HAuNS-catalyzed system. The great impact of nanoparticle surface properties on catalytic reactions makes a paradigm in constructing nanozymes as peroxidase mimic for sensing application. Copyright © 2017 Elsevier Inc. All rights reserved.

  4. Chemically active colloids near osmotic-responsive walls with surface-chemistry gradients

    CERN Document Server

    Popescu, M N; Dietrich, S


    Chemically active colloids move by creating gradients in the composition of the surrounding solution and by exploiting the differences in their interactions with the various molecular species in solution. If such particles move near boundaries, e.g., the walls of the container confining the suspension, gradients in the composition of the solution are also created along the wall. This give rise to chemi-osmosis (via the interactions of the wall with the molecular species forming the solution), which drives flows coupling back to the colloid and thus influences its motility. Employing an approximate "point-particle" analysis, we show analytically that -- owing to this kind of induced active response (chemi-osmosis) of the wall -- such chemically active colloids can align with, and follow, gradients in the surface chemistry of the wall. In this sense, these artificial "swimmers" exhibit a primitive form of thigmotaxis with the meaning of sensing the proximity of a (not necessarily discontinuous) physical change ...

  5. Review of the genus Ipomoea: traditional uses, chemistry and biological activities

    Directory of Open Access Journals (Sweden)

    Marilena Meira

    Full Text Available Approximately 600-700 species of Ipomoea, Convolvulaceae, are found throughout tropical and subtropical regions of the world. Several of those species have been used as ornamental plants, food, medicines or in religious ritual. The present work reviews the traditional uses, chemistry and biological activities of Ipomoea species and illustrates the potential of the genus as a source of therapeutic agents. These species are used in different parts of the world for the treatment of several diseases, such as, diabetes, hypertension, dysentery, constipation, fatigue, arthritis, rheumatism, hydrocephaly, meningitis, kidney ailments and inflammations. Some of these species showed antimicrobial, analgesic, spasmolitic, spasmogenic, hypoglycemic, hypotensive, anticoagulant, anti-inflammatory, psychotomimetic and anticancer activities. Alkaloids, phenolics compounds and glycolipids are the most common biologically active constituents from these plant extracts.

  6. Guided learning chemistry activities in the physical science (PSCI 1030) lab at Middle Tennessee State University (United States)

    Farris, Barry


    Guided learning labs as alternatives to traditional style chemistry-related labs were tested in the course, Topics in Physical Science. Guided learning labs emphasized students' conceptual understanding of the science content and actively involved the instructor during the lab. The control group performed traditional lab exorcise while students who carried out the guided learning activities formed the treatment group. Both groups had similar demographic and academic backgrounds. This research compared student performances on the three labs: Density, Kinetic Theory and Chemical Reactions. Both groups completed pre-lab and post-lab quizzes and answered conceptual questions for each lab. Students also participated in a post-course quiz via email. Scores on all these assessments were compared using independent samples t tests. The treatment group outscored the control group on all summary assessments, and performed significantly better than the control group on the post-lab quizzes and conceptual questions for all three labs. Students in the treatment group demonstrated stronger Pearson's correlations between their ACT Mathematics, Science Reasoning and Reading Comprehension scores and their scores on the assessments. Student reactions to the guided learning style of lab were favorable. The implication is that guided learning labs improve conceptual understanding of chemistry concepts in a physical science lab course.

  7. Secondary metabolites from the South China Sea invertebrates: chemistry and biological activity. (United States)

    Zhang, Wen; Guo, Yue-Wei; Gu, Yucheng


    The increasing demand for new lead compounds in the pharmaceutical and agrochemical industries has driven scientists to search for new sources of bioactive natural products. Marine invertebrates are a rich source of novel, bioactive secondary metabolites and they have attracted a great deal of attention from scientists in the fields of chemistry, pharmacology, ecology, and molecular biology. During the past 25 years, many complex and structurally unique secondary metabolites have been isolated from the invertebrates inhabiting the South China Sea. These metabolites are responsible for various bioactivities such as anti-tumor, anti-inflammation and antioxidant activities, and/or they act on the cardiovascular system. This review will focus on the marine natural product chemistry of invertebrates from the South China Sea, aiming to give the reader a brief view of the compounds isolated from these invertebrates, as well as their biological activities. The article covers the literature published during the period from the beginning of 1980 to the end of 2005, with 340 citations and 811 compounds from invertebrates from the South China Sea, including sponges, coelenterates, molluscs and echinoderms.

  8. Coordination chemistry controls the thiol oxidase activity of the B12-trafficking protein CblC. (United States)

    Li, Zhu; Shanmuganathan, Aranganathan; Ruetz, Markus; Yamada, Kazuhiro; Lesniak, Nicholas A; Kräutler, Bernhard; Brunold, Thomas C; Koutmos, Markos; Banerjee, Ruma


    The cobalamin or B 12 cofactor supports sulfur and one-carbon metabolism and the catabolism of odd-chain fatty acids, branched-chain amino acids, and cholesterol. CblC is a B 12 -processing enzyme involved in an early cytoplasmic step in the cofactor-trafficking pathway. It catalyzes the glutathione (GSH)-dependent dealkylation of alkylcobalamins and the reductive decyanation of cyanocobalamin. CblC from Caenorhabditis elegans ( ce CblC) also exhibits a robust thiol oxidase activity, converting reduced GSH to oxidized GSSG with concomitant scrubbing of ambient dissolved O 2 The mechanism of thiol oxidation catalyzed by ce CblC is not known. In this study, we demonstrate that novel coordination chemistry accessible to ce CblC-bound cobalamin supports its thiol oxidase activity via a glutathionyl-cobalamin intermediate. Deglutathionylation of glutathionyl-cobalamin by a second molecule of GSH yields GSSG. The crystal structure of ce CblC provides insights into how architectural differences at the α- and β-faces of cobalamin promote the thiol oxidase activity of ce CblC but mute it in wild-type human CblC. The R161G and R161Q mutations in human CblC unmask its latent thiol oxidase activity and are correlated with increased cellular oxidative stress disease. In summary, we have uncovered key architectural features in the cobalamin-binding pocket that support unusual cob(II)alamin coordination chemistry and enable the thiol oxidase activity of ce CblC. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

  9. Novel Concrete Chemistry Achieved with Low Dose Gamma Radiation Curing and Resistance to Neutron Activation (United States)

    Burnham, Steven Robert

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

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

    Directory of Open Access Journals (Sweden)

    Tuğçe GÜNTER


    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.

  11. LAS0811: From Combinatorial Chemistry to Activation of Antioxidant Response Element

    Directory of Open Access Journals (Sweden)

    Ming Zhu


    Full Text Available The antioxidant response element (ARE and its transcription factor, nuclear factor-erythroid 2 p45-related factor 2 (Nrf2, are potential targets for cancer chemoprevention. We sought to screen small molecules synthesized with combinatorial chemistry for activation of ARE. By high-throughput screening of 9400 small molecules from 10 combinatorial chemical libraries using HepG2 cells with an ARE-driven reporter, we have identified a novel small molecule, 1,2-dimethoxy-4,5-dinitrobenzene (LAS0811, as an activator of the ARE. LAS0811 upregulated the activity of NAD(PH:quinone oxidoreductase 1 (NQO1, a representative antioxidative enzyme regulated by ARE. It enhanced production of an endogenous reducing agent, glutathione (GSH. In addition, LAS0811 induced expression of heme oxygenase 1 (HO1, which is an ARE-regulated enzyme with anti-inflammatory activity. Furthermore, LAS0811 reduced cell death due to the cytotoxic stress of a strong oxidant, t-butyl hydroperoxide (t-BOOH. Mechanistically, LAS0811 upregulated the expression of Nrf2 and promoted its translocation into the nuclei leading to subsequent ARE activation. Taken together, LAS0811 is a novel activator of the ARE and its associated detoxifying genes and, thus, a potential agent for cancer chemoprevention.

  12. Reasserting the Role of Pre-Laboratory Activities in Chemistry Education: A Proposed Framework for Their Design (United States)

    Agustian, Hendra Y.; Seery, Michael K.


    In this article we summarise over 60 reports and research articles on pre-laboratory activities in higher education chemistry. In the first section of the review, we categorise these activities as follows. First are those intending to introduce chemical concepts, that typically take the form of a pre-laboratory lecture, pre-laboratory quizzes, and…

  13. Final Report: Main Group Element Chemistry in Service of Hydrogen Storage and Activation

    Energy Technology Data Exchange (ETDEWEB)

    David A. Dixon; Anthony J. Arduengo, III


    goal was met in terms of reducing the number of costly experiments and helping to focus the experimental effort on the potentially optimal targets. We have used computational chemistry approaches to predict the thermodynamic properties of a wide range of compounds containing boron, nitrogen, hydrogen, and other elements as appropriate including carbon. These calculations were done in most cases with high level molecular orbital theory methods that have small error bars on the order of ± 1 to 2 kcal/mol. The results were used to benchmark more approximate methods such as density functional theory for larger systems and for database development. We predicted reliable thermodynamics for thousands of compounds for release and regeneration schemes to aid/guide materials design and process design and simulation. These are the first reliable computed values for these compounds and for many represent the only available values. Overall, the computational results have provided us with new insights into the chemistry of main group and organic-base chemical hydrogen systems from the release of hydrogen to the regeneration of spent fuel. A number of experimental accomplishments were also made in this project. The experimental work on hydrogen storage materials centered on activated polarized σ- or π-bonded frameworks that hold the potential for ready dihydrogen activation, uptake, and eventually release. To this end, a large number of non-traditional valence systems including carbenes, cyanocarbons, and C-B and and B-N systems were synthesized and examined. During the course of these studies an important lead arose from the novel valency of a class of stable organic singlet bi-radical systems. A synthetic strategy to an “endless” hydrogen storage polymer has been developed based on our cyanocarbon chemistry. A key issue with the synthetic efforts was being able to link the kinetics of release with the size of the substituents as it was difficult to develop a low molecular

  14. Osteoinductive activity of insulin-functionalized cell culture surfaces obtained using diazonium chemistry (United States)

    Mikulska, Anna; Filipowska, Joanna; Osyczka, Anna; Nowakowska, Maria; Szczubiałka, Krzysztof


    Polymeric surfaces suitable for cell culture (DR/Pec) were constructed from diazoresin (DR) and pectin (Pec) in a form of ultrathin films using the layer-by-layer (LbL) technique. The surfaces were functionalized with insulin using diazonium chemistry. Such functionalized surfaces were used to culture human mesenchymal stem cells (hMSCs) to assess their suitability for bone tissue engineering and regeneration. The activity of insulin immobilized on the surfaces (DR/Pec/Ins) was compared to that of insulin dissolved in the culture medium. Human MSC grown on insulin-immobilized DR/Pec surfaces displayed increased proliferation and higher osteogenic activity. The latter was determined by means of alkaline phosphatase (ALP) activity, which increases at early stages of osteoblasts differentiation. Insulin dissolved in the culture medium did not stimulate cell proliferation and its osteogenic activity was significantly lower. Addition of recombinant human bone morphogenetic protein 2 (rhBMP-2) to the culture medium further increased ALP activity in hMSCs indicating additive osteogenic action of immobilized insulin and rhBMP-2

  15. Aerosol physicochemical effects on CCN activation simulated with the chemistry-climate model EMAC (United States)

    Chang, D. Y.; Lelieveld, J.; Tost, H.; Steil, B.; Pozzer, A.; Yoon, J.


    This study uses the EMAC atmospheric chemistry-climate model to simulate cloud properties with a prognostic cloud droplet nucleation scheme. We present modeled global distributions of cloud condensation nuclei (CCN) number concentrations and CCN activation rates, together with the effective hygroscopicity parameter κ, to describe the aerosol chemical composition effect on CCN activation. Large particles can easily activate into cloud droplets, even at low κ values due to the dominant size effect in cloud droplet formation. Small particles are less efficiently activated as CCN, and are more sensitive to aerosol composition and supersaturation. Since the dominant fraction of small particles generally originates from anthropogenic precursor emissions over land, this study focuses on the influence of the continental atmosphere, using a prognostic cloud droplet nucleation scheme that considers aerosol-cloud interactions during cloud formation, together with a double-moment cloud microphysics scheme. The agreement of simulated clouds and climate with observations generally improves over the Northern Hemisphere continents, particularly high air pollution regions such as Eastern US, Europe, East Asia by accounting for aerosol-cloud interactions that include impacts of chemical composition on CCN activation.

  16. Annual Report 1984. Chemistry Department

    DEFF Research Database (Denmark)

    Funck, Jytte; Nielsen, Ole John

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

  17. A proposal for teaching undergraduate chemistry students carbohydrate biochemistry by problem-based learning activities. (United States)

    Figueira, Angela C M; Rocha, Joao B T


    This article presents a problem-based learning (PBL) approach to teaching elementary biochemistry to undergraduate students. The activity was based on "the foods we eat." It was used to engage students' curiosity and to initiate learning about a subject that could be used by the future teachers in the high school. The experimental activities (8-12 hours) were related to the questions: (i) what does the Benedict's Reagent detect? and (ii) What is determined by glucose oxidase (GOD)? We also ask the students to compare the results with those obtained with the Lugol reagent, which detects starch. Usually, students inferred that the Benedict reagent detects reducing sugars, while GOD could be used to detect glucose. However, in GOD assay, an open question was left, because the results could be due to contamination of the sugars (particularly galactose) with glucose. Though not stressed, GOD does not oxidize the carbohydrates tested and all the positive results are due to contamination. The activities presented here can be easily done in the high school, because they are simple and non-expensive. Furthermore, in the case of Benedict reaction, it is possible to follow the reduction of Cu (II) "macroscopically" by following the formation of the brick-orange precipitate. The concrete observation of a chemical reaction can motivate and facilitate students understanding about chemistry of life. Copyright © 2013 by The International Union of Biochemistry and Molecular Biology.

  18. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    Energy Technology Data Exchange (ETDEWEB)

    Sych, N.V.; Trofymenko, S.I.; Poddubnaya, O.I.; Tsyba, M.M. [Institute for Sorption and Endoecology Problems, National Academy of Sciences of Ukraine, 13 General Naumov St., 03164 Kyiv (Ukraine); Sapsay, V.I.; Klymchuk, D.O. [M.G. Kholodny Institute of Botany, National Academy of Sciences of Ukraine, 2 Tereshchenkivska St., 01601 Kyiv (Ukraine); Puziy, A.M., E-mail: [Institute for Sorption and Endoecology Problems, National Academy of Sciences of Ukraine, 13 General Naumov St., 03164 Kyiv (Ukraine)


    Highlights: Black-Right-Pointing-Pointer Phosphoric acid activation results in formation of carbons with acidic surface groups. Black-Right-Pointing-Pointer Maximum amount of surface groups is introduced at impregnation ratio 1.25. Black-Right-Pointing-Pointer Phosphoric acid activated carbons show high capacity to copper. Black-Right-Pointing-Pointer Phosphoric acid activated carbons are predominantly microporous. Black-Right-Pointing-Pointer Maximum surface area and pore volume achieved at impregnation ratio 1.0. - Abstract: Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 Degree-Sign C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (S{sub BET} = 2081 m{sup 2}/g, V{sub tot} = 1.1 cm{sup 3}/g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0-2.6), weakly acidic carboxylic (pK = 4.7-5.0), enol/lactone (pK = 6.7-7.4; 8.8-9.4) and phenol (pK = 10.1-10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  19. Removal of Aromatic Pollutant Surrogate from Water by Recyclable Magnetite-Activated Carbon Nanocomposite: An Experiment for General Chemistry (United States)

    Furlan, Ping Y.; Melcer, Michael E.


    A general chemistry laboratory experiment using readily available chemicals is described to introduce college students to an exciting class of nanocomposite materials. In a one-step room temperature synthetic process, magnetite nanoparticles are embedded onto activated carbon matrix. The resultant nanocomposite has been shown to combine the…

  20. Teaching with the Case Study Method to Promote Active Learning in a Small Molecule Crystallography Course for Chemistry Students (United States)

    Campbell, Michael G.; Powers, Tamara M.; Zheng, Shao-Liang


    Implementing the case study method in a practical X-ray crystallography course designed for graduate or upper-level undergraduate chemistry students is described. Compared with a traditional lecture format, assigning small groups of students to examine literature case studies encourages more active engagement with the course material and…

  1. The Use of Molecular Modeling as "Pseudoexperimental" Data for Teaching VSEPR as a Hands-On General Chemistry Activity (United States)

    Martin, Christopher B.; Vandehoef, Crissie; Cook, Allison


    A hands-on activity appropriate for first-semester general chemistry students is presented that combines traditional VSEPR methods of predicting molecular geometries with introductory use of molecular modeling. Students analyze a series of previously calculated output files consisting of several molecules each in various geometries. Each structure…

  2. Design and evaluation of digital activating learning materials for Food Chemistry education.

    NARCIS (Netherlands)

    Diederen, J.


    Food chemistry is amongst others about the components and chemical reactions that are part of food products, about the effect of chemical reactions on the quality and about the techniques used to research food products. To support students in acquiring the knowledge and skills of food chemistry, in

  3. Confectionary Chemistry. (United States)

    Levine, Elise Hilf


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

  4. Chemistry Notes. (United States)

    School Science Review, 1983


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

  5. Invited award contribution for ACS Award in Inorganic Chemistry. Geometric and electronic structure contributions to function in bioinorganic chemistry: active sites in non-heme iron enzymes. (United States)

    Solomon, E I


    Spectroscopy has played a major role in the definition of structure/function correlations in bioinorganic chemistry. The importance of spectroscopy combined with electronic structure calculations is clearly demonstrated by the non-heme iron enzymes. Many members of this large class of enzymes activate dioxygen using a ferrous active site that has generally been difficult to study with most spectroscopic methods. A new spectroscopic methodology has been developed utilizing variable temperature, variable field magnetic circular dichroism, which enables one to obtain detailed insight into the geometric and electronic structure of the non-heme ferrous active site and probe its reaction mechanism on a molecular level. This spectroscopic methodology is presented and applied to a number of key mononuclear non-heme iron enzymes leading to a general mechanistic strategy for O2 activation. These studies are then extended to consider the new features present in the binuclear non-heme iron enzymes and applied to understand (1) the mechanism of the two electron/coupled proton transfer to dioxygen binding to a single iron center in hemerythrin and (2) structure/function correlations over the oxygen-activating enzymes stearoyl-ACP Delta9-desaturase, ribonucleotide reductase, and methane monooxygenase. Electronic structure/reactivity correlations for O2 activation by non-heme relative to heme iron enzymes will also be developed.

  6. Take-Home Challenges: Extending Discovery-Based Activities beyond the General Chemistry Classroom (United States)

    Mason, P. K.; Sarquis, A. M.


    In an effort to more effectively integrate the experimental nature of chemistry into our students' experiences, we are developing and implementing discovery-based activities into both the laboratory and lecture components of general chemistry. Below we describe and provide an example of a "take-home challenge" intended to supplement the lecture component of the course. These take-home challenges involve the student in chemistry exploration outside of class and extend the context of content and experimentation into a nontraditional laboratory environment. Over 25 take-home challenges have been developed to date. Preliminary evaluation of the impact of the take-home challenges shows that students reporting themselves as receiving a B or C grade in the course find the challenges very useful in helping them gain a conceptual understanding of the phenomena addressed. Students earning an A grade report little or no impact on their learning. Prepared as one-page handouts, each take-home challenge begins with a scene-setting introduction followed by pertinent background information, a list of materials to be collected, and any appropriate safety precautions. The exploration component of the activity integrates leading questions with the procedural instructions to help guide the students through the discovery process and challenge them to stretch their understanding of the chemistry. After completing a take-home challenge activity, students submit written reports containing responses to the questions posed, observations of data collected, and their responses to the challenge. The accompanying sample take-home challenge activity is provided as a novel adaptation of the belch phenomenon that challenges students to experiment in order to explain the factors that account for the observed behavior. Persons interested in field testing the take-home challenges with their classes should contact the authors. Belch Bottle Challenge: What factors are responsible for the behavior of a

  7. Arctic chlorine activation and ozone depletion: Comparison of chemistry transport models with satellite observations. (United States)

    Grooß, J.-U.; Wegner, T.; Müller, R.; Chipperfield, M. P.; Feng, W.; Santee, M. L.


    The accurate simulation of Arctic stratospheric ozone depletion has been an issue for two decades. However, there are still notable quantitative discrepancies between the models and observations. We show results from the SLIMCAT and CLaMS 3D chemistry-transport models that differ in some aspects of simulated chlorine activation and descent in the polar vortex. Consequently, the estimates of accumulated ozone depletion in the polar vortex for these two models in cold Arctic winters still largely disagree. As shown recently by Santee et al. (JGR, 2008) using MLS and ACE data, the extent of chlorine activation for the cold Arctic winter of 2004/2005 within the basic SLIMCAT model is overestimated with the likely consequence of too much simulated ozone depletion. In contrast, the CLaMS simulation for the same winter shows too little chlorine activation compared to observations, and therefore likely too little loss. For SLIMCAT the version used by Santee et al. has been updated to replace the equilibrium treatment of NAT PSCs with a Lagrangian microphysical scheme. This leads to smaller regions of NAT particles and less denitrification, in better agreement with observations. The impact of this on the modeled extent of chlorine activation will be discussed. For CLaMS we have changed the parameterization of heterogeneous reactions on liquid aerosols from Carslaw et al. to that of Shi et al. (2001), with which chlorine activation on liquid aerosol becomes more efficient. In turn, the simulated chlorine activation agrees better with the observations. The impact of these model changes on chlorine activation and ozone loss will be assessed and remaining model-observation discrepancies will be discussed in terms of different model formulations. We will also show the impact of recent lab measurements of Cl2O2 absorption cross sections by von Hobe et al. (2009) on the simulated ozone depletion. References: von Hobe, M., F. Stroh, H. Beckers, T. Benter, and H. Willner, The UV

  8. Boosting lithium storage in covalent organic framework via activation of 14-electron redox chemistry. (United States)

    Lei, Zhendong; Yang, Qinsi; Xu, Yi; Guo, Siyu; Sun, Weiwei; Liu, Hao; Lv, Li-Ping; Zhang, Yong; Wang, Yong


    Conjugated polymeric molecules have been heralded as promising electrode materials for the next-generation energy-storage technologies owing to their chemical flexibility at the molecular level, environmental benefit, and cost advantage. However, before any practical implementation takes place, the low capacity, poor structural stability, and sluggish ion/electron diffusion kinetics remain the obstacles that have to be overcome. Here, we report the synthesis of a few-layered two-dimensional covalent organic framework trapped by carbon nanotubes as the anode of lithium-ion batteries. Remarkably, upon activation, this organic electrode delivers a large reversible capacity of 1536 mAh g -1 and can sustain 500 cycles at 100 mA g -1 . Aided by theoretical calculations and electrochemical probing of the electrochemical behavior at different stages of cycling, the storage mechanism is revealed to be governed by 14-electron redox chemistry for a covalent organic framework monomer with one lithium ion per C=N group and six lithium ions per benzene ring. This work may pave the way to the development of high-capacity electrodes for organic rechargeable batteries.

  9. Active upper-atmosphere chemistry and dynamics from polar circulation reversal on Titan (United States)

    Teanby, Nicholas A.; Irwin, Patrick G. J.; Nixon, Conor A.; de Kok, Remco; Vinatier, Sandrine; Coustenis, Athena; Sefton-Nash, Elliot; Calcutt, Simon B.; Flasar, F. Michael


    Saturn's moon Titan has a nitrogen atmosphere comparable to Earth's, with a surface pressure of 1.4 bar. Numerical models reproduce the tropospheric conditions very well but have trouble explaining the observed middle-atmosphere temperatures, composition and winds. The top of the middle-atmosphere circulation has been thought to lie at an altitude of 450 to 500 kilometres, where there is a layer of haze that appears to be separated from the main haze deck. This `detached' haze was previously explained as being due to the co-location of peak haze production and the limit of dynamical transport by the circulation's upper branch. Here we report a build-up of trace gases over the south pole approximately two years after observing the 2009 post-equinox circulation reversal, from which we conclude that middle-atmosphere circulation must extend to an altitude of at least 600 kilometres. The primary drivers of this circulation are summer-hemisphere heating of haze by absorption of solar radiation and winter-hemisphere cooling due to infrared emission by haze and trace gases; our results therefore imply that these effects are important well into the thermosphere (altitudes higher than 500 kilometres). This requires both active upper-atmosphere chemistry, consistent with the detection of high-complexity molecules and ions at altitudes greater than 950 kilometres, and an alternative explanation for the detached haze, such as a transition in haze particle growth from monomers to fractal structures.

  10. Mentha suaveolens Ehrh. (Lamiaceae) Essential Oil and Its Main Constituent Piperitenone Oxide: Biological Activities and Chemistry. (United States)

    Božović, Mijat; Pirolli, Adele; Ragno, Rino


    Since herbal medicines play an important role in the treatment of a wide range of diseases, there is a growing need for their quality control and standardization. Mentha suaveolens Ehrh. (MS) is an aromatic herb with fruit and a spearmint flavor, used in the Mediterranean areas as a traditional medicine. It has an extensive range of biological activities, including cytotoxic, antimicrobial, antioxidant, anti-inflammatory, hypotensive and insecticidal properties, among others. This study aims to review the scientific findings and research reported to date on MS that prove many of the remarkable various biological actions, effects and some uses of this species as a source of bioactive natural compounds. On the other hand, piperitenone oxide (PO), the major chemical constituent of the carvone pathway MS essential oil, has been reported to exhibit numerous bioactivities in cells and animals. Thus, this integrated overview also surveys and interprets the present knowledge of chemistry and analysis of this oxygenated monoterpene, as well as its beneficial bioactivities. Areas for future research are suggested.

  11. Active Upper-atmosphere Chemistry and Dynamics from Polar Circulation Reversal on Titan (United States)

    Teanby, Nicholas A.; Irwin, Patrick Gerard Joseph; Nixon, Conor A.; DeKok, Remco; Vinatier, Sandrine; Coustenis, Athena; Sefton-Nash, Elliot; Calcutt, Simon B.; Flasar, Michael F.


    Saturn's moon Titan has a nitrogen atmosphere comparable to Earth's, with a surface pressure of 1.4 bar. Numerical models reproduce the tropospheric conditions very well but have trouble explaining the observed middle-atmosphere temperatures, composition and winds. The top of the middle-atmosphere circulation has been thought to lie at an altitude of 450 to 500 kilometres, where there is a layer of haze that appears to be separated from the main haze deck. This 'detached' haze was previously explained as being due to the colocation of peak haze production and the limit of dynamical transport by the circulation's upper branch. Herewe report a build-up of trace gases over the south pole approximately two years after observing the 2009 post-equinox circulation reversal, from which we conclude that middle-atmosphere circulation must extend to an altitude of at least 600 kilometres. The primary drivers of this circulation are summer-hemisphere heating of haze by absorption of solar radiation and winter-hemisphere cooling due to infrared emission by haze and trace gases; our results therefore imply that these effects are important well into the thermosphere (altitudes higher than 500 kilometres). This requires both active upper-atmosphere chemistry, consistent with the detection of high-complexity molecules and ions at altitudes greater than 950 kilometres, and an alternative explanation for the detached haze, such as a transition in haze particle growth from monomers to fractal structures.

  12. Fluorometric method for inorganic pyrophosphatase activity detection and inhibitor screening based on click chemistry. (United States)

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


    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.

  13. Calamintha nepeta (L. Savi and its Main Essential Oil Constituent Pulegone: Biological Activities and Chemistry

    Directory of Open Access Journals (Sweden)

    Mijat Božović


    Full Text Available Medicinal plants play an important role in the treatment of a wide range of diseases, even if their chemical constituents are not always completely recognized. Observations on their use and efficacy significantly contribute to the disclosure of their therapeutic properties. Calamintha nepeta (L. Savi is an aromatic herb with a mint-oregano flavor, used in the Mediterranean areas as a traditional medicine. It has an extensive range of biological activities, including antimicrobial, antioxidant and anti-inflammatory, as well as anti-ulcer and insecticidal properties. This study aims to review the scientific findings and research reported to date on Calamintha nepeta (L. Savi that prove many of the remarkable various biological actions, effects and some uses of this species as a source of bioactive natural compounds. On the other hand, pulegone, the major chemical constituent of Calamintha nepeta (L. Savi essential oil, has been reported to exhibit numerous bioactivities in cells and animals. Thus, this integrated overview also surveys and interprets the present knowledge of chemistry and analysis of this oxygenated monoterpene, as well as its beneficial bioactivities. Areas for future research are suggested

  14. Multistep continuous-flow synthesis in medicinal chemistry: discovery and preliminary structure-activity relationships of CCR8 ligands. (United States)

    Petersen, Trine P; Mirsharghi, Sahar; Rummel, Pia C; Thiele, Stefanie; Rosenkilde, Mette M; Ritzén, Andreas; Ulven, Trond


    A three-step continuous-flow synthesis system and its application to the assembly of a new series of chemokine receptor ligands directly from commercial building blocks is reported. No scavenger columns or solvent switches are necessary to recover the desired test compounds, which were obtained in overall yields of 49-94%. The system is modular and flexible, and the individual steps of the sequence can be interchanged with similar outcome, extending the scope of the chemistry. Biological evaluation confirmed activity on the chemokine CCR8 receptor and provided initial structure-activity-relationship (SAR) information for this new ligand series, with the most potent member displaying full agonist activity with single-digit nanomolar potency. To the best of our knowledge, this represents the first published example of efficient use of multistep flow synthesis combined with biological testing and SAR studies in medicinal chemistry. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Elaboration of Copper-Oxygen Mediated C–H Activation Chemistry in Consideration of Future Fuel and Feedstock Generation (United States)

    Lee, Jung Yoon; Karlin, Kenneth D


    To contribute solutions for current energy concerns, improvements in the efficiency of C-H bond cleavage chemistry, e.g., selective oxidation of methane to methanol, could minimize losses in natural gas usage or produce feedstocks for fuels. Oxidative C-H activation is also a component of polysaccharide degradation, affording alternative biofuels from abundant biomass. Thus, an understanding of active-site chemistry in copper monooxygenases, those activating strong C-H bonds is briefly reviewed. Then, recent advances in the synthesis-generation and study of various copper-oxygen intermediates are highlighted. Of special interest are cupric-superoxide, Cu-hydroperoxo and Cu-oxy complexes. Such investigations can contribute to an enhanced future application of C-H oxidation or oxygenation processes using air, as concerning societal energy goals. PMID:25756327

  16. Coordination chemistry and biological activity of 5'-OH modified quinoline-B12 derivatives. (United States)

    Zelenka, Karel; Brandl, Helmut; Spingler, Bernhard; Zelder, Felix


    The consequences of structural modifications at the 5'-OH ribofuranotide moiety of quinoline modified B12 derivatives are discussed in regard of the coordination chemistry, the electrochemical properties and the biological behaviour of the compound.

  17. "Green chemistry": os 12 princípios da química verde e sua inserção nas atividades de ensino e pesquisa Green chemistry: the 12 principles of green chemistry and it insertion in the teach and research activities

    Directory of Open Access Journals (Sweden)

    Eder João Lenardão


    Full Text Available Green chemistry ¾ defined as the design, development, and application of chemical processes and products to reduce or eliminate the use and generation of substances hazardous to human health and the environment. This article summarizes the 12 principles of green chemistry, describing how they have been applied to the academic, industrial and research activities around the world.

  18. "Green chemistry": os 12 princípios da química verde e sua inserção nas atividades de ensino e pesquisa Green chemistry: the 12 principles of green chemistry and it insertion in the teach and research activities


    Eder João Lenardão; Rogério Antônio Freitag; Dabdoub, Miguel J.; Antônio C. Ferreira Batista; Claudio da Cruz Silveira


    Green chemistry ¾ defined as the design, development, and application of chemical processes and products to reduce or eliminate the use and generation of substances hazardous to human health and the environment. This article summarizes the 12 principles of green chemistry, describing how they have been applied to the academic, industrial and research activities around the world.

  19. Secondary School Chemistry Teacher's Current Use of Laboratory Activities and the Impact of Expense on Their Laboratory Choices (United States)

    Boesdorfer, Sarah B.; Livermore, Robin A.


    In the United States with the Next Generation Science Standards (NGSS)'s emphasis on learning science while doing science, laboratory activities in the secondary school chemistry continues to be an important component of a strong curriculum. Laboratory equipment and consumable materials create a unique expense which chemistry teachers and schools…

  20. Activity theory as a tool to address the problem of chemistry's lack of relevance in secondary school chemical education (United States)

    van Aalsvoort, Joke

    In a previous article, the problem of chemistry's lack of relevance in secondary chemical education was analysed using logical positivism as a tool. This article starts with the hypothesis that the problem can be addressed by means of activity theory, one of the important theories within the sociocultural school. The reason for this expectation is that, while logical positivism creates a divide between science and society, activity theory offers a model of society in which science and society are related. With the use of this model, a new course for grade nine has been constructed. This results in a confirmation of the hypothesis, at least at a theoretical level. A comparison with the Salters' approach is made in order to demonstrate the relative merits of a mediated way of dealing with the problem of the lack of relevance of chemistry in chemical education.

  1. Ciprofloxacin adsorption on graphene and granular activated carbon: kinetics, isotherms, and effects of solution chemistry. (United States)

    Zhu, Xuan; Tsang, Daniel C W; Chen, Feng; Li, Shiyu; Yang, Xin


    Ciprofloxacin (CIP) is a commonly used antibiotic and widely detected in wastewaters and farmlands nowadays. This study evaluated the efficacy of next-generation adsorbent (graphene) and conventional adsorbent (granular activated carbon, GAC) for CIP removal. Batch experiments and characterization tests were conducted to investigate the adsorption kinetics, equilibrium isotherms, thermodynamic properties, and the influences of solution chemistry (pH, ionic strength, natural organic matter (NOM), and water sources). Compared to GAC, graphene showed significantly faster adsorption and reached equilibrium within 3 min, confirming the rapid access of CIP into the macroporous network of high surface area of graphene as revealed by the Brunner-Emmet-Teller measurements analysis. The kinetics was better described by a pseudo-second-order model, suggesting the importance of the initial CIP concentration related to surface site availability of graphene. The adsorption isotherm on graphene followed Langmuir model with a maximum adsorption capacity of 323 mg/g, which was higher than other reported carbonaceous adsorbents. The CIP adsorption was thermodynamically favourable on graphene and primarily occurred through π - π interaction, according to the FTIR spectroscopy. While the adsorption capacity of graphene decreased with increasing solution pH due to the speciation change of CIP, the adverse effects of ionic strength (0.01-0.5 mol L(-1)), presence of NOM (5 mg L⁻¹), and different water sources (river water or drinking water) were less significant on graphene than GAC. These results indicated that graphene can serve as an alternative adsorbent for CIP removal in commonly encountered field conditions, if proper separation and recovery is available in place.

  2. Plants, Pollution and Public Engagement with Atmospheric Chemistry: Sharing the TEMPO Story Through Ozone Garden Activities (United States)

    Reilly, L. G.; Pippin, M. R.; Malick, E.; Summers, D.; Dussault, M. E.; Wright, E. A.; Skelly, J.


    What do a snap-bean plant and a future NASA satellite instrument named TEMPO have in common? They are both indicators of the quality of the air we breathe. Scientists, educators, and museum and student collaborators of the Tropospheric Emissions: Monitoring Pollution (TEMPO) instrument team are developing a program model to engage learners of all ages via public ozone garden exhibits and associated activities. TEMPO, an ultraviolet and visible spectroscopy instrument due for launch on a geostationary host satellite between 2019 and 2021, will scan North America hourly to measure the major elements in the tropospheric ozone chemistry cycle, providing near real-time data with high temporal and spatial resolution. The TEMPO mission provides a unique opportunity to share the story of the effects of air quality on living organisms. A public ozone garden exhibit affords an accessible way to understand atmospheric science through a connection with nature, while providing a visual representation of the impact of ozone pollution on living organisms. A prototype ozone garden exhibit was established at the Virginia Living Museum in partnership with NASA Langley, and has served as a site to formatively evaluate garden planting and exhibit display protocols, hands-on interpretive activities, and citizen science data collection protocols for learners as young as 3 to 10 as well as older adults. The fun and engaging activities, optimized for adult-child interaction in informal or free-choice learning environments, are aimed at developing foundational science skills such as observing, comparing, classifying, and collecting and making sense of data in the context of thinking about air quality - all NGSS-emphasized scientific practices, as well as key capabilities for future contributing members of the citizen science community. As the launch of TEMPO approaches, a major public engagement effort will include disseminating this ozone garden exhibit and program model to a network of

  3. Organization of a cognitive activity of students when teaching analytical chemistry

    Directory of Open Access Journals (Sweden)

    А. Tapalova


    Full Text Available Qualitative analysis allows using basic knowledge of general and inorganic chemistry for the solution of practical problems, disclosure the chemism of the processes that are fundamental for  the methods of analysis. Systematic qualitative analysis develops analytical thinking, establishes a scientific style of thinking of students.Сhemical analysis requires certain skills and abilities and develops the general chemical culture of the future teachers оn chemistry. The result can be evaluated in the course of self-control, peer review, and solving creative problems. Mastering the techniques of critical thinking (comparison, abstraction, generalization and their use in a particular chemical material - are necessary element in the formation of professional thinking of the future chemistry teacher.

  4. Bad chemistry


    Petsko, Gregory A


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

  5. Chemistry of energetically activated cumulenes - from allene (H2CCCH2) to hexapentaene (H2CCCCCCH2). (United States)

    Gu, Xibin; Kaiser, Ralf I; Mebel, Alexander M


    During the last decade, experimental and theoretical studies on the unimolecular decomposition of cumulenes (H(2)C(n)H(2)) from propadiene (H(2)CCCH(2)) to hexapentaene (H(2)CCCCCCH(2)) have received considerable attention due to the importance of these carbon-bearing molecules in combustion flames, chemical vapor deposition processes, atmospheric chemistry, and the chemistry of the interstellar medium. Cumulenes and their substituted counterparts also have significant technical potential as elements for molecular machines (nanomechanics), molecular wires (nano-electronics), nonlinear optics, and molecular sensors. In this review, we present a systematic overview of the stability, formation, and unimolecular decomposition of chemically, photo-chemically, and thermally activated small to medium-sized cumulenes in extreme environments. By concentrating on reactions under gas phase thermal conditions (pyrolysis) and on molecular beam experiments conducted under single-collision conditions (crossed beam and photodissociation studies), a comprehensive picture on the unimolecular decomposition dynamics of cumulenes transpires.

  6. Development and Use of Online Prelaboratory Activities in Organic Chemistry to Improve Students' Laboratory Experience (United States)

    Chaytor, Jennifer L.; Al Mughalaq, Mohammad; Butler, Hailee


    Online prelaboratory videos and quizzes were prepared for all experiments in CHEM 231, Organic Chemistry I Laboratory. It was anticipated that watching the videos would help students be better prepared for the laboratory, decrease their anxiety surrounding the laboratory, and increase their understanding of the theories and concepts presented.…

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

    Lech, Jenna; Dounin, Vladimir


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

  8. Derivatization chemistry of the double-decker dicobalt sandwich ion targeted to design biologically active substances

    Czech Academy of Sciences Publication Activity Database

    Grüner, Bohumír; Švec, Petr; Hájková, Zuzana; Císařová, I.; Pokorná, Jana; Konvalinka, Jan


    Roč. 84, č. 11 (2012), s. 2243-2262 ISSN 0033-4545 R&D Projects: GA AV ČR IAAX00320901 Institutional support: RVO:61388980 ; RVO:61388963 Keywords : AIDS treatment * boranes * canastide ion * carboranes * dicarbollides * HIV -protease Subject RIV: CA - Inorganic Chemistry Impact factor: 3.386, year: 2012

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


    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…

  10. Activity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry. (United States)

    Medina-Franco, José L; Navarrete-Vázquez, Gabriel; Méndez-Lucio, Oscar


    Property landscape modeling (PLM) methods are at the interface of experimental sciences and computational chemistry. PLM are becoming a common strategy to describe systematically structure-property relationships of datasets. Thus far, PLM have been used mainly in medicinal chemistry and drug discovery. Herein, we survey advances on key topics on PLM with emphasis on questions often raised regarding the outcomes of the property landscape studies. We also emphasize on concepts of PLM that are being extended to other experimental areas beyond drug discovery. Topics discussed in this paper include applications of PLM to further characterize protein-ligand interactions, the utility of PLM as a quantitative and descriptive approach, and the statistical validation of property cliffs.

  11. Liaison activities with the Institute of Physcial Chemistry of the Russian Academy of Sciences: Midyear report

    Energy Technology Data Exchange (ETDEWEB)

    Delegard, C.H.


    The task `IPC/RAS Liaison and Tank Waste Testing` is a program being conducted in fiscal year (FY) 1996 with the support of the U.S. Department of Energy (DOE) Office of Science and Technology, EM-53 Efficient Separations and Processing (ESP) Crosscutting Program, under the technical task plan (TTP) RLA6C342. The principal investigator is Cal Delegard of the Westinghouse Hanford Company. The task involves a technical liaison with the Institute of Physical Chemistry of the Russian Academy of Sciences (IPC/RAS) and their DOE-supported investigations into the fundamental and applied chemistry of the transuranium elements (primarily neptunium, plutonium, and americium) and technetium in @ine media. The task has three purposes: 1. Providing technical information and technical direction to the IPC/RAS. 2. Disseminating IPC/RAS data and information to the DOE technical community. 3. Verifying IPC/RAS results through laboratory testing and comparison with published data.

  12. Liaison activities with the institute of physical chemistry, Russian academy of sciences: FY 1996

    Energy Technology Data Exchange (ETDEWEB)

    Delegard, C.H.


    The task ``IPC/RAS Liaison and Tank Waste Testing`` is a program being conducted in fiscal year (FY) 1996 with the support of the U.S. Department of Energy (DOE) Office of Science and Technology, EM-53 Efficient Separations and Processing (ESP) Crosscutting Program, under the technical task plan RLA6C342. The principal investigator is Cal Delegard of the Westinghouse Hanford Company. The task involves a technical liaison with the Institute of Physical Chemistry of the Russian Academy of Sciences (IPC/RAS) and their DOE-supported investigations into the fundamental and applied chemistry of the transuranium elements (primarily neptunium, plutonium, and americium) and technetium in alkaline media. The task has three purposes: 1. Providing technical information and technical direction to the IPC/RAS. 2. Disseminating IPC/RAS data and information to the DOE technical community. 3. Verifying IPC/RAS results through laboratory testing and comparison with published data. This report fulfills the milestone ``Provide End-of-Year Report to Focus Area,`` due September 30, 1996.

  13. Diversity in Medicinal Chemistry. (United States)

    Peralta, David


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

  14. Litter chemistry prevails over litter consumers in mediating effects of past steel industry activities on leaf litter decomposition. (United States)

    Lucisine, Pierre; Lecerf, Antoine; Danger, Michaël; Felten, Vincent; Aran, Delphine; Auclerc, Apolline; Gross, Elisabeth M; Huot, Hermine; Morel, Jean-Louis; Muller, Serge; Nahmani, Johanne; Maunoury-Danger, Florence


    Soil pollution has adverse effects on the performance and life history traits of microorganisms, plants, and animals, yet evidence indicates that even the most polluted sites can support structurally-complex and dynamic ecosystems. The present study aims at determining whether and how litter decomposition, one of the most important soil ecological processes leaf, is affected in a highly trace-metal polluted site. We postulated that past steel mill activities resulting in soil pollution and associated changes in soil characteristics would influence the rate of litter decomposition through two non-exclusive pathways: altered litter chemistry and responses of decomposers to lethal and sub-lethal toxic stress. We carried out a litter-bag experiment using Populus tremula L. leaf litter collected at, and allowed to decompose in, a trace metal polluted site and in three unpolluted sites used as controls. We designed a fully-factorial transplant experimental design to assess effects of litter origin and exposure site on the rate of litter decomposition. We further determined initial litter chemistry, fungal biomass, mesofauna abundance in litter bags, and the soil macrofauna community. Irrespective of the site of litter exposure, litter originating from the polluted site had a two-fold faster decomposition than litter from the unpolluted sites. Litter chemistry, notably the lignin content, seemed most important in explaining the degradation rate of the leaf litter. Abundance of meso and macro-detritivores was higher at the polluted site than at the unpolluted sites. However, litter decomposition proceeded at similar rates in polluted and unpolluted sites. Our results show that trace metal pollution and associated soil and litter changes do not necessarily weaken consumer control on litter decomposition through lethal and sub-lethal toxic stress. Copyright © 2015. Published by Elsevier B.V.

  15. Well-Defined Molybdenum Oxo Alkyl Complex Supported on Silica by Surface Organometallic Chemistry: A Highly Active Olefin Metathesis Precatalyst

    KAUST Repository

    Merle, Nicolas


    The well-defined silica-supported molybdenum oxo alkyl species (SiO−)MoO(CH Bu) was selectively prepared by grafting of MoO(CH Bu)Cl onto partially dehydroxylated silica (silica) using the surface organometallic chemistry approach. This surface species was fully characterized by elemental analysis and DRIFT, solid-state NMR, and EXAFS spectroscopy. This new material is related to the active species of industrial supported MoO/SiO olefin metathesis catalysts. It displays very high activity in propene self-metathesis at mild (turnover number = 90 000 after 25 h). Remarkably, its catalytic performance outpaces those of the parent imido derivative and its tungsten oxo analogue.

  16. Well-Defined Molybdenum Oxo Alkyl Complex Supported on Silica by Surface Organometallic Chemistry: A Highly Active Olefin Metathesis Precatalyst. (United States)

    Merle, Nicolas; Le Quéméner, Frédéric; Bouhoute, Yassine; Szeto, Kai C; De Mallmann, Aimery; Barman, Samir; Samantaray, Manoja K; Delevoye, Laurent; Gauvin, Régis M; Taoufik, Mostafa; Basset, Jean-Marie


    The well-defined silica-supported molybdenum oxo alkyl species (≡SiO-)MoO(CH2tBu)3 was selectively prepared by grafting of MoO(CH2tBu)3Cl onto partially dehydroxylated silica (silica700) using the surface organometallic chemistry approach. This surface species was fully characterized by elemental analysis and DRIFT, solid-state NMR, and EXAFS spectroscopy. This new material is related to the active species of industrial supported MoO3/SiO2 olefin metathesis catalysts. It displays very high activity in propene self-metathesis at mild (turnover number = 90 000 after 25 h). Remarkably, its catalytic performance outpaces those of the parent imido derivative and its tungsten oxo analogue.

  17. Synthesis of amphiphilic aminated inulin via 'click chemistry' and evaluation for its antibacterial activity. (United States)

    Dong, Fang; Zhang, Jun; Yu, Chunwei; Li, Qing; Ren, Jianming; Wang, Gang; Gu, Guodong; Guo, Zhanyong


    Inulins are a group of abundant, water-soluble, renewable polysaccharides, which exhibit attractive bioactivities and natural properties. Improvement such as chemical modification of inulin is often performed prior to further utilization. We hereby presented a method to modify inulin at its primary hydroxyls to synthesize amphiphilic aminated inulin via 'click chemistry' to facilitate its chemical manipulation. Additionally, its antibacterial property against Staphylococcus aureus (S. aureus) was also evaluated and the best inhibitory index against S. aureus was 58% at 1mg/mL. As the amphiphilic aminated inulin is easy to prepare and exhibits improved bioactivity, this material may represent as an attractive new platform for chemical modifications of inulin. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Active and Widespread Halogen Chemistry in the Tropical and Subtropical Free Troposphere (United States)

    Wang, Siyuan; Schmidt, Johan A.; Baidar, Sunil; Coburn, Sean; Dix, Barbara; Koenig, Theodore K.; Apel, Eric; Bowdalo, Dene; Campos, Teresa; Eloranta, Ed; hide


    Halogens in the troposphere are increasingly recognized as playing an important role for atmospheric chemistry, and possibly climate. Bromine and iodine react catalytically to destroy ozone (O3), oxidize mercury, and modify oxidative capacity that is relevant for the lifetime of greenhouse gases. Most of the tropospheric O3 and methane (CH4) loss occurs at tropical latitudes. Here we report simultaneous measurements of vertical profiles of bromine oxide (BrO) and iodine oxide (IO) in the tropical and subtropical free troposphere (10degN to 40degS), and show that these halogens are responsible for 34% of the column-integrated loss of tropospheric O3. The observed BrO concentrations increase strongly with altitude (approx.3.4 pptv at 13.5 km), and are 2-4 times higher than predicted in the tropical free troposphere. BrO resembles model predictions more closely in stratospheric air. The largest model low bias is observed in the lower tropical transition layer (TTL) over the tropical eastern Pacific Ocean, and may reflect a missing inorganic bromine source supplying an additional 2.5-6.4 pptv total inorganic bromine (Bry), or model overestimated Bry wet scavenging. Our results highlight the importance of heterogeneous chemistry on ice clouds, and imply an additional Bry source from the debromination of sea salt residue in the lower TTL. The observed levels of bromine oxidize mercury up to 3.5 times faster than models predict, possibly increasing mercury deposition to the ocean. The halogen-catalyzed loss of tropospheric O3 needs to be considered when estimating past and future ozone radiative effects.

  19. Surface chemistry of Au/TiO2: Thermally and photolytically activated reactions (United States)

    Panayotov, Dimitar A.; Morris, John R.


    The fascinating particle size dependence to the physical, photophysical, and chemical properties of gold has motivated thousands of studies focused on exploring the ability of supported gold nanoparticles to catalyze chemical transformations. In particular, titanium dioxide-supported gold (Au/TiO2) nanoparticles may provide the right combination of electronic structure, structural dynamics, and stability to affect catalysis in important practical applications from environmental remediation to selective hydrogenation to carbon monoxide oxidation. Harnessing the full potential of Au/TiO2 will require a detailed atomic-scale understanding of the thermal and photolytic processes that accompany chemical conversion. This review describes some of the unique properties exhibited by particulate gold before delving into how those properties affect chemistry on titania supports. Particular attention is given first to thermally driven reactions on single crystal system. This review then addresses nanoparticulate samples in an effort begin to bridge the so-called materials gap. Building on the foundation provided by the large body of work in the field of thermal catalysis, the review describes new research into light-driven catalysis on Au/TiO2. Importantly, the reader should bear in mind throughout this review that thermal chemistry and thermal effects typically accompany photochemistry. Distinguishing between thermally-driven stages of a reaction and photo-induced steps remains a significant challenge, but one that experimentalists and theorists are beginning to decipher with new approaches. Finally, a summary of several state-of-the-art studies describes how they are illuminating new frontiers in the quest to exploit Au/TiO2 as an efficient catalyst and low-energy photocatalyst.

  20. Students' Perceptions of Teaching in Context-Based and Traditional Chemistry Classrooms: Comparing Content, Learning Activities, and Interpersonal Perspectives (United States)

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


    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,…

  1. High Structure Active Learning Pedagogy for the Teaching of Organic Chemistry: Assessing the Impact on Academic Outcomes (United States)

    Crimmins, Michael T.; Midkiff, Brooke


    Organic Chemistry is a required course for programs in chemistry, biology, and many health science careers. It has historically been considered a highly challenging course with significant failure rates. As with many science disciplines, the teaching of Organic Chemistry has traditionally focused on unstructured exposition-centered delivery of…

  2. Chemistry Dashboard (United States)

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

  3. Reduction of68Ge activity containing liquid waste from68Ga PET chemistry in nuclear medicine and radiopharmacy by solidification. (United States)

    de Blois, Erik; Chan, Ho Sze; Roy, Kamalika; Krenning, Eric P; Breeman, Wouter A P

    PET with 68 Ga from the TiO 2 - or SnO 2 - based 68 Ge/ 68 Ga generators is of increasing interest for PET imaging in nuclear medicine. In general, radionuclidic purity ( 68 Ge vs. 68 Ga activity) of the eluate of these generators varies between 0.01 and 0.001%. Liquid waste containing low amounts of 68 Ge activity is produced by eluting the 68 Ge/ 68 Ga generators and residues from PET chemistry. Since clearance level of 68 Ge activity in waste may not exceed 10 Bq/g, as stated by European Directive 96/29/EURATOM, our purpose was to reduce 68 Ge activity in solution from >10 kBq/g to waste. Most efficient method to reduce the 68 Ge activity is by sorption of TiO 2 or Fe 2 O 3 and subsequent centrifugation. The required 10 Bq per mL level of 68 Ge activity in waste was reached by Fe 2 O 3 logarithmically, whereas with TiO 2 asymptotically. The procedure with Fe 2 O 3 eliminates ≥90% of the 68 Ge activity per treatment. Eventually, to simplify the processing a recirculation system was used to investigate 68 Ge activity sorption on TiO 2 , Fe 2 O 3 or Zeolite. Zeolite was introduced for its high sorption at low pH, therefore 68 Ge activity containing waste could directly be used without further interventions. 68 Ge activity containing liquid waste at different HCl concentrations (0.05-1.0 M HCl), was recirculated at 1 mL/min. With Zeolite in the recirculation system, 68 Ge activity showed highest sorption.

  4. Adsorption of a Textile Dye on Commercial Activated Carbon: A Simple Experiment to Explore the Role of Surface Chemistry and Ionic Strength (United States)

    Martins, Angela; Nunes, Nelson


    In this study, an adsorption experiment is proposed using commercial activated carbon as adsorbent and a textile azo dye, Mordant Blue-9, as adsorbate. The surface chemistry of the activated carbon is changed through a simple oxidation treatment and the ionic strength of the dye solution is also modified, simulating distinct conditions of water…

  5. Division of Analytical Chemistry, 1998

    DEFF Research Database (Denmark)

    Hansen, Elo Harald


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

  6. Prebiotic Chemistry and Atmospheric Warming of Early Earth by an Active Young Sun (United States)

    Airapetian, V. S.; Glocer, A.; Gronoff, G.; Hebrard, E.; Danchi, W.


    Nitrogen is a critical ingredient of complex biological molecules. Molecular nitrogen, however, which was outgassed Into the Earth's early atmosphere, is relatively chemically inert and nitrogen fixation into more chemically reactive compounds requires high temperatures. Possible mechanisms of nitrogen fixation include lightning, atmospheric shock heating by meteorites, and solar ultraviolet radiation. Here we show that nitrogen fixation in the early terrestrial atmosphere can be explained by frequent and powerful coronal mass ejection events from the young Sun -- so-called superflares. Using magnetohydrodynamic simulations constrained by Kepler Space Telescope observations, we find that successive superflare ejections produce shocks that accelerate energetic particles, which would have compressed the early Earth's magnetosphere. The resulting extended polar cap openings provide pathways for energetic particles to penetrate into the atmosphere and, according to our atmospheric chemistry simulations, initiate reactions converting molecular nitrogen, carbon dioxide and methane to the potent greenhouse gas nitrous oxide as well as hydrogen cyanide, an essential compound for life. Furthermore, the destruction of N2, C02 and CH, suggests that these greenhouse gases cannot explain the stability of liquid water on the early Earth. Instead, we propose that the efficient formation of nitrous oxide could explain a warm early Earth.

  7. Mathematical problems for chemistry students

    CERN Document Server

    Pota, Gyorgy


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

  8. Chemistry with a Peel. (United States)

    Borer, Londa; Larsen, Eric


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

  9. Chemistry and radiochemistry of As, Re and Rh isotopes relevant to radiopharmaceutical applications: high specific activity radionuclides for imaging and treatment. (United States)

    Feng, Yutian; Phelps, Tim E; Carroll, Valerie; Gallazzi, Fabio; Sieckman, Gary; Hoffman, Timothy J; Barnes, Charles L; Ketring, Alan R; Hennkens, Heather M; Jurisson, Silvia S


    The chemistry and radiochemistry of high specific activity radioisotopes of arsenic, rhenium and rhodium are reviewed with emphasis on University of Missouri activities over the past several decades, and includes recent results. The nuclear facilities at the University of Missouri (10 MW research reactor and 16.5 MeV GE PETtrace cyclotron) allow research and development into novel theranostic radionuclides. The production, separation, enriched target recovery, radiochemistry, and chelation chemistry of 72,77 As, 186,188 Re and 105 Rh are discussed.

  10. More Chemistry in a Soda Bottle: A Conservation of Mass Activity (United States)

    Duffy, Daniel Q.; Shaw, Stephanie A.; Bare, William O.; Goldsby, Kenneth A.


    A simple activity designed to illustrate conservation of mass is reported. The activity uses a two-liter soda bottle to contain the products of a gas-evolving reaction. While any number of gas-evolving reactions could be used in this activity, a specific procedure for vinegar and baking soda is given since these materials present nominal hazards and are readily available to K-12 teachers.


    Directory of Open Access Journals (Sweden)

    Enade Perdana Istyastono


    Full Text Available The Quantitative Structure-Activity Relationship (QSAR study was established on curcumin and its derivatives as glutathione S-transferase(s (GSTs inhibitors using atomic net charges as the descriptors. The charges were resulted by semiempirical AM1 and PM3 quantum-chemical calculations using computational chemistry approach. The inhibition activity was expressed as the concentration that gave 50% inhibition of GSTs activity (IC50. The selection of the best QSAR equation models was determined by multiple linear regression analysis. This research was related to the nature of GSTs as multifunctional enzymes, which play an important role in the detoxification of electrophilic compounds, the process of inflammation and the effectivity of anticancer compounds. The result showed that AM1 semiempirical method gave better descriptor for the construction of QSAR equation model than PM3 did. The best QSAR equation model was described by : log 1/IC50 = -2,238 - 17,326 qC2' + 1,876 qC4' + 9,200 qC6' The equation was significant at 95% level with statistical parameters : n = 10, m = 3, r­ = 0,839, SE = 0,254, F = 4,764, F/Ftable = 1,001.   Keywords: QSAR analysis, curcumin, glutathione S-transferase(s (GSTs, atomic net charge

  12. 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


    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.

  13. Do distinct water chemistry, reservoir age and disturbance make any difference on phosphatase activity?

    Directory of Open Access Journals (Sweden)

    Maria-José BOAVIDA


    Full Text Available Alkaline phosphatase activity was assessed concomitantly with total phosphorus, orthophosphate and phosphomonoester concentrations in two meso-eutrophic reservoirs with distinct age and subjected to different kinds of environmental influence. Differences in conductivity, temperature and pH were found. However, during the study period alkaline phosphatase activity was similar in both reservoirs. Water colour was higher in S. Serrada Reservoir. This fact can be related to (1 reservoir age (2 high internal disturbance (3 large imputs of allochthonous detritus, resulting from the combined effect of grazing, fire and catchment slope. Despite the high water colour recorded in S. Serrada, alkaline phosphatase activity was apparently not inactivated by humic substances. Besides, the obtained results demonstrated that hydrolysis of phosphomonoesters by alkaline phosphatase was not important for orthophosphate regeneration in these reservoirs. Probably orthophosphate was always available to biota. In fact, in the experiments based on Selenastrum capricornutum Printz algal test, similar phytoplankton growth responses were obtained for different phosphorus concentrations. Thus, these results seem to indicate that phosphorus was not a limiting nutrient in either reservoir. Although phosphatase activity was significantly correlated with some phytoplankton genera in both reservoirs, no significant correlations were found between enzyme activity and chlorophyll-a. Significant correlations between phosphatase activity and crustacean zooplankton were only recorded in S. Serrada. In spite of these results there was some indication that the main source of phosphatase might have been bacteria involved in decomposition processes instead of phyto- and zooplankton taxa

  14. Surface Activity and Bulk Defect Chemistry of Solid Oxide Fuel Cell Cathodes (United States)

    Usiskin, Robert Ezra

    In the first half of this thesis, a new robotic instrument called a scanning impedance probe is presented that can acquire electrochemical impedance spectra in automated fashion from hundreds of thin film microelectrodes with systematically varied properties. Results from this instrument are presented for three catalyst compositions that are commonly considered for use in state-of-the-art solid oxide fuel cell cathodes. For (La0.8Sr0.2) 0.95MnO3+delta; (LSM), the impedance spectra are well fit by a through-the-film reaction pathway. Transport rates are extracted, and the surface activity towards oxygen reduction is found to be correlated with the number of exposed grain boundary sites, suggesting that grain boundaries are more surface-active than grains. For La0.5Sr0.5CoO 3-delta; (LSC), the surface activity degrades 50x initially and then stabilizes at a comparable activity to that of previously measured Ba 0.5Sr0.5Co0.8Fe0.2O3-delta; films. For Sr0.06Nb0.06Bi1.87O3 (SNB), an example of a doped bismuth oxide, the activity of the metal-SNB boundary is measured. In the second half of this thesis, SrCo0.9Nb0.1O 3-delta; is selected as a case study of perovskites containing Sr and Co, which are the most active oxygen reduction catalysts known. Several bulk properties are measured, and synchrotron data are presented that provide strong evidence of substantial cobalt-oxygen covalency at high temperatures. This covalent bonding may be the underlying source of the high surface activity.

  15. Antibacterial activity of biochemically capped iron oxide nanoparticles: A view towards green chemistry. (United States)

    Irshad, Rabia; Tahir, Kamran; Li, Baoshan; Ahmad, Aftab; R Siddiqui, Azka; Nazir, Sadia


    A green approach to fabricate nanoparticles has been evolved as a revolutionary discipline. Eco-compatible reaction set ups, use of non-toxic materials and production of highly active biological and photocatalytic products are few benefits of this greener approach. Here, we introduce a green method to synthesize Fe oxide NPs using Punica granatum peel extract. The formation of Fe oxide NPs was optimized using different concentrations of peel extract (20mL, 40mL and 60mL) to achieve small size and better morphology. The results indicate that the FeNPs, obtained using 40mL concentration of peel extract possess the smallest size. The morphology, size and crystallinity of NPs was confirmed by implementing various techniques i.e. UV-Vis spectroscopy, X-ray diffraction, Scanning Electron Microscopy and Electron Diffraction Spectroscopy. The bio-chemicals responsible for reduction and stabilization of FeNPs were confirmed by FT-IR analysis. The biogenic FeNPs were tested for their size dependent antibacterial activity. The biogenic FeNPs prepared in 40mL extract concentrations exhibited strongest antibacterial activity against Pseudomonas aeruginosa i.e. 22 (±0.5) mm than FeNPs with 20mL and 60mL extract concentrations i.e. 18 (±0.4) mm and 14 (±0.3) mm respectively. The optimized FeNPs with 40mL peel extract are not only highly active for ROS generation but also show no hemolytic activity. Thus, FeNPs synthesized using the greener approach are found to have high antibacterial activity along with biocompatibility. This high antibacterial activity can be referred to small size and large surface area. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Immobilization chemistries. (United States)

    Todt, Sascha; Blohm, Dietmar H


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

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

    Adane, Kasaw; Abiy, Zenegnaw; Desta, Kassu


    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

  18. Adverse effects of erythromycin on the structure and chemistry of activated sludge

    Energy Technology Data Exchange (ETDEWEB)

    Louvet, J.N.; Giammarino, C.; Potier, O. [Laboratoire des Sciences du Genie Chimique-CNRS, Nancy University, INPL, 1, rue Grandville, BP 20451, F-54001 Nancy Cedex (France); Pons, M.N., E-mail: marie-noelle.pons@ensic.inpl-nancy.f [Laboratoire des Sciences du Genie Chimique-CNRS, Nancy University, INPL, 1, rue Grandville, BP 20451, F-54001 Nancy Cedex (France)


    This study examines the effects of erythromycin on activated sludge from two French urban wastewater treatment plants (WWTPs). Wastewater spiked with 10 mg/L erythromycin inhibited the specific evolution rate of chemical oxygen demand (COD) by 79% (standard deviation 34%) and the specific N-NH{sub 4}{sup +} evolution rate by 41% (standard deviation 25%). A temporary increase in COD and tryptophan-like fluorescence, as well as a decrease in suspended solids, were observed in reactors with wastewater containing erythromycin. The destruction of activated sludge flocs was monitored by automated image analysis. The effect of erythromycin on nitrification was variable depending on the sludge origin. Erythromycin inhibited the specific nitrification rate in sludge from one WWTP, but increased the nitrification rate at the other facility. - Erythromycin toxicity on activated sludge is expected to reduce pollution removal.

  19. Fighting Fenton Chemistry: A Highly Active Iron(III) Tetracarbene Complex in Epoxidation Catalysis. (United States)

    Kück, Jens W; Anneser, Markus R; Hofmann, Benjamin; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E


    Organometallic Fe complexes with exceptionally high activities in homogeneous epoxidation catalysis are reported. The compounds display Fe(II) and Fe(III) oxidation states and bear a tetracarbene ligand. The more active catalyst exhibits activities up to 183 000 turnovers per hour at room temperature and turnover numbers of up to 4300 at -30 °C. For the Fe(III) complex, a decreased Fenton-type reactivity is observed compared with Fe(II) catalysts reported previously as indicated by a substantially lower H2 O2 decomposition and higher (initial) turnover frequencies. The dependence of the catalyst performance on the catalyst loading, substrate, water addition, and the oxidant is investigated. Under all applied conditions, the advantageous nature of the use of the Fe(III) complex is evident. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Electrochemical Sensing, Photocatalytic and Biological Activities of ZnO Nanoparticles: Synthesis via Green Chemistry Route (United States)

    Yadav, L. S. Reddy; Archana, B.; Lingaraju, K.; Kavitha, C.; Suresh, D.; Nagabhushana, H.; Nagaraju, G.


    In this paper, we have successfully synthesized ZnO nanoparticles (Nps) via solution combustion method using sugarcane juice as the novel fuel. The structure and morphology of the synthesized ZnO Nps have been analyzed using various analytical tools. The synthesized ZnO Nps exhibit excellent photocatalytic activity for the degradation of methylene blue dye, indicating that the ZnO Nps are potential photocatalytic semiconductor materials. The synthesized ZnO Nps also show good electrochemical sensing of dopamine. ZnO Nps exhibit significant bactericidal activity against Klebsiella aerogenes, Pseudomonas aeruginosa, Eschesichia coli and Staphylococcus aureus using agar well diffusion method. Furthermore, the ZnO Nps show good antioxidant activity by potentially scavenging 1-diphenyl-2-picrylhydrazyl (DPPH) radicals. The above studies clearly demonstrate versatile applications of ZnO synthesized by simple eco-friendly route.

  1. Chemistry and Biological Activities of Terpenoids from Copaiba (Copaifera spp. Oleoresins

    Directory of Open Access Journals (Sweden)

    Jamilly Kelly Oliveira Neves


    Full Text Available Copaiba oleoresins are exuded from the trunks of trees of the Copaifera species (Leguminosae-Caesalpinoideae. This oleoresin is a solution of diterpenoids, especially, mono- and di-acids, solubilized by sesquiterpene hydrocarbons. The sesquiterpenes and diterpenes (labdane, clerodane and kaurane skeletons are different for each Copaifera species and have been linked to several reported biological activities, ranging from anti-tumoral to embriotoxic effects. This review presents all the substances already described in this oleoresin, together with structures and activities of its main terpenoids.

  2. 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


    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

  3. The Role of Green Chemistry Activities in Fostering Secondary School Students' Understanding of Acid-Base Concepts and Argumentation Skills (United States)

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


    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…

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

    NARCIS (Netherlands)

    Claessens, Jacqueline Wilhelmien


    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

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

    NARCIS (Netherlands)

    Claessens, J.W.


    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

  6. Biologically active perspective synthesis of heteroannulated 8-nitroquinolines with green chemistry approach. (United States)

    Arasakumar, Thangaraj; Mathusalini, Sadasivam; Gopalan, Subashini; Shyamsivappan, Selvaraj; Ata, Athar; Mohan, Palathurai Subramaniam


    A new class of pyrazolo[4,3-c]quinoline (5a-i, 7a-b) and pyrano[3,2-c]quinoline (9a-i) derivatives were designed and synthesized in moderate to good yields by microwave conditions. To enhance the yield of pyrano[3,2-c]quinoline derivatives, multicomponent one-pot synthesis has been developed. The synthesized compounds were identified by spectral and elemental analyses. Compounds 9a and 9i showed good antibacterial activity against Gram-positive and Gram-negative bacterial strains. All of the new compounds exhibited weak to moderate antioxidant activity, compound 9d exerted significant antioxidant power. The cytotoxicity of these compounds were also evaluated against MCF-7 (breast) and A549 (Lung) cancer cell lines. Most of the compounds displayed moderate to good cytotoxic activity against these cell lines. Compound 9i was found to be significantly active in this assay and also induced cell death by apoptosis. Molecular docking studies were carried out using EGFR inhibitor in order to determine the molecular interactions. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. The Chemistry of Self-Heating Food Products: An Activity for Classroom Engagement (United States)

    Oliver-Hoyo, Maria T.; Pinto, Gabriel; Llorens-Molina, Juan Antonio


    Two commercial self-heating food products have been used to apply chemical concepts such as stoichiometry, enthalpies of reactions and solutions, and heat transfer in a classroom activity. These products are the self-heating beverages sold in Europe and the Meals, Ready to Eat or MREs used primarily by the military in the United States. The main…

  8. Microelectrode studies of interstitial water chemistry and photosynthetic activity in a hot spring microbial mat

    Energy Technology Data Exchange (ETDEWEB)

    Revsbech, N.P.; Ward, D.M.


    Microelectrodes were used to measure oxygen, pH, and oxygenic photosynthetic activity in a hot spring microbial mat (Octopus Spring, Yellowstone National Park), where the cyanobacterium Synechoccus lividus and the filamentous bacteria Chloroflexus aurantiacus are the only known phototrophs. The data showed very high biological activities in the topmost layers of the microbial mat, resulting in extreme values for oxygen and pH. At a 1-mm depth at a 55 C site, oxygen and pH reached 900 micro M and 9.4, respectively, just after solar noon, whereas anoxic conditions with pH of 7.2 were measured before sunrise. Although diurnal changes between these extremes occurred over hours during a diurnal cycle microbial activity was great enough to give the same response in 1 to 2 mm after artificial shading. Oxygenic photosynthesis was confined to a 0.5- to 1.1-mm layer at sites with temperatures at or above about 50 C, with maximum activities in the 55 to 60 C region. The data suggest that S. lividus is the dominant primary producer of the mat. 30 references, 5 figures.

  9. Digestibility, growth, blood chemistry, and enzyme activity of juvenile Oreochromis niloticus fed isocaloric diets containing animal and plant byproducts

    Directory of Open Access Journals (Sweden)

    Magnolia Montoya-Mejía

    Full Text Available ABSTRACT In this work, we studied the digestibility, growth, blood chemistry, and enzyme activity of Nile tilapia (Oreochromis niloticus juveniles (0.95±0.18 g using different animal (fish silage meal, whey meal, bovine blood meal, and red crab meal and plant (extruded bean, extruded chickpea meal, coconut paste, Jatropha curcas meal, and chickpea meal dietary byproducts. Nine isocaloric diets (321.92±9.10 kcal g−1 were evaluated for 60 days. The highest digestibility of crude protein values for animal and plant sources were obtained for the whey (93.6 and extruded bean meal (90.5 diets, respectively. The final body weight was higher for the red crab and extruded chickpea meal diets, meanwhile the fish silage and red crab byproducts obtained the highest protein efficiency ratio. Hematocrit was similar among the diets of each byproduct source and presented correlation with growth parameters. The highest glucose, cholesterol, and triglyceride values were obtained for fish silage (138.0, 260.5, and 389.0 mg dL−1, respectively and whey meal (174.5, 242.3, and 284.0 mg dL−1, respectively groups. A positive correlation was found between the digestibility of crude protein of ingredients and chymotrypsin activity. Oreochromis niloticus is able to better utilize fish silage, whey, extruded bean, and extruded chickpea byproducts, adjusting its digestive physiology. Such ingredients can be used for formulating cheaper and efficient tilapia diets.

  10. Crystal-chemistry insight into the photocatalytic activity of BiOCl x Br1- x nanoplate solid solutions (United States)

    Xu, Huan-Yan; Han, Xu; Tan, Qu; Wu, Ke-Jia; Qi, Shu-Yan


    In this study, a facile alcoholysis method was developed to synthesize BiOCl x Br1- x nanoplates at room temperature and atmospheric pressure. In this route, strong acid or alkaline environment was absolutely avoided to realize the high exposure of {001} crystal facets. The regular changes in XRD peaks and cell parameters as a function of the Br content strongly declared that the obtained BiOCl x Br1- x products belonged to a group of solid solutions. The 2D nanosheets with in-plane wrinkles were clearly observed in TEM images. Interestingly, as the Br content increased, band gaps of BiOCl x Br1- x solid solutions gradually decreased. The photocatalytic degradation of RhB under simulated sunlight irradiation indicated that BiOCl0.5Br0.5 had the best photocatalytic activity. From the viewpoint of crystal chemistry, the photocatalytic activity of BiOCl x Br1- x solid solutions was closely related with the exposure amount of {001} facets, interlayer spacing of (001) plane and energy-level position of valence band.

  11. 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


    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.

  12. Current organic chemistry

    National Research Council Canada - National Science Library


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

  13. Hydrochemical evaluation of the influences of mining activities on river water chemistry in central northern Mongolia. (United States)

    Batsaikhan, Bayartungalag; Kwon, Jang-Soon; Kim, Kyoung-Ho; Lee, Young-Joon; Lee, Jeong-Ho; Badarch, Mendbayar; Yun, Seong-Taek


    Although metallic mineral resources are most important in the economy of Mongolia, mining activities with improper management may result in the pollution of stream waters, posing a threat to aquatic ecosystems and humans. In this study, aiming to evaluate potential impacts of metallic mining activities on the quality of a transboundary river (Selenge) in central northern Mongolia, we performed hydrochemical investigations of rivers (Tuul, Khangal, Orkhon, Haraa, and Selenge). Hydrochemical analysis of river waters indicates that, while major dissolved ions originate from natural weathering (especially, dissolution of carbonate minerals) within watersheds, they are also influenced by mining activities. The water quality problem arising from very high turbidity is one of the major environmental concerns and is caused by suspended particles (mainly, sediment and soil particles) from diverse erosion processes, including erosion of river banks along the meandering river system, erosion of soils owing to overgrazing by livestock, and erosion by human activities, such as mining and agriculture. In particular, after passing through the Zaamar gold mining area, due to the disturbance of sediments and soils by placer gold mining, the Tuul River water becomes very turbid (up to 742 Nephelometric Turbidity Unit (NTU)). The Zaamar area is also the contamination source of the Tuul and Orkhon rivers by Al, Fe, and Mn, especially during the mining season. The hydrochemistry of the Khangal River is influenced by heavy metal (especially, Mn, Al, Cd, and As)-loaded mine drainage that originates from a huge tailing dam of the Erdenet porphyry Cu-Mo mine, as evidenced by δ34S values of dissolved sulfate (0.2 to 3.8 ‰). These two contaminated rivers (Tuul and Khangal) merge into the Orkhon River that flows to the Selenge River near the boundary between Mongolia and Russia and then eventually flows into Lake Baikal. Because water quality problems due to mining can be critical, mining

  14. Chemistry and biological activity of essential oils from Piper claussenianum (Piperaceae). (United States)

    Marques, André M; Barreto, Anna Léa S; Batista, Eber M; Curvelo, José Alexandre da R; Velozo, Leosvaldo S M; Moreira, Davyson de L; Guimarães, Elsie F; Soares, Rosângela Maria A; Kaplan, Maria Auxiliadora C


    Analyses of essential oils obtained from fresh and dried leaves and inflorescences of Piper clausenianum were performed using GC-FID, GC-MS and NMR techniques. Forty compounds were detected for these four oils with the total of identified constituents ranging from 88.7% for the dried inflorescences to 97.7% for the dried leaves. Sesquiterpenes were the main constituents in the volatile fraction from leaves with a high percentage of (E)-nerolidol (up to 83%). However, monoterpenes were identified in greater amount in the inflorescences, with linalool percentages from 50% up. The essential oils from fresh leaves and inflorescences were submitted to anti-parasitic activity against a strain of Leishmania amazonensis. Both samples showed biological activity, but the essential oil from P. claussenianum fresh leaves, which was rich in (E)-nerolidol, showed effective growth inhibition of L. amazonensis due to the high percentage of this metabolite in the mixture.

  15. Effect of texture and surface chemistry on adsorptive capacities of activated carbons for phenolic compounds removal

    Energy Technology Data Exchange (ETDEWEB)

    Ania, C.O.; Parra, J.B.; Pis, J.J. [Instituto Nacional del Carbon INCAR, C.S.I.C., Apartado 73, 33080, Oviedo (Spain)


    Three microporous commercial activated carbons (AC) were used for the adsorption of phenol and salicylic acid from aqueous solution. Equilibrium adsorption data were obtained by the bottle-point technique. Long periods of time were needed to reach the equilibrium between the active carbon and the aqueous solution. Adsorptive capacities obtained from the isotherms were calculated following the ASTM 3860 procedure. Carbons with a high oxygen content were found to present lower adsorptive capacities for both phenol and salicylic acid. Column tests were also used for the uptake of phenol and salicylic acid, and adsorptive capacities were calculated from the breakthrough curves. Adsorptive capacities calculated from the breakthrough curves were found to be significantly lower than those evaluated from the equilibrium isotherms.

  16. Asteracantha longifolia (L. Nees, Acanthaceae: chemistry, traditional, medicinal uses and its pharmacological activities - a review

    Directory of Open Access Journals (Sweden)

    Nagendra Singh Chauhan


    Full Text Available Asteracantha longifolia (L. Nees, Acanthaceae, is a source of the ayurvedic drug, 'Kokilaaksha' and the Unani drug, Talimakhana. The seeds are acrid, bitter, aphrodisiac, tonic, sedative, used for diseases of the blood. The plant is known to possess antitumor, hypoglycemic, aphrodisiac, antibacterial, free radical scavenging and lipid peroxidation, hepatoprotective and haematopoietic activity. It contains lupeol, stigmasterol, butelin, fatty acids, and alkaloids. The present review article is focused on phytochemical, pharmacological and other important aspects of Talimakhana.

  17. Cupric-Superoxo Mediated Inter-Molecular C-H Activation Chemistry (United States)

    Peterson, Ryan L.; Himes, Richard A.; Kotani, Hiroaki; Suenobu, Tomoyoshi; Tian, Li; Siegler, Maxime A.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.


    A new cupric-superoxo complex [LCuII(O2•−)]+, which possesses particularly strong O–O and Cu–O bonding, is capable of intermolecular C-H activation of the NADH analogue 1-benzyl-1,4-dihydronicotinamide (BNAH). Kinetic studies indicate a first-order dependence on both the Cu-complex and BNAH with a deuterium kinetic isotope effect (KIE) of 12.1, similar to that observed for certain copper monooxygenases. PMID:21265534

  18. Nanostructured manganese oxides as highly active water oxidation catalysts: a boost from manganese precursor chemistry. (United States)

    Menezes, Prashanth W; Indra, Arindam; Littlewood, Patrick; Schwarze, Michael; Göbel, Caren; Schomäcker, Reinhard; Driess, Matthias


    We present a facile synthesis of bioinspired manganese oxides for chemical and photocatalytic water oxidation, starting from a reliable and versatile manganese(II) oxalate single-source precursor (SSP) accessible through an inverse micellar molecular approach. Strikingly, thermal decomposition of the latter precursor in various environments (air, nitrogen, and vacuum) led to the three different mineral phases of bixbyite (Mn2 O3 ), hausmannite (Mn3 O4 ), and manganosite (MnO). Initial chemical water oxidation experiments using ceric ammonium nitrate (CAN) gave the maximum catalytic activity for Mn2 O3 and MnO whereas Mn3 O4 had a limited activity. The substantial increase in the catalytic activity of MnO in chemical water oxidation was demonstrated by the fact that a phase transformation occurs at the surface from nanocrystalline MnO into an amorphous MnOx (1oxidizing agent. Photocatalytic water oxidation in the presence of [Ru(bpy)3 ](2+) (bpy=2,2'-bipyridine) as a sensitizer and peroxodisulfate as an electron acceptor was carried out for all three manganese oxides including the newly formed amorphous MnOx . Both Mn2 O3 and the amorphous MnOx exhibit tremendous enhancement in oxygen evolution during photocatalysis and are much higher in comparison to so far known bioinspired manganese oxides and calcium-manganese oxides. Also, for the first time, a new approach for the representation of activities of water oxidation catalysts has been proposed by determining the amount of accessible manganese centers. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Coordination chemistry and catalytic activity of N-heterocyclic carbene iridium(I) complexes. (United States)

    Fu, Ching-Feng; Chang, Yung-Hung; Liu, Yi-Hong; Peng, Shei-Ming; Elsevier, Cornelis J; Chen, Jwu-Ting; Liu, Shiuh-Tzung


    Iridium complexes [(CO)2Ir(NHC-R)Cl] (R = Et-, 3a; PhCH2-, 3b; CH3OCH2CH2-, 3c; o-CH3OC6H4CH2-, 3d; NHC: N-heterocyclic carbene) are prepared via the carbene transfer from [(NHC-R)W(CO)5] to [Ir(COD)Cl]2. By using substitution with 13CO, we are able to estimate the activation energy (G) of the CO-exchange in 3a-d, which are in the range of 12-13 kcal mol-1, significantly higher than those for the phosphine analog [(CO)2Ir(PCy3)Cl]. Reactions of 3b and 3d with an equimolar amount of PPh3 result in the formation of the corresponding [(NHC-R)Ir(CO)(PPh3)Cl] with the phosphine and NHC in trans arrangement. In contrast, the analogous reaction of 3a or 3c with phosphine undergoes substitution followed by the anion metathesis to yield the corresponding di-substituted [(NHC-R)Ir(CO)(PPh3)2]BF4 (5) directly. Treatment of 3b or 3d with excess of PPh3 leads to the similar product of disubstitution 5b and 5d. The analysis for the IR data of carbonyliridium complexes provides the estimation of electron-donating power of NHCs versus phosphines. The NHC moiety on the iridium center cannot be replaced by phosphines, even 1,2-bis(diphenylphohino)ethane (dppe). All the carbene moieties on the iridium complexes are inert toward sulfur treatment, indicating a strong interaction between NHC and the iridium centers. Complexes 3a-c are active on the catalysis of the oxidative cyclization of 2-(o-aminophenyl)ethanol to yield the indole compound. The phosphine substituted complexes or analogs are less active.

  20. Current Advances in L-DOPA and DOPA-Peptidomimetics: Chemistry, Applications and Biological Activity. (United States)

    Bizzarri, Bruno Mattia; Tortolini, Silvia; Rotelli, Luca; Botta, Giorgia; Saladino, Raffaele


    L-3,4-Dihydroxyphenylalanine [2-amino-3-(3,4-dihydroxyphenyl) propanoic acid (L-DOPA) is a natural constituent of animal and plant tissue derived from post-translational modification of the amino acid tyrosine. L-DOPA is modified during metabolism to catecholamine neurotransmitters, noradrenaline and adrenaline, which are characterized by different biological activities. L-DOPA has been the first drug of choice in the therapy of Parkinson's disease that is a progressive neurodegenerative disorder involving the loss of dopaminergic neurons of substantia nigra pars compacta. The social and economic impact of these diseases is very high due to the progressive aging of the population. This review focuses on the biological effect of LDOPA, as well as on the synthesis of L-DOPA derivatives and their application in central nervous system diseases. Among them, L-DOPA-containing peptides (L-DOPA-Pep) show important biological and pharmacological activities. For example, L-DOPA analogues of the alpha-factor interact with models of the G protein-coupled receptor, inhibit the oxidation of low-density lipoproteins, and are used for improving L-DOPA absorption in long-term treatment of Parkinson's disease and as skin moisturizer in cosmetic compositions. Moreover, L-DOPA residues in proteins provide reactive tools for the preparation of adhesives and coatings materials. Usually, L-DOPA-Pep is prepared by traditional liquid or solid state procedures starting from simple amino acids. Recently, selective side-chain modifications of pre-formed peptides have also been reported both for linear and branched peptides. Here, we describe the recent advances in the synthesis of L-DOPA and dopa-peptidomimetics and their biological and pharmacological activities, focusing the attention on new synthetic procedures and biological mechanism of actions.

  1. Atmospheric Chemistry Measurements in Schools and Outreach Activities with Low-cost Air Quality Sensors (United States)

    Fleming, Z.; Monks, P. S.; McKenzie, K.


    The increasing range of low cost air quality sensors entering the market-place or being developed in-house in the last couple of years has led to many possibilities for using these instruments for public outreach activities or citizen science projects. A range of instruments sent out into local schools for the children to interpret and analyse the data and put the air quality in their area into context. A teaching package with tutorials has been developed to bring the data to life and link in with curriculum.The instruments have also been positioned around the city of Leicester in the UK to help understand the spatial variations in air quality and to assess the impact of retro-fitting buses on a busy bus route. The data is easily accessible online on a near real time basis and the various instruments can be compared with others around the country or the world from classrooms around the world.We will give an overview of the instrumentation with a comparison with commercial and cutting edge research instrumentation, the type of activities that were carried out and the public outreach forums where the data can be used.

  2. Chemistry and in vitro antioxidant activity of volatile oil and oleoresins of black pepper (Piper nigrum). (United States)

    Kapoor, I P S; Singh, Bandana; Singh, Gurdip; De Heluani, Carola S; De Lampasona, M P; Catalan, Cesar A N


    Essential oil and oleoresins (ethanol and ethyl acetate) of Piper nigrum were extracted by using Clevenger and Soxhlet apparatus, respectively. GC-MS analysis of pepper essential oil showed the presence of 54 components representing about 96.6% of the total weight. beta-Caryophylline (29.9%) was found as the major component along with limonene (13.2%), beta-pinene (7.9%), sabinene (5.9%), and several other minor components. The major component of both ethanol and ethyl acetate oleoresins was found to contain piperine (63.9 and 39.0%), with many other components in lesser amounts. The antioxidant activities of essential oil and oleoresins were evaluated against mustard oil by peroxide, p-anisidine, and thiobarbituric acid. Both the oil and oleoresins showed strong antioxidant activity in comparison with butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT) but lower than that of propyl gallate (PG). In addition, their inhibitory action by FTC method, scavenging capacity by DPPH (2,2'-diphenyl-1-picrylhydrazyl radical), and reducing power were also determined, proving the strong antioxidant capacity of both the essential oil and oleoresins of pepper.

  3. Evidence for linkages between ecoenzyme activity and soil organic matter chemistry following encroachment of leguminous woody plant into grasslands. (United States)

    Filley, Timothy; Stott, Diane; Boutton, Thomas; Creamer, Courtney; Olk, Dan


    The encroachment of woody plants into grasslands is a worldwide phenomenon. In the Rio Grande Plains of southern Texas, subtropical thorn woodlands dominated by the N-fixing tree Prosopis glandulosa have largely replaced native grasslands as a result of fire suppression and extensive cattle grazing. This land cover change has resulted in the increase of belowground stocks of C, N, and P, changes to the amount and chemical nature of soil-stabilized plant biopolymers, and the composition and activity of soil microbes. Given that extracellular enzymes produced by plants and microbes are the principal means by which complex compounds are degraded and that the production of such enzymes is triggered or suppressed by changes in substrate and nutrient availability we sought to relate how these fundamental changes in this ecosystem are reflected in the activity of soil stabilized ecoenzymes and soil organic matter (SOM) chemistry in this system. We investigated a chronosequence of woody encroachment (14-86 yrs) into a C4-dominant grassland. We related the potential activities of five extracellular enzymes (arylamidase, acid phosphatase, β-glucosidase, β-glucosaminidase (NAGase, polyphenoloxidase (PPO)) and a general marker for hydrolytic activity, fluorescein diacetate (FDA) to the molecular composition and concentration of total hydrolysable amino acids and amino sugars, sugars, as well as CuO extractable lignin and substituted fatty acid to. When normalized to dry weight soil all chemical components increase in concentration with cluster age and all clusters have greater concentrations than background grasslands. All enzymes activities exhibit higher potential activity in woody clusters than grasslands but only NAGase and FDA increase with cluster age when normalized to dry weight of soil. Conversely, when normalized to SOC only lignin phenols, hydroxyl proline, and glucose from cellulose are positively correlated with cluster age indicating a selective accrual with

  4. Antimicrobial activities of CuO films deposited on Cu foils by solution chemistry (United States)

    Ekthammathat, Nuengruethai; Thongtem, Titipun; Thongtem, Somchai


    Monoclinic CuO thin films on Cu foils were successfully synthesized by a simple wet chemical method in alkaline solution with the pH of 13 at room temperature for different lengths of time. The as-synthesized thin films were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). Formation mechanism of the phase and morphologies was also discussed according to the experimental results. In this research, assemblies of pure CuO nanospindles with different orientations containing in the thin film synthesized for 2 weeks with 400 nm and 413 nm violet emissions showed better antimicrobial activity against S. aureus than E. coli.

  5. Layered Double Hydroxide Nanoclusters: Aqueous, Concentrated, Stable, and Catalytically Active Colloids toward Green Chemistry. (United States)

    Tokudome, Yasuaki; Morimoto, Tsuyoshi; Tarutani, Naoki; Vaz, Pedro D; Nunes, Carla D; Prevot, Vanessa; Stenning, Gavin B G; Takahashi, Masahide


    Increasing attention has been dedicated to the development of nanomaterials rendering green and sustainable processes, which occur in benign aqueous reaction media. Herein, we demonstrate the synthesis of another family of green nanomaterials, layered double hydroxide (LDH) nanoclusters, which are concentrated (98.7 g/L in aqueous solvent), stably dispersed (transparent sol for >2 weeks), and catalytically active colloids of nano LDHs (isotropic shape with the size of 7.8 nm as determined by small-angle X-ray scattering). LDH nanoclusters are available as colloidal building blocks to give access to meso- and macroporous LDH materials. Proof-of-concept applications revealed that the LDH nanocluster works as a solid basic catalyst and is separable from solvents of catalytic reactions, confirming the nature of nanocatalysts. The present work closely investigates the unique physical and chemical features of this colloid, the formation mechanism, and the ability to act as basic nanocatalysts in benign aqueous reaction systems.

  6. Role of surface chemistry in modified ACF (activated carbon fiber)-catalyzed peroxymonosulfate oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shiying, E-mail: [Key Laboratory of Marine Environment and Ecology, Ministry of Education, Qingdao 266100 (China); College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); Shandong Provincial Key Laboratory of Marine Environment and Geological Engineering (MEGE), Qingdao 266100 (China); Li, Lei [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); Xiao, Tuo [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China); China City Environment Protection Engineering Limited Company, Wuhan 430071 (China); Zheng, Di; Zhang, Yitao [College of Environmental Science and Engineering, Ocean University of China, Qingdao 266100 (China)


    Highlights: • ACF can efficiently activate peroxymonosulfate to degrade organic pollutants. • Basic functional groups may mainly increase the adsorption capacity of ACF. • C1, N1, N2 have promoting effect on the ACF catalyzed PMS oxidation. • Modification by heat after nitric acid is also a way of ACF regeneration. - Abstract: A commercial activated carbon fiber (ACF-0) was modified by three different methods: nitration treatment (ACF-N), heat treatment (ACF-H) and heat treatment after nitration (ACF-NH), and the effects of textural and chemical properties on the ability of the metal-free ACF-catalyzed peroxymonosulfate (PMS) oxidation of Reactive Black 5 (RB5), an azo dye being difficultly adsorbed onto ACF, in aqueous solution were investigated in this work. Surface density of functional groups, surface area changes, surface morphology and the chemical state inside ACF samples were characterized by Boehm titration, N{sub 2} adsorption, scanning electron microscopy in couple with energy dispersive spectroscopy (SEM-EDS) and X-ray photoelectron spectroscopy (XPS), respectively. XPS spectra deconvolution was applied to figure out the importance of surface nitrogen-containing function groups. We found that π-π, pyridine and amine have promoting effect on the catalytic oxidation while the −NO{sub 2} has inhibitory effect on the ACF/PMS systems for RB5 destroy. Sustainability and renewability of the typical ACF-NH for catalytic oxidation of RB5 were also discussed in detail. Information about our conclusions are useful to control and improve the performance of ACF-catalyzed PMS oxidation for organic pollutants in wastewater treatment.

  7. Chemistry, Antimicrobial Mechanisms, and Antibiotic Activities of Cinnamaldehyde against Pathogenic Bacteria in Animal Feeds and Human Foods. (United States)

    Friedman, Mendel


    Cinnamaldehyde is a major constituent of cinnamon essential oils produced by aromatic cinnamon plants. This compound has been reported to exhibit antimicrobial properties in vitro in laboratory media and in animal feeds and human foods contaminated with disease-causing bacteria including Bacillus cereus, Campylobacter jejuni, Clostridium perfringens, Escherichia coli, Listeria monocytogenes, and Salmonella enterica. This integrated review surveys and interprets our current knowledge of the chemistry, analysis, safety, mechanism of action, and antibiotic activities of cinnamaldehyde in food animal (cattle, lambs, calves, pigs, poultry) diets and in widely consumed liquid (apple, carrot, tomato, and watermelon juices, milk) and solid foods. Solid foods include various fruits (bayberries, blueberries, raspberries, and strawberries), vegetables (carrots, celery, lettuce, spinach, cucumbers, and tomatoes), meats (beef, ham, pork, and frankfurters), poultry (chickens and turkeys), seafood (oysters and shrimp), bread, cheese, eggs, infant formula, and peanut paste. The described findings are not only of fundamental interest but also have practical implications for food safety, nutrition, and animal and human health. The collated information and suggested research needs will hopefully facilitate and guide further studies needed to optimize the use of cinnamaldehyde alone and in combination with other natural antimicrobials and medicinal antibiotics to help prevent and treat food animal and human diseases.

  8. Green chemistry focus on optimization of silver nanoparticles using response surface methodology (RSM) and mosquitocidal activity: Anopheles stephensi (Diptera: Culicidae). (United States)

    Ondari Nyakundi, Erick; Padmanabhan, M Nalini


    There is an exigent necessity for development of environmental friendly bio-control agent(s) for elimination of mosquito due to increased resistance resurgence against synthetic control agents. Mosquito control strategy will lay a strong foundation to malaria exclusion or it can be curbed to certain level especially in the developing nations. In this study, silver nanoparticles were synthesized by green chemistry approach using Tridax procumbens leaf extract as a reducing agent. The reaction medium involved in the synthesis process was optimized by statistical experimental design using response surface methodology to obtain better yield, uniform size, shape and stability. Further, these synthesized nanoparticles were confirmed through UV-Visible, FT-IR spectroscopy, PSA and SEM Subsequently, the bioefficacy of these particles were investigated on Anopheles stephensi for larvicidal and pupicidal activity. Interestingly, time period of 90 min, temperature of 76±2 °C, pH 7.2±2, 2 mM silver nitrate (AgNO3), 3mM PEG and 2mM PVP showed excellent parameters for bioprocess design for large scale production of stabilized nanoparticles. A concentration of 5 ppm of PVP stabilized nanoparticles exhibited 100% mortality. Thus, the obtained results clearly suggest that silver nanoparticles stabilized by PEG and PVP may have important function as stabilizers, dispersants as well as larvicides for mosquito control. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. Photography by Cameras Integrated in Smartphones as a Tool for Analytical Chemistry Represented by an Butyrylcholinesterase Activity Assay. (United States)

    Pohanka, Miroslav


    Smartphones are popular devices frequently equipped with sensitive sensors and great computational ability. Despite the widespread availability of smartphones, practical uses in analytical chemistry are limited, though some papers have proposed promising applications. In the present paper, a smartphone is used as a tool for the determination of cholinesterasemia i.e., the determination of a biochemical marker butyrylcholinesterase (BChE). The work should demonstrate suitability of a smartphone-integrated camera for analytical purposes. Paper strips soaked with indoxylacetate were used for the determination of BChE activity, while the standard Ellman's assay was used as a reference measurement. In the smartphone-based assay, BChE converted indoxylacetate to indigo blue and coloration was photographed using the phone's integrated camera. A RGB color model was analyzed and color values for the individual color channels were determined. The assay was verified using plasma samples and samples containing pure BChE, and validated using Ellmans's assay. The smartphone assay was proved to be reliable and applicable for routine diagnoses where BChE serves as a marker (liver function tests; some poisonings, etc.). It can be concluded that the assay is expected to be of practical applicability because of the results' relevance.

  10. The chemistry and biology of soluble guanylate cyclase stimulators and activators. (United States)

    Follmann, Markus; Griebenow, Nils; Hahn, Michael G; Hartung, Ingo; Mais, Franz-Josef; Mittendorf, Joachim; Schäfer, Martina; Schirok, Hartmut; Stasch, Johannes-Peter; Stoll, Friederike; Straub, Alexander


    The vasodilatory properties of nitric oxide (NO) have been utilized in pharmacotherapy for more than 130 years. Still today, NO-donor drugs are important in the management of cardiovascular diseases. However, inhaled NO or drugs releasing NO and organic nitrates are associated with noteworthy therapeutic shortcomings, including resistance to NO in some disease states, the development of tolerance during long-term treatment, and nonspecific effects, such as post-translational modification of proteins. The beneficial actions of NO are mediated by stimulation of soluble guanylate cyclase (sGC), a heme-containing enzyme which produces the intracellular signaling molecule cyclic guanosine monophosphate (cGMP). Recently, two classes of compounds have been discovered that amplify the function of sGC in a NO-independent manner, the so-called sGC stimulators and sGC activators. The most advanced drug, the sGC stimulator riociguat, has successfully undergone Phase III clinical trials for different forms of pulmonary hypertension. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Variability in tannin content, chemistry and activity in a diverse group of tannin containing sorghum cultivars. (United States)

    Kaufman, Rhett C; Herald, Thomas J; Bean, Scott R; Wilson, Jeff D; Tuinstra, Mitch R


    Tannins are large polyphenolic polymers and are known to bind proteins, limiting their digestibility, but are also excellent antioxidants. Numerous studies investigating the functional properties of sorghum tannin have been conducted by comparing grain samples from different sorghum lines without considering the other intrinsic characteristics of the grain. The purpose of this study was to remove the confounding intrinsic factors present in the endosperm so the effect of the tannins could be evaluated utilizing a unique decortication/reconstitution procedure. The tannin content of the 14 cultivars tested ranged from 2.3 to 67.2 catechin equivalents. The bran fractions were studied for their impact on protein binding and antioxidant capacity. Protein digestibility by pepsin ranged from 8% to 58% at the highest tannin level addition. Protein binding ranged from 3.11 to 16.33 g blue bovine serum albumin kg⁻¹ bran. Antioxidant capacity ranged from 81.33 to 1122.54 µmol Trolox equivalents g⁻¹ bran. High-performance size-exclusion chromatography detailed molecular size distributions of the tannin polymers and relationship to tannin functionality. The tannin content and composition play a significant role in determining tannin functionality. These differences will allow for selections of high-tannin sorghums with consideration of the biological activities of the tannins. Published 2012. This article is a U.S. Government work and is in the public domain in the USA.

  12. Chemistry and leishmanicidal activity of the essential oil from Artemisia absinthium from Cuba. (United States)

    Monzote, Lianet; Piñón, Abel; Sculli, Ramón; Setzer, William N


    Historically, natural products have been a rich source of lead molecules in drug discovery. In particular, products to treat infectious diseases have been developed and several reports about potentialities of essential oils (EO) against Leishmania could be found. In this study, we report the chemical characterization, anti-leishmanial effects and cytotoxicity of the EO from Artemisia absinthium L. Chemical analysis revealed the EO to be composed of 18 compounds, 11 of which were identified, accounting for 64.1% of the composition. The main component of the EO was trans-sabinyl acetate, which made up 36.7%. In vitro anti-leishmanial screening showed that the A. absinthium EO inhibited the growth of promastigotes (14.4 ± 3.6 μg/mL) and amastigotes (13.4 ± 2.4 μg/mL) of L. amazonensis; while cytotoxicity evaluation caused 6 fold higher values than those for the parasites. In a model of experimental cutaneous leishmaniasis in BALB/c mice, five doses of EO at 30 mg/kg by intralesional route demonstrated control of lesion size and parasite burden (pabsinthium as a promising source for lead or active compounds against Leishmania, which could be explored.

  13. Quantum chemistry

    CERN Document Server

    Lowe, John P


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

  14. Alkali-activated fly ash. Relationship between mechanical strength gains and initial ash chemistry

    Directory of Open Access Journals (Sweden)

    Palomo, A.


    Full Text Available Alkali-activated fly ash is the primary component of a new generation of high-strength, durable binders with excellent mechanical properties and durability (on occasion bettering traditional Portland cement performance. Moreover, development of these cements may contribute to mitigating CO2 emissions, since the base material is an industrial by-product. The present study was conducted to determine the effect of the composition of the initial materials (SiO2/Al2O3 and Na2O/Al2O3 ratios on the mechanical properties, nature and composition of the reaction products. The results obtained indicate that there is no linear relationship between these ratios and mechanical strength, but rather a series of optimal values above and below which strength declines. In the specific case of the ratios studied in the present paper, these values were: SiO2/Al2O3= 4.0 and Na2O/Al2O3= 1.0 (molar ratios.Las cenizas volantes activadas alcalinamente constituyen la base de una nueva generación de cementos con muy interesantes propiedades mecánicas, adherentes y durables (a veces incluso mejores que las de los cementos Portland tradicionales. Adicionalmente el desarrollo de estos cementos podría contribuir a mitigar las emisiones de CO2 a la atmósfera, ya que el material base de los mismos puede estar formado por subproductos industriales. En la presente investigación se realizó un estudio para determinar la influencia de la composición de los materiales iniciales (ratios SiO2/Al2O3 y Na2O/Al2O3 en las propiedades mecánicas y en la naturaleza y composición de los productos de reacción. Los resultados obtenidos indican que no existe una relación lineal de dichas ratios con las resistencias mecánicas, sino que existen unos valores óptimos, por encima y debajo de los cuales las resistencias mecánicas disminuyen. En el caso concreto de las ratios estudiadas en el presente trabajo estos valores serian: SiO2/Al2O3= 4,0 y Na2O/Al2O3= 1,0 (relaciones molares

  15. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D


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

  16. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie


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

  17. Radiation Chemistry (United States)

    Wojnárovits, L.

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

  18. Polymer Chemistry (United States)

    Williams, Martha; Roberson, Luke; Caraccio, Anne


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

  19. Using Undergraduate Facilitators for Active Learning in Organic Chemistry: A Preparation Course and Outcomes of the Experience (United States)

    Jardine, Hannah E.; Friedman, Lee A.


    In this study, we describe a course to educate and prepare undergraduate "facilitators" for small group problem solving sessions in a large, first semester, introductory undergraduate organic chemistry course. We then explore the outcomes of the facilitator experience for one cohort of facilitators through qualitative analysis of written…

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

    NARCIS (Netherlands)

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


    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

  1. Using a Practical Instructional Development Process to Show That Integrating Lab and Active Learning Benefits Undergraduate Analytical Chemistry (United States)

    Goacher, Robyn E.; Kline, Cynthia M.; Targus, Alexis; Vermette, Paul J.


    We describe how a practical instructional development process helped a first-year assistant professor rapidly develop, implement, and assess the impact on her Analytical Chemistry course caused by three changes: (a) moving the lab into the same semester as the lecture, (b) developing a more collaborative classroom environment, and (c) increasing…

  2. Food carbohydrate chemistry

    National Research Council Canada - National Science Library

    Wrolstad, R. E


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

  3. Chemistry in a Nutshell. (United States)

    Rupnow, John; And Others


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

  4. Chemistry of Materials

    Indian Academy of Sciences (India)

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

  5. Chemistry in second life. (United States)

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


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

  6. Chemistry in Second Life

    Directory of Open Access Journals (Sweden)

    Bradley Jean-Claude


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

  7. Teacher Didactic Content Knowledge and its relation with the utilization of practical activities in chemistry classes: A study with expert teachers of the Angolan educational system

    Directory of Open Access Journals (Sweden)

    Laurinda Baca


    Full Text Available This study was developed within the Angolan educational system, with chemistry expert teachers who teach the 7th grade (12 years old. Aiming to characterize the didactic content knowledge and relate it with the quality of teaching and with the development of practical activities that ensure the active participation of students in the construction of knowledge, we observed and analyzed the classes of a group of expert teachers, specifically in the content of chemical reactions and chemical equations. In a quasi-experimental design methodology, the used technique was the observation from the capture of images in the classes. An element we paid particular attention in the analysis of the classes was the implementation of strategies that involve practical activities, since the didactic research has amply demonstrated that they are likely to generate active learning in science education, with particular emphasis in chemistry. The results revealed that the expert teachers often use practical activities in their classrooms, using group work procedures, work front and questions oral and written.

  8. Freezing skeletal muscle tissue does not affect its decomposition in soil: evidence from temporal changes in tissue mass, microbial activity and soil chemistry based on excised samples. (United States)

    Stokes, Kathryn L; Forbes, Shari L; Tibbett, Mark


    The study of decaying organisms and death assemblages is referred to as forensic taphonomy, or more simply the study of graves. This field is dominated by the fields of entomology, anthropology and archaeology. Forensic taphonomy also includes the study of the ecology and chemistry of the burial environment. Studies in forensic taphonomy often require the use of analogues for human cadavers or their component parts. These might include animal cadavers or skeletal muscle tissue. However, sufficient supplies of cadavers or analogues may require periodic freezing of test material prior to experimental inhumation in the soil. This study was carried out to ascertain the effect of freezing on skeletal muscle tissue prior to inhumation and decomposition in a soil environment under controlled laboratory conditions. Changes in soil chemistry were also measured. In order to test the impact of freezing, skeletal muscle tissue (Sus scrofa) was frozen (-20 degrees C) or refrigerated (4 degrees C). Portions of skeletal muscle tissue (approximately 1.5 g) were interred in microcosms (72 mm diameter x 120 mm height) containing sieved (2mm) soil (sand) adjusted to 50% water holding capacity. The experiment had three treatments: control with no skeletal muscle tissue, microcosms containing frozen skeletal muscle tissue and those containing refrigerated tissue. The microcosms were destructively harvested at sequential periods of 2, 4, 6, 8, 12, 16, 23, 30 and 37 days after interment of skeletal muscle tissue. These harvests were replicated 6 times for each treatment. Microbial activity (carbon dioxide respiration) was monitored throughout the experiment. At harvest the skeletal muscle tissue was removed and the detritosphere soil was sampled for chemical analysis. Freezing was found to have no significant impact on decomposition or soil chemistry compared to unfrozen samples in the current study using skeletal muscle tissue. However, the interment of skeletal muscle tissue had a

  9. Shape-selective catalysts for Fischer-Tropsch chemistry : atomic layer deposition of active catalytic metals. Activity report : January 1, 2005 - September 30, 2005.

    Energy Technology Data Exchange (ETDEWEB)

    Cronauer, D. C. (Chemical Sciences and Engineering Division)


    Argonne National Laboratory is carrying out a research program to create, prepare, and evaluate catalysts to promote Fischer-Tropsch (FT) chemistry - specifically, the reaction of hydrogen with carbon monoxide to form long-chain hydrocarbons. In addition to needing high activity, it is desirable that the catalysts have high selectivity and stability with respect to both mechanical strength and aging properties. The broad goal is to produce diesel fraction components and avoiding excess yields of both light hydrocarbons and heavy waxes. Originally the goal was to prepare shape-selective catalysts that would limit the formation of long-chain products and yet retain the active metal sites in a protected 'cage.' Such catalysts were prepared with silica-containing fractal cages. The activity was essentially the same as that of catalysts without the cages. We are currently awaiting follow-up experiments to determine the attrition strength of these catalysts. A second experimental stage was undertaken to prepare and evaluate active FT catalysts formed by atomic-layer deposition [ALD] of active components on supported membranes and particulate supports. The concept was that of depositing active metals (i.e. ruthenium, iron or cobalt) upon membranes with well defined flow channels of small diameter and length such that the catalytic activity and product molecular weight distribution could be controlled. In order to rapidly evaluate the catalytic membranes, the ALD coating processes were performed in an 'exploratory mode' in which ALD procedures from the literature appropriate for coating flat surfaces were applied to the high surface area membranes. Consequently, the Fe and Ru loadings in the membranes were likely to be smaller than those expected for complete monolayer coverage. In addition, there was likely to be significant variation in the Fe and Ru loading among the membranes due to difficulties in nucleating these materials on the aluminum oxide

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

    Huheey, James

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

  11. Conformational modulation of in vitro activity of cyclic RGD peptides via aziridine aldehyde-driven macrocyclization chemistry. (United States)

    Roxin, Áron; Chen, Juan; Scully, Conor C G; Rotstein, Benjamin H; Yudin, Andrei K; Zheng, Gang


    Here, we demonstrate a conjugation strategy whereby cyclic RGD-containing macrocycles are prepared using aziridine aldehydes, isocyanides, and linear peptides, followed by conjugation to a cysteamine linker. Our method involves site-selective aziridine ring-opening with the nucleophilic sulfhydryl group of cysteamine. Fluorescein was then efficiently conjugated to the primary amine of cysteamine by NHS-chemistry. This strategy may be expanded to provide easy access to a wide variety of fluorescent dyes or radiometal chelators. Modeling studies showed that aziridine aldehyde cyclization chemistry stabilized the RGD motif into the required bioactive conformation and that this cyclization chemistry modulated the geometry of macrocycles of different residue lengths. In vitro studies showed that cPRGDA and cPRGDAA both selectively bound to α(V)β(3)-overexpressing U87 glioblastoma cells, and that cPRGDA had a better binding affinity compared to cPRGDAA. The improved binding affinity of cPRGDA was attributed to the fixed Pro-C(α)-Asp-C(α) distance surrounding the stabilized RGD motif in cPRGDA.

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

    Karayannis, Miltiades I; Efstathiou, Constantinos E


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

  13. Effects of surface chemistry of activated carbon on the adsorption of aromatics containing electron-withdrawing and electron-donating functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Silva, I.F.; Ume, J.I.; Scaroni, A.W.; Radovic, L.R. [Pennsylvania State Univ., University Park, PA (United States)


    Adsorption of organic water pollutants onto activated carbon surfaces has been studied extensively and a voluminous literature is available on this increasingly important practical problem. There are many well established facts; there are also some conflicting data. More importantly, conflicting interpretations have been offered and no attempt seems to have been made to reconcile them. Because many of the pollutants are weak electrolytes, the central fundamental issue is how to account for the well documented importance of (a) the pH of the aqueous solution, and (b) the surface chemistry of the adsorbent. This paper describes studies on the adsorption of nitrobenzene and aniline.

  14. Detection of O-propargyl-puromycin with SUMO and ubiquitin by click chemistry at PML-nuclear bodies during abortive proteasome activities

    Energy Technology Data Exchange (ETDEWEB)

    Uozumi, Naoki; Matsumoto, Hotaru [Course for Biological Sciences, Faculty of Science, Kumamoto University, Kumamoto (Japan); Saitoh, Hisato, E-mail: [Course for Biological Sciences, Faculty of Science, Kumamoto University, Kumamoto (Japan); Department of Biological Sciences, Graduate School of Science and Technology, Kumamoto University, Kumamoto (Japan)


    The amino-nucleoside antibiotic, puromycin, acts by covalently linking to elongating polypeptide chains on ribosomes to generate prematurely terminated immature polypeptides. The trafficking of puromycin-conjugated (puromycylated) immature polypeptides within cell has, however, remained elusive. In this study, using O-propargyl-puromycin (OP-Puro), the distribution of puromycylated polypeptides was assessed in HeLa cells by click chemistry. Under standard culture conditions, OP-Puro signals were detected in the cytoplasm and nucleus with the highest concentrations in the nucleolus. Intriguingly, when proteasome activities were aborted using MG132, OP-Puro signals began to accumulate at promyelocytic leukemia nuclear bodies (PML-NBs) in addition to the nucleolus. We also found promiscuous association of OP-Puro signals with SUMO-2/3 and ubiquitin at PML-NBs, but not at the nucleolus, during abortive proteasome activities. This study reveals a previously unknown distribution of OP-Puro that argues for a nuclear function in regulating immature protein homeostasis. -- Highlights: •Click chemistry detects O-propargyl-puromycin (OP-Puro) signals in the nucleus. •OP-Puro accumulates at PML-NBs during abortive proteasome activities. •SUMO and ubiquitin are promiscuously associated with OP-Puro at PML-NBs. •The nucleus may function in immature protein homeostasis.

  15. Chemistry and Art. (United States)

    Lipscher, Juraj


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

  16. Radiopharmaceutical chemistry of targeted radiotherapeutics, part 4: Strategies for211At labeling at high activities and radiation doses of211At α-particles. (United States)

    Pozzi, Oscar R; Zalutsky, Michael R


    Alpha particles are radiation of high energy and short range, properties that can lead to radiolysis-mediated complications in labeling chemistry at the high radioactivity levels required for clinical application. In previous papers in this series, we have shown that radiation dose has a profound effect on the astatine species that are present in the labeling reaction and their suitability for the synthesis of N-succinimidyl 3-[ 211 At]astatobenzoate. The purpose of this study was to evaluate the effects of adding N-chlorosuccinimide (NCS) to the methanol solution used for initial isolation of 211 At after distillation, a process referred to as 211 At stabilization, on 211 At chemistry after exposure to high radiation doses. High performance liquid chromatography was used to evaluate the distribution of 211 At species present in methanol in the 500-65,000Gy radiation dose range and the synthesis of SAB from N-succinimidyl 3-(tri-n-butylstannyl)benzoate in the 500-120,000Gy radiation dose range using different 211 At timeactivity combinations under conditions with/without 211 At stabilization. In the absence of NCS stabilization, a reduced form of astatine, At(2), increased with increasing radiation dose, accounting for about half the total activity by about 15,000Gy, while with stabilization, At(2) accounted for 60,000Gy. SAB yields without stabilization rapidly declined with increasing dose, falling to ~20% at about 5000Gy while with stabilization, yields >80% were obtained with 211 At solutions stored for more than 23h and receiving radiation doses >100,000Gy. Adding NCS to the methanol solution used for initial isolation of 211 At is a promising strategy for countering the deleterious effects of radiolysis on 211 At chemistry. This strategy could facilitate the ability to perform 211 At labeling at sites remote from its production and at the high activity levels required for clinical applications. Copyright © 2016 Elsevier Inc. All rights reserved.

  17. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry


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

  18. Interstellar chemistry (United States)

    Klemperer, William


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

  19. Effect of Water Chemistry and Hydrodynamics on Nitrogen Transformation Activity and Microbial Community Functional Potential in Hyporheic Zone Sediment Columns

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yuanyuan [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; School; Liu, Chongxuan [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; School; Nelson, William C. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Shi, Liang [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; School of Environmental; Xu, Fen [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; School of Environmental; Liu, Yunde [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; School of Environmental; Yan, Ailan [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Institute; Zhong, Lirong [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Thompson, Christopher [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Fredrickson, James K. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Zachara, John M. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States


    Nitrogen (N) transformation in hyporheic zone (HZ) is an important component in N-cycling in ecosystems. A column study was conducted to investigate N transformation in a HZ sediment with a focus on how characteristic HZ properties including water chemistry, fluid residence time, and dynamic groundwater and surface water exchange affect on N transformation. Metagenomic and quantitative polymerase chain reaction (qPCR) analyses were performed to evaluate the dynamic changes in microbial community structure and its function in response to N transformation. The results indicated that N transformation in the HZ sediment was collectively controlled by microbial community functions including: denitrification, dissimilatory nitrate reduction to ammonium (DNRA), nitrification, and anaerobic ammonium oxidation (anammox). However, the spatial distribution of the microbial community functions and associated biogeochemical reaction rates and products changed quickly in response to experimental perturbation, and was influenced by various factors including water chemistry (dissolved O2 and N species), desorption of sediment associated organic carbon, ion exchange reactions of NH4+, and fluid residence time. The results of this study implied that the microbial community in the HZ would exhibit strong function zonation along N and O gradients, which in turn would control the rates and products of N transformation.

  20. The radiation chemistry of macromolecules

    CERN Document Server


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

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

    African Journals Online (AJOL)

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

  2. Temperature dependence of bromine activation due to reaction of bromide with ozone in a proxy for organic aerosols and its importance for chemistry in surface snow. (United States)

    Edebeli, Jacinta; Ammann, Markus; Gilgen, Anina; Trachsel, Jürg; Avak, Sven; Eichler, Anja; Schneebeli, Martin; Bartels-Rausch, Thorsten


    Tropospheric ozone depletion events (ODEs) via halogen activation are observed in both cold and warm climates [1-3]. Very recently, it was suggested that this multiphase halogen activation chemistry dominates in the tropical and subtropical upper troposphere [4]. These occurrences beg the question of temperature dependence of halogen activation in sea-salt aerosol, which are often mixtures of sea-salt and organic molecules [3, 5]. With the application of flow-tubes, the aim of this study is to investigate the temperature dependence of bromine activation via ozone interaction in a bromide containing film as a proxy for mixed organic - sea-salt aersol. Citric acid is used in this study as a hygroscopically characterized matrix and a proxy for oxidized organics, which is of relevance to atmospheric chemistry. Here, we present reactive ozone uptake measured between 258 and 289 K. The data show high reproducibility. With available knowledge, we have reproduced the measured uptake with modelled bulk uptake while accounting for temperature dependence of the substrate's properties as diffusivity, viscosity, and gas solubility. This work is part of a cross-disciplinary project with the aim to investigate the impact of metamorphism on impurity location in aging snow and its consequences for chemical reactivity. Metamorphism drastically shapes the structure and physical properties of snow, which has impacts on heat transfer, albedo, and avalanche formation. Such changes can be driven by water vapour fluxes in dry metamorphism with a mass turnover of as much as 60% per day - much greater than previously thought [6]. The consequences for atmospheric science are a current question of research [7]. Here, we show first results of a joint experiment to probe the re-distribution of impurities during snow metamorphism in artificial snow combined with an investigation of the samples structural changes. Future work is planned with the goal to investigate to which extend the observed re

  3. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

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


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

  4. Public perception of chemistry


    Stražar, Alenka


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

  5. Kinetic and structural studies of aldehyde oxidoreductase from Desulfovibrio gigas reveal a dithiolene-based chemistry for enzyme activation and inhibition by H(2O(2.

    Directory of Open Access Journals (Sweden)

    Jacopo Marangon

    Full Text Available Mononuclear Mo-containing enzymes of the xanthine oxidase (XO family catalyze the oxidative hydroxylation of aldehydes and heterocyclic compounds. The molybdenum active site shows a distorted square-pyramidal geometry in which two ligands, a hydroxyl/water molecule (the catalytic labile site and a sulfido ligand, have been shown to be essential for catalysis. The XO family member aldehyde oxidoreductase from Desulfovibrio gigas (DgAOR is an exception as presents in its catalytically competent form an equatorial oxo ligand instead of the sulfido ligand. Despite this structural difference, inactive samples of DgAOR can be activated upon incubation with dithionite plus sulfide, a procedure similar to that used for activation of desulfo-XO. The fact that DgAOR does not need a sulfido ligand for catalysis indicates that the process leading to the activation of inactive DgAOR samples is different to that of desulfo-XO. We now report a combined kinetic and X-ray crystallographic study to unveil the enzyme modification responsible for the inactivation and the chemistry that occurs at the Mo site when DgAOR is activated. In contrast to XO, which is activated by resulfuration of the Mo site, DgAOR activation/inactivation is governed by the oxidation state of the dithiolene moiety of the pyranopterin cofactor, which demonstrates the non-innocent behavior of the pyranopterin in enzyme activity. We also showed that DgAOR incubation with dithionite plus sulfide in the presence of dioxygen produces hydrogen peroxide not associated with the enzyme activation. The peroxide molecule coordinates to molybdenum in a η(2 fashion inhibiting the enzyme activity.

  6. USSR Report Chemistry

    National Research Council Canada - National Science Library


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

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

    Rawls, Rebecca


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

  8. In-vitro cytotoxic activities of poly(2-ethyl-2-oxazoline-based amphiphilic block copolymers prepared by CuAAC click chemistry

    Directory of Open Access Journals (Sweden)

    S. Gulyuz


    Full Text Available Synthesis and characterization of well-defined amphiphilic block copolymers containing poly(2-ethyl-2-oxazoline as hydrophilic block and poly(ε-caprolactone or poly(L-lactide as hydrophobic block is achieved by copper-catalyzed azide-alkyne cycloaddition (CuAAC click chemistry. The clickable precursors, α-alkyne-functionalized poly(ε-caprolactone and poly(L-lactide and ω-azido-functionalized poly(2-ethyl-2-oxazoline are simply prepared and joined using copper sulfate/ascorbic acid catalyst system at room temperature. The structures of precursors and amphiphilic block copolymers are characterized by spectroscopic, chromatographic and thermal analyses. The cytotoxic activities of resulting amphiphilic block copolymers and their precursors are investigated in the prostate epithelial and cancer cells under in-vitro conditions. The treatment of the healthy prostate epithelial cell line PNT1A reveals that no significant cytotoxicity, whereas some significant toxic effects on the prostate cancer cell lines are observed.

  9. Effect of surface chemistry, solution pH, and ionic strength on the removal of herbicides diuron and amitrole from water by an activated carbon fiber. (United States)

    Fontecha-Cámara, M A; López-Ramón, M V; Alvarez-Merino, M A; Moreno-Castilla, C


    A study was conducted on the effects of carbon surface chemistry, solution pH, and ionic strength on the removal of diuron and amitrole from aqueous solutions by adsorption on an as-received and oxidized activated carbon fiber. Results obtained were explained by the surface characteristics of the adsorbents and the characteristics of the herbicide molecules. Under the experimental conditions used, diuron uptake was much higher than that of amitrole, despite its larger molecular dimensions, due to the lesser water solubility, greater hydrophobicity, and larger dipolar moment of diuron compared with amitrole. Uptake variations associated with differences in carbon surface oxidation, solution pH, and ionic strength were explained by corresponding changes in electrostatic, hydrophobic, and van der Waals interactions.

  10. Coordination Chemistry of Polyaromatic Thiosemicarbazones 2: Synthesis and Biological Activity of Zinc, Cobalt, and Copper Complexes of 1-(Naphthalene-2-ylethanone Thiosemicarbazone

    Directory of Open Access Journals (Sweden)

    Marc-Andre LeBlanc


    Full Text Available A novel thiosemicarbazone from 2-acetonaphthone (represented as acnTSC has been synthesized and its basic coordination chemistry with zinc(II, cobalt(II, and copper(II explored. The complexes were characterized by elemental analysis and various spectroscopic techniques and are best formulated as [M(acnTSC2Cl2] with the metal likely in an octahedral environment. The anticancer activity of the complexes was determined against a panel of human colon cancer cells (HCT-116 and Caco-2. The compounds bind to DNA via an intercalative mode with binding constants of 9.7×104 M-1, 1.8×105 M-1, and 9.5×104 M-1 for the zinc, cobalt, and copper complexes, respectively.

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

    Saito, Naoki; Morita, Takashi


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

  12. Chemistry of Cigarette Burning Processes

    Directory of Open Access Journals (Sweden)

    Chen P


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

  13. The influence of modified water chemistries on metal oxide films, activity build-up and stress corrosion cracking of structural materials in nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Maekelae, K.; Laitinen, T.; Bojinov, M. [VTT Manufacturing Technology, Espoo (Finland)


    The primary coolant oxidises the surfaces of construction materials in nuclear power plants. The properties of the oxide films influence significantly the extent of incorporation of actuated corrosion products into the primary circuit surfaces, which may cause additional occupational doses for the maintenance personnel. The physical and chemical properties of the oxide films play also an important role in different forms of corrosion observed in power plants. This report gives a short overview of the factors influencing activity build-up and corrosion phenomena in nuclear power plants. Furthermore, the most recent modifications in the water chemistry to decrease these risks are discussed. A special focus is put on zinc water chemistry, and a preliminary discussion on the mechanism via which zinc influences activity build-up is presented. Even though the exact mechanisms by which zinc acts are not yet known, it is assumed that Zn may block the diffusion paths within the oxide film. This reduces ion transport through the oxide films leading to a reduced rate of oxide growth. Simultaneously the number of available adsorption sites for {sup 60}Co is also reduced. The current models for stress corrosion cracking assume that the anodic and the respective cathodic reactions contributing to crack growth occur partly on or in the oxide films. The rates of these reactions may control the crack propagation rate and therefore, the properties of the oxide films play a crucial role in determining the susceptibility of the material to stress corrosion cracking. Finally, attention is paid also on the novel techniques which can be used to mitigate the susceptibility of construction materials to stress corrosion cracking. (orig.) 127 refs.

  14. One-pot synthesis of new triazole--Imidazo[2,1-b][1,3,4]thiadiazole hybrids via click chemistry and evaluation of their antitubercular activity. (United States)

    Ramprasad, Jurupula; Nayak, Nagabhushana; Dalimba, Udayakumar; Yogeeswari, Perumal; Sriram, Dharmarajan


    A new series of triazole-imidazo[2,1-b][1,3,4]thiadiazole hybrids (6a-s, 7a) were designed by a molecular hybridisation approach and the target molecules were synthesized via one pot click chemistry protocol. All the intermediates and final molecules were characterised using spectral methods and one of the target compounds (6c) was analysed by the single crystal XRD study. The derivatives were screened for their antimycobacterial activity against Mycobacterium tuberculosis H37Rv strain. Two compounds, 6f and 6n, demonstrated significant growth inhibitory activity against the bacterial strain with a MIC of 3.125 μg/mL. The presence of chloro substituent on the imidazo[2,1-b][1,3,4]thiadiazole ring and ethyl, benzyl or cyanomethylene groups on the 1,2,3-triazole ring enhance the inhibition activity of the molecules. The active compounds are not toxic to a normal cell line which signifies the lack of general cellular toxicity of these compounds. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. [Chemistry of polysaccharide Lzps-1 from Ganoderma lucidum spore and anti-tumor activity of its total polysaccharides]. (United States)

    Jiang, Yan; Wang, Hao; Lü, Long; Tian, Geng-yuan


    To study the structure and anti-tumor activity of polysaccharide from Ganoderma lucidum spore treated with microwave. DEAE-cellulose and Sephadex G-50 column chromatography were used to isolate and purify the polysaccharide whose structure was characterized by using chemical and spectral methods. One polysaccharide, named Lzps-1 was obtained from the water extract, with its molecular weight estimated by HPGPC to be 8000. Its structure was investigated to be glucan. The total polysaccharides, Lzps processed antitumor activity against sarcoma 180 and Lewis lung cancer in mice and enhanced the NK cell activity. Lzps-1 is obtained for the first time from Ganoderma spore Lzps has anti-tumor activity.

  16. Experimentally calibrated computational chemistry of tryptophan hydroxylase: Trans influence, hydrogen-bonding, and 18-electron rule govern O-2-activation

    DEFF Research Database (Denmark)

    Haahr, Lærke Tvedebrink; Kepp, Kasper Planeta; Boesen, Jane


    a two-state scenario involving Ohis and Pglu is possible. A structure of the activated deoxy state which is high-spin implies that the valence electron count has been lowered from 18 to 16 (glutamate becomes bidentate), giving a “green light” that invites O2-binding. Our mechanism of oxygen activation...

  17. 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.

  18. 'Click Chemistry' Synthesis of Novel Natural Product-Like Caged Xanthones Bearing a 1,2,3-Triazole Moiety with Improved Druglike Properties as Orally Active Antitumor Agents. (United States)

    Li, Xiang; Wu, Yue; Wang, Yanyan; You, Qidong; Zhang, Xiaojin


    DDO-6101, a natural-product-like caged xanthone discovered previously in our laboratory based on the pharmacophoric scaffold of the Garcinia natural product gambogic acid (GA), shows potent cytotoxicity in vitro, but poor efficacy in vivo due to its poor druglike properties. In order to improve the druglike properties and in vivo antitumor potency, a novel series of ten triazole-bearing caged xanthone derivatives of DDO-6101 has been efficiently synthesized by 'click chemistry' and evaluated for their in vitro antitumor activity and druglike properties. Most of the target compounds have sustained cytotoxicity against A549, HepG2, HCT116, and U2OS cancer cells and possess improved aqueous solubility, as well as permeability. Notably, these caged xanthones are also active towards taxol-resistant or cisplatin-resistant A549 cancer cells. Taking both the in vitro activities and druglike properties into consideration, compound 8g has been advanced into in vivo efficacy experiments. The results reveal that 8g (named as DDO-6318), both by intravenous or per os administration, are much more potent than the lead DDO-6101 in A549-transplanted mice models and it could be a promising antitumor candidate for further evaluation.

  19. Creating a Context for Chemistry (United States)

    Truman Schwartz, A.

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

  20. Publicising chemistry in a multicultural society through chemistry outreach

    Directory of Open Access Journals (Sweden)

    Joyce D. Sewry


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

  1. Green chemistry: A tool in Pharmaceutical Chemistry


    Smita Talaviya; Falguni Majumdar


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

  2. Determining the Quantum Efficiency for Activation of an Organometallic Photoinitiator for Cationic Polymerization: An Experiment for the Physical or Inorganic Chemistry Laboratory (United States)

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


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

  3. Reduction of 68Ge activity containing liquid waste from 68Ga PET chemistry in nuclear medicine and radiopharmacy by solidification

    NARCIS (Netherlands)

    E. de Blois (Erik); H.S. Chan (Ho Sze); K. Roy (Kamalika); E.P. Krenning (Eric); W.A.P. Breeman (Wouter)


    textabstractPET with68Ga from the TiO2- or SnO2- based68Ge/68Ga generators is of increasing interest for PET imaging in nuclear medicine. In general, radionuclidic purity (68Ge vs.68Ga activity) of the eluate of these generators varies between 0.01 and 0.001%. Liquid waste containing low amounts

  4. Green Synthesis, Spectrofluorometric Characterization and Antibacterial Activity of Heterocyclic Compound from Chalcone on the Basis of in Vitro and Quantum Chemistry Calculation. (United States)

    Khan, Salman A


    2-amino-4-(4-bromophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (ABDC) was synthesized by the reaction of (2E)-2-(4 bromobenzylidene) - 6 -methoxy-3,4-dihydronaphthalen-1(2H)-one (Chalcone) with malononitrile and ammonium acetate under microwave irradiation. Chalcone was synthesised by the reaction 4-bromobenzaldehyd, 6-methoxy-1,2,3,4-tetrahydro-naphthalin-1-one under the same condition. Structure of ABDC was conformed by (1)H and (13)C NMR, FT-IR, EI-MS spectral studies and elemental analysis. The electronic absorption and fluorescence spectra of ABDC have been studied in solvents of different polarities, and the data were used to study the solvatochromic properties such as excitation coefficient, stokes shift, oscillator strength, transition dipole moment and fluorescence quantum yield. The absorption maximum and fluorescence emission maximum was observed red shift when increase solvent polarity n-Hexane to DMSO. ABDC undergoes solubilization in different micelles and may be used as a probe and quencher to determine the critical micelle concentration (CMC) of CTAB and SDS. The anti-bacterial activity of chalcone and its cyclized product ABDC was tested in vitro by the disk diffusion assay against two Gram-positive and two Gram-negative bacteria was determined with the reference of standard drug Tetracycline. Results showed that the ABDC is better anti-bacterial agent as compared to chalcone. The anti-bacterial activity was further supported by the quantum chemistry calculation.

  5. Detection of O-propargyl-puromycin with SUMO and ubiquitin by click chemistry at PML-nuclear bodies during abortive proteasome activities. (United States)

    Uozumi, Naoki; Matsumoto, Hotaru; Saitoh, Hisato


    The amino-nucleoside antibiotic, puromycin, acts by covalently linking to elongating polypeptide chains on ribosomes to generate prematurely terminated immature polypeptides. The trafficking of puromycin-conjugated (puromycylated) immature polypeptides within cell has, however, remained elusive. In this study, using O-propargyl-puromycin (OP-Puro), the distribution of puromycylated polypeptides was assessed in HeLa cells by click chemistry. Under standard culture conditions, OP-Puro signals were detected in the cytoplasm and nucleus with the highest concentrations in the nucleolus. Intriguingly, when proteasome activities were aborted using MG132, OP-Puro signals began to accumulate at promyelocytic leukemia nuclear bodies (PML-NBs) in addition to the nucleolus. We also found promiscuous association of OP-Puro signals with SUMO-2/3 and ubiquitin at PML-NBs, but not at the nucleolus, during abortive proteasome activities. This study reveals a previously unknown distribution of OP-Puro that argues for a nuclear function in regulating immature protein homeostasis. Copyright © 2016 Elsevier Inc. All rights reserved.

  6. The MOF-driven synthesis of supported palladium clusters with catalytic activity for carbene-mediated chemistry (United States)

    Fortea-Pérez, Francisco R.; Mon, Marta; Ferrando-Soria, Jesús; Boronat, Mercedes; Leyva-Pérez, Antonio; Corma, Avelino; Herrera, Juan Manuel; Osadchii, Dmitrii; Gascon, Jorge; Armentano, Donatella; Pardo, Emilio


    The development of catalysts able to assist industrially important chemical processes is a topic of high importance. In view of the catalytic capabilities of small metal clusters, research efforts are being focused on the synthesis of novel catalysts bearing such active sites. Here we report a heterogeneous catalyst consisting of Pd4 clusters with mixed-valence 0/+1 oxidation states, stabilized and homogeneously organized within the walls of a metal-organic framework (MOF). The resulting solid catalyst outperforms state-of-the-art metal catalysts in carbene-mediated reactions of diazoacetates, with high yields (>90%) and turnover numbers (up to 100,000). In addition, the MOF-supported Pd4 clusters retain their catalytic activity in repeated batch and flow reactions (>20 cycles). Our findings demonstrate how this synthetic approach may now instruct the future design of heterogeneous catalysts with advantageous reaction capabilities for other important processes.

  7. Chemistry and Selective Tumor Cell Growth Inhibitory Activity of Polyketides from the South China Sea Sponge Plakortis sp. (United States)

    Li, Jiao; Li, Cui; Riccio, Raffaele; Lauro, Gianluigi; Bifulco, Giuseppe; Li, Tie-Jun; Tang, Hua; Zhuang, Chun-Lin; Ma, Hao; Sun, Peng; Zhang, Wen


    Simplextone E (1), a new metabolite of polyketide origin, was isolated with eight known analogues (2-9) from the South China Sea sponge Plakortis sp. The relative configuration of the new compound was elucidated by a detailed analysis of the spectroscopic data and quantum mechanical calculation of NMR chemical shifts, aided by the newly reported DP4+ approach. Its absolute configuration was determined by the TDDFT/ECD calculation. Simplextone E (1) is proven to be one of the isomers of simplextone D. The absolute configuration at C-8 in alkyl chain of plakortone Q (2) was also assigned based on the NMR calculation. In the preliminary in vitro bioassay, compounds 6 and 7 showed a selective growth inhibitory activity against HCT-116 human colon cancer cells with IC50 values of 8.3 ± 2.4 and 8.4 ± 2.3 μM, corresponding to that of the positive control, adriamycin (IC50 4.1 μM). The two compounds also showed selective activities towards MCF-7 human breast cancer and K562 human erythroleukemia cells while compound 3 only displayed weak activity against K562 cells.

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

    Lehn, Jean-Marie


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

  9. A new diamantane functionalized tris(aryloxide) ligand system for small molecule activation chemistry at reactive uranium complexes

    Energy Technology Data Exchange (ETDEWEB)

    Lam, O.P.; Heinemann, F.W.; Meyer, K. [Department of Chemistry and Pharmacy, Inorganic Chemistry, University Erlangen-Nuremberg, Erlangen (Germany); Lam, O.P. [University of California, San Diego, Department of Chemistry and Biochemistry, La Jolla, CA (United States)


    The diamantane functionalized triazacyclononane ligand ({sup Dia}ArOH){sub 3}tacn (L{sub 3}) has been synthesized and the reactivity of its U(III) metallated product [(({sup Dia}ArO){sub 3}tacn)U] (1) has been explored. Complex 1 promotes dichloromethane and azido-trimethyl-silane activation to generate U(IV) complex [(({sup Dia}ArO){sub 3}tacn)U(Cl)] (2) and U(V) complex [(({sup Dia}ArO){sub 3}tacn)U(NTMS)] (3), respectively. Spectroscopic investigations of complexes 1, 2, and 3 will be discussed, along with molecular structures where possible. (authors)

  10. Food Chemistry


    Santos, P. Veiga; Oliveira, L. M.; Cereda, M. P.; Scamparini, Adilma Regina Pippa


    RESTRITO The effect of sucrose and inverted sugar as plasticisers on mechanical properties, hydrophilicity and water activity of cassava starch films has been studied. Other additives (gelatin, soybean oil, sodium phosphate and propylene glycol) and pH effect have also been investigated, using the same parameters. Sucrose addition resulted in the highest effect observed on cassava starch films elongation at break, however inverted sugar also had a great effect on this property. Th...

  11. Methylene bridge regulated geometrical preferences of ligands in cobalt(III) coordination chemistry and phenoxazinone synthase mimicking activity. (United States)

    Panja, Anangamohan; Shyamal, Milan; Saha, Amrita; Mandal, Tarun Kanti


    Two new azide bound cobalt(III) complexes, [Co(L(1))(N3)3] (fac-1) and [Co(L(2))(N3)3] (mer-2), where L(1) is bis(2-pyridylmethyl)amine and L(2) is (2-pyridylmethyl)(2-pyridylethyl)amine, derived from tridentate reduced Schiff-base ligands have been reported. Interestingly, a methylene bridge regulated preferential coordination mode of ligands is noticed in their crystal structures: it is found in a facial arrangement in fac-1 and has a meridional disposition in mer-2. Both complexes show phenoxazinone synthase-like activity and the role of the structural factor on the catalytic activity is also explored. Moreover, the easily reducible cobalt(III) center in mer-2 favors the oxidation of o-aminophenol. The ESI-MS positive spectra together with UV-vis spectroscopy clearly suggest the formation of a catalyst-substrate adduct by substitution of the coordinated azide ions in the catalytic cycle.

  12. 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:

  13. Recent advances in the chemistry and pharmacological activity of new steroidal antiandrogens and 5 alpha-reductase inhibitors. (United States)

    Bratoeff, Eugene; Cabeza, Marisa; Ramirez, Elena; Heuze, Yvonne; Flores, Eugenio


    The object of this paper is to summarize for the past two years the most recent development in the field of prostate cancer and 5 alpha-reductase inhibitors. In addition we are also including some results on the synthesis and pharmacological evaluation of new steroidal compounds developed in our laboratory. Most of the new steroidal derivatives are based on the progesterone skeleton and showed a high inhibitory activity for the enzyme 5 alpha-reductase. Presently, similar compounds are used for the treatment of androgen dependent diseases such as: hirsutism, androgenic alopecia, benign prostatic hyperplasia and prostate cancer. Dihydrotestosterone 2 (Fig. 1) a 5 alpha-reduced metabolite of testosterone 1 has been implicated as a causative factor for the progression of these diseases, largely through the clinical evaluation of males who are genetically deficient of the enzyme steroid 5 alpha-reductase. As a result of this study, the inhibition of this enzyme has become a pharmacological strategy for the design and synthesis of new antiandrogenic drugs. The advent of finasteride 7 (Fig. 3) a 5 alpha-reductase inhibitor has greatly alleviated the symptoms associated with benign prostatic hyperplasia. In our laboratory, we recently synthesized several new 16 beta-methylpregnadiene-3,20-diones: 40, 41 (Fig. 8), 16 beta-phenylpregnadiene-3,17a-dione derivatives 46 and 47 (Fig. 9) and 49 (C-4 bromoderivative) (Fig. 11), 52-56 (Fig. 13). The analogue pregnatriene derivatives were also prepared: 44, 45 (Fig. 9) 50, 51 (Fig. 11) and 57-60 (Fig. 13) These compounds were evaluated as 5 alpha-reductase inhibitors in the following biological models: Penicillium crustosum broths, the flank organs of gonadectomized male hamsters, the incorporation of radiolabeled sodium acetate into lipids, the effect of the new steroids on the reduction of the weight of the seminal vesicles and on the in vitro metabolism of [3H]T to [3H]DHT in seminal vesicles of homogenates of gonadectomized

  14. Ovicidal Activity of Organophosphate, Oxadiazine, Neonicotinoid and Insect Growth Regulator Chemistries on Northern Strain Plum Curculio, Conotrachelus nenuphar (United States)

    Hoffmann, Eric J.; Middleton, Samantha M.; Wise, John C.


    An in vitro method was developed for assessing ovicidal effects of the organophosphate azinphos-methyl, the neonicotioids thiacloprid, thiamethoxam and clothianidin, the oxadiazine indoxacarb and the insect growth regulators novaluron and pyriproxifen on the plum curculio, Conotrachelus nenuphar (Herbst)(Coleoptera: Curculionidae). The baseline survivorship of this method was 88 percent. Plum curculio eggs were most sensitive to azinphos-methyl. Thiacloprid, clothianidin and the chitin synthesis inhibitor, novaluron, had LC50 values below 100 ppm. Thiamethoxam, indoxacarb and pyriproxifen were not ovicidal at 100 ppm. Octanol-water partitioning coefficients, log Kow, appeared to be an important indicator of ovicidal activity within the neonicotinoids. This new bioassay method eliminates the confounding of the insect-chemical and plant-chemical interactions and the results highlight the utility of a post-infestation curative approach to plum curculio management.

  15. Environmental chemistry: Volume A

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T.F.


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

  16. A dictionary of chemistry

    National Research Council Canada - National Science Library

    Daintith, John


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

  17. Organometallic Chemistry of Molybdenum. (United States)

    Lucas, C. Robert; Walsh, Kelly A.


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

  18. Advanced Chemistry Laboratory (United States)

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

  19. Single-Site VO x Moieties Generated on Silica by Surface Organometallic Chemistry: A Way To Enhance the Catalytic Activity in the Oxidative Dehydrogenation of Propane

    KAUST Repository

    Barman, Samir


    We report here an accurate surface organometallic chemistry (SOMC) approach to propane oxidative dehydrogenation (ODH) using a μ2-oxo-bridged, bimetallic [V2O4(acac)2] (1) (acac = acetylacetonate anion) complex as a precursor. The identity and the nuclearity of the product of grafting and of the subsequent oxidative treatment have been systematically studied by means of FT-IR, Raman, solid-state (SS) NMR, UV-vis DRS, EPR and EXAFS spectroscopies. We show that the grafting of 1 on the silica surface under a rigorous SOMC protocol and the subsequent oxidative thermal treatment lead exclusively to well-defined and isolated monovanadate species. The resulting material has been tested for the oxidative dehydrogenation of propane in a moderate temperature range (400-525 °C) and compared with that of silica-supported vanadium catalysts prepared by the standard impregnation technique. The experimental results show that the catalytic activity in propane ODH is strongly upgraded by the degree of isolation of the VOx species that can be achieved by employing the SOMC protocol. © 2016 American Chemical Society.

  20. An analysis of clinical consultation activities in clinical chemistry: implications for transformation and resident training in chemical pathology. (United States)

    Schmidt, Robert L; Garcia, Christopher A; Panlener, Jeanne; Ashwood, Edward R; Jackson, Brian R; Hussong, Jerry W


    Clinical consultation is a key role of pathologists. Many have advocated that pathologists expand their consulting activities to improve laboratory utilization. Although many have suggested that residency programs need to provide experience in clinical consultation, little has been written on the nature of consultation or on the methods of training. To characterize the content of consultations and to describe training in consultation in chemical pathology within the residency program at the University of Utah, Salt Lake City. Retrospective review of the consultation database for the period between July 2011 and July 2012. Residents performed an average of 159 consultations a month covering 276 topics during the course of a year. Each topic involved 1 or more specific tests. Eighty percent of the topics received fewer than 12 calls. The most common topics involved virus testing (eg, hepatitis B virus, hepatitis C virus, human immunodeficiency virus). Consultations most often involved test interpretation (53%), selection (38%), and performance characteristics (21%). Twenty-seven percent of consultations involved 2 or more consultation categories (eg, interpretation and performance). Consultation calls in chemical pathology are widely distributed across topics. Consultations most often involve test interpretation and selection. Methods to assess the effectiveness of consultations and resident teaching should be devised.

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

    Erker, Gerhard


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

  2. Chemistry is Evergreen

    Indian Academy of Sciences (India)


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

  3. Green Chemistry and Education. (United States)

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


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

  4. American Association for Clinical Chemistry (United States)

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

  5. Complex Protostellar Chemistry (United States)

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


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

  6. The New Color of Chemistry: Green Chemistry

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK


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

  7. Surface chemistry essentials

    CERN Document Server

    Birdi, K S


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

  8. Green Chemistry, Sustainable Economy and Quality of Life


    Vitor F. Ferreira; Universidade Federal Fluminense; David R. da Rocha; Universidade Federal Fluminense; Fernando de C. da Silva; Universidade Federal Fluminense


    Despite the early problems related to industrial activities related to chemistry date back to the early twentieth century, issues such as green chemistry and sustainability were already some time ago being discussed in academic and industrial environment. Green chemistry is good for the environment, human health and the economy, but there are still many mysteries in “green”. In this article, the authors attempt to repackage the "green" concept  of the chemistry focused on the needs of develop...

  9. Training of chemistry teachers for sustainable development (United States)

    Gilmanshina, S. I.; Sagitova, R. N.; Melnikov, G. F.; Fedotova, R. R.


    Proposed and piloted teacher training plan containing elements of the concept of sustainable development. teacher training plan includes the development of general and specialized courses in chemical disciplines, organization of activities, taking into account the principles of Green Chemistry.

  10. Presidential Green Chemistry Challenge: 2008 Academic Award (United States)

    Presidential Green Chemistry Challenge 2008 award winners, Professors Robert E. Maleczka, Jr. and Milton R. Smith, III, developed halogen-free, catalytic C-H activation/borylation to make aryl and heteroaryl boronic esters.

  11. Presidential Green Chemistry Challenge: 1999 Academic Award (United States)

    Presidential Green Chemistry Challenge 1999 award winner, Professor Terry Collins, developed a series of TAML oxidant activators that work with hydrogen peroxide to replace chlorine bleaches for paper making and laundry.

  12. The New Color of Chemistry: Green Chemistry


    Zuhal GERÇEK


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

  13. Advances in analytical chemistry (United States)

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


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

  14. FIGAERO ToF CIMS measurements of chlorine photochemical activation by nitryl chloride chemistry at a semi-rural site in Beijing (United States)

    Le Breton, Michael; Hallquist, Åsa M.; Kant Pathak, Ravi; Simpson, David; Wang, Yujue; Zheng, Jing; Yang, Yudong; Shang, Dongjie; Wang, Haichao; Lu, Keding; Guo, Song; Hu, Min; Hallquist, Mattias


    implemented into steady state calculations using the Master Chemical Mechanism (MCM) to assess how the daytime activation of chlorine competes with OH as a dominant oxidant in this heavily polluted region. The reactions of atomic chlorine with VOCs are traced and assessed via the gas and particle phase measurements of chlorinated VOCs and supporting Proton Transfer Reaction Mass Spectrometer (PTR MS) VOC measurements. This provides the first high frequency measurements of unique tracers for chlorine atom chemistry, several of which are represented in the MCM, in both the gas and particle phase and enable the detailed assessment of their diurnal variation and importance for photochemical smog formation.

  15. Green Goggles: Designing and Teaching a General Chemistry Course to Nonmajors Using a Green Chemistry Approach (United States)

    Prescott, Sarah


    A novel course using green chemistry as the context to teach general chemistry fundamentals was designed, implemented and is described here. The course design included an active learning approach, with major course graded components including a weekly blog entry, exams, and a semester project that was disseminated by wiki and a public symposium.…

  16. Tropospheric Halogen Chemistry (United States)

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


    processes. Early work by Cauer (1951) had shown that Cl/Na and Cl/Mg ratios were lower in air than in seawater, indicating loss of chlorine by "acid displacement" from sea salt by the strong acids, H2SO4 (Eriksson (1959a, b) and HNO3 (Robbins et al., 1959). Already the first measurements of bromine in aerosols by Duce et al. (1963) showed that bromine, like chlorine, was lost from the sea salt particles, whereas iodine was strongly enriched ( Duce et al., 1965). Research since the early 1980s has shown that photochemical processes are actively involved.Interest in the chemistry of atmospheric halogens took a steep upward surge after it was postulated that the release of industrially produced halocarbons, in particular the chlorofluorocarbons (CFCs), CFCl3, and CF2Cl2, could cause severe depletions in stratospheric ozone (Molina and Rowland, 1974) by the reactions involving the CFC photolytic product radicals, Cl and ClO, as catalysts. The first stratospheric measurements of ClO did indeed show its presence in significant quantities in the stratosphere so that by the end of the 1970s USA, Canada, and the Scandinavian countries issued laws against the use of CFC gases as propellants in spray cans. In the mid-1980s the springtime stratospheric ozone hole over Antarctica was discovered by Farman et al. (1985), involving heterogeneous reactions on polar stratospheric clouds that lead to chlorine activation ( Solomon et al., 1986). Ten years later, in 1996, a complete phaseout ofthe production of the CFCs and a number of other chlorine- or bromine-containing chemicals came into effect for all nations in the developed world. In this contribution we will, however, concentrate on the impact of reactive chlorine, bromine, and iodine on tropospheric ozone chemistry.Halogens have the potential to be important in many facets of tropospheric chemistry. A multitude of gas phase reactions and gas-particle interactions occur that include coupling with the sulfur cycle and reactions with

  17. Bioconjugation in pharmaceutical chemistry. (United States)

    Veronese, F M; Morpurgo, M


    Polymer conjugation is of increasing interest in pharmaceutical chemistry for delivering drugs of simple structure or complex compounds such peptides, enzymes and oligonucleotides. For long time drugs, mainly with antitumoral activity, have been coupled to natural or synthetic polymers with the purpose of increasing their blood permanence time, taking advantage of the increased mass that reduces kidney ultrafiltration. However only recently complex constructs were devised that exploit the 'enhanced permeability and retention' (EPR) effect for an efficient tumor targeting, the high molecular weight for adsorption or receptor mediated endocytosis and finally a lysosomotropic targeting, taking advantage of acid labile bonds or cathepsin susceptible polypeptide spacers between polymer and drug. New original, very active conjugates of this type, as those based on poly(hydroxyacrylate) polymers, are already in advanced state of development. Labile oligonucleotides, including antisense drugs, were also successfully coupled to polymers in view of an increased cell penetration and stabilization towards nucleases. However, the most active research activity resides in the field of polypeptides and proteins delivery, mainly for the two following reasons: first of all because a great number of therapeutically interesting compounds are now being produced by genetic engineering in large quantity and, secondly, because these products are difficult to administer to patients for several inherent drawbacks. Proteins are in fact easily digested by many endo- and exo-peptidases present in blood or in other body districts; most of them are immunogenic to some extent and, finally, they are rapidly excreted by kidney ultrafiltration. Covalent polymer conjugation at protein surface was demonstrated to reduce or eliminate these problems, since the bound polymer behaves like a shield hindering the approach of proteolytic enzymes, antibodies, or antigen processing cell. Furthermore, the

  18. Journal of Business Chemistry



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

  19. Orbital interactions in chemistry

    CERN Document Server

    Albright, Thomas A; Whangbo, Myung-Hwan


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

  20. Presidential Green Chemistry Challenge: 2001 Small Business Award (United States)

    Presidential Green Chemistry Challenge 2001 award winner, EDEN Bioscience, discovered and commercialized harpins: nontoxic, naturally occurring, biodegradable proteins that activate a plant's defense and growth mechanisms.

  1. USSR Report, Chemistry

    National Research Council Canada - National Science Library


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

  2. Advances in quantum chemistry

    CERN Document Server

    Sabin, John R


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

  3. Canopy Chemistry (OTTER) (United States)

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

  4. Solution phase combinatorial chemistry. (United States)

    Merritt, A T


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

  5. Elements of environmental chemistry

    National Research Council Canada - National Science Library

    Hites, R. A; Raff, Jonathan D


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

  6. Computational Chemistry for Kids

    National Research Council Canada - National Science Library

    Naef, Olivier


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

  7. Green Chemistry Pedagogy (United States)

    Kolopajlo, Larry


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

  8. Medicinal Chemistry and Molecular Modeling: An Integration to Teach Drug Structure-Activity Relationship and the Molecular Basis of Drug Action (United States)

    Carvalho, Ivone; Borges, Aurea D. L.; Bernardes, Lilian S. C.


    The use of computational chemistry and the protein data bank (PDB) to understand and predict the chemical and molecular basis involved in the drug-receptor interactions is discussed. A geometrical and chemical overview of the great structural similarity in the substrate and inhibitor is provided.

  9. Radiological and Environmental Research Division annual report: Fundamental Molecular Physics and Chemistry, October 1977-September 1978. [Summary of research activities at Argonne National Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Rowland, R. E.; Inokuti, Mitio [eds.


    Research presented includes 32 papers, six of which have appeared previously in ERA, and 26 appear in this issue of ERA. Molecular physics and chemistry including photoionization, molecular properties, oscillator strengths, scattering, shape resonances, and photoelectrons are covered. A list of publications is included. (JFP)

  10. Phenolics: From Chemistry to Biology


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


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

  11. Intermediate-energy nuclear chemistry workshop

    Energy Technology Data Exchange (ETDEWEB)

    Butler, G.W.; Giesler, G.C.; Liu, L.C.; Dropesky, B.J.; Knight, J.D.; Lucero, F.; Orth, C.J.


    This report contains the proceedings of the LAMPF Intermediate-Energy Nuclear Chemistry Workshop held in Los Alamos, New Mexico, June 23-27, 1980. The first two days of the Workshop were devoted to invited review talks highlighting current experimental and theoretical research activities in intermediate-energy nuclear chemistry and physics. Working panels representing major topic areas carried out indepth appraisals of present research and formulated recommendations for future research directions. The major topic areas were Pion-Nucleus Reactions, Nucleon-Nucleus Reactions and Nuclei Far from Stability, Mesonic Atoms, Exotic Interactions, New Theoretical Approaches, and New Experimental Techniques and New Nuclear Chemistry Facilities.

  12. Modern Trends in Inorganic Chemistry

    Indian Academy of Sciences (India)


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

  13. Chemistry in Microfluidic Channels (United States)

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


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

  14. Exercises in Computational Chemistry

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens


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

  15. The Breath of Chemistry

    DEFF Research Database (Denmark)

    Josephsen, Jens

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

  16. Movies in Chemistry Education (United States)

    Pekdag, Bulent; Le Marechal, Jean-Francois


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

  17. Chemistry of americium

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, W.W.


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

  18. 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:

  19. Transuranic Computational Chemistry. (United States)

    Kaltsoyannis, Nikolas


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

  20. Biosynthetic inorganic chemistry. (United States)

    Lu, Yi


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

  1. From Metalloproteins to Coordination Chemistry: A Learning Exercise to Teach Transition Metal Chemistry (United States)

    Reglinski, John; Graham, Duncan; Kennedy, Alan R.; Gibson, Lorraine T.


    An exercise is organized to reinforce the fundamental rules of coordination chemistry through a biological study of metalloproteins. The work, which is divided into four well-defined activities, involves a major application of computer databases to address chemical problems.

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

    Murfin, Brian


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

  3. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G


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

  4. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T


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

  5. Spatially Resolved Artificial Chemistry

    DEFF Research Database (Denmark)

    Fellermann, Harold


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

  6. Experiments in physical chemistry

    CERN Document Server

    Wilson, J M; Denaro, A R


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

  7. Atmospheric and aerosol chemistry

    Energy Technology Data Exchange (ETDEWEB)

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


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

  8. Indicators: Soil Chemistry (United States)

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

  9. Microfluidics in inorganic chemistry. (United States)

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


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

  10. Supplemental instruction in chemistry (United States)

    Lundeberg, Mary A.

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

  11. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

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

  12. Applications of supramolecular chemistry

    CERN Document Server

    Schneider, Hans-Jörg


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

  13. Fundamentals of quantum chemistry

    CERN Document Server

    House, J E


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

  14. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T


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

  15. Tropical Soil Chemistry

    DEFF Research Database (Denmark)

    Borggaard, Ole K.

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

  16. Impact of surface chemistry (United States)

    Somorjai, Gabor A.; Li, Yimin


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

  17. Strong deviations from the NO-NO2-O3 photostationary state in the Pearl River Delta: Indications of active peroxy radical and chlorine radical chemistry (United States)

    Ma, Yufang; Lu, Keding; Chou, Charles C.-K.; Li, Xiaoqian; Zhang, Yuanhang


    Simultaneous measurements of meteorological data, trace gases, and volatile organic compounds were made in two regional sites, viz. Backgarden and Kaiping, in the Pearl River Delta (PRD) during summer and autumn, respectively. The strong deviations from the NO-NO2-O3 Photostationary State, quantified by the leighton ratios, are carefully deduced through a comprehensive data set consist of the high-quality measurements of NO, NO2, O3 and JNO2 as well as the peroxy radical measurements. This is the first report of the Leighton ratio in China, with relatively high recorded values of 2.3 ± 0.4 (Backgarden) and 3.1 ± 1.4 (Kaiping), suggesting a strongly oxidising atmosphere in the PRD, typical of the ozone pollution season. A sensitivity analysis using a zero-dimensional chemical box model based on the regional atmospheric chemistry mechanism, version 2 (RACM2) constrained by the experimental measurements, indicated that peroxy radicals account for 70 (Backgarden) and 66% (Kaiping) of the observed positive deviations from the NOx photostationary state (characterized by a Leighton ratio of 1) on average. We consider that the remaining deviations result from neglecting the effects of chlorine chemistry, so we introduced a Cl chemistry module into RACM2, and the modelled results for Cl were as follows: 4.7 × 10-4 pptv in Backgarden and 1.3 × 10-3 pptv in Kaiping; these results are lower than the Cl concentration derived from the NOx photostationary state. More work is required to confirm the role of additional peroxy radical sources at both high and low NOx regimes, as well as that of the halogen radicals, in perturbing the NO-NOx-O3 cycle, which would significantly enhance trace gas removal and photochemical ozone production.

  18. The Redox Chemistry and Chemical Biology of H2S, Hydropersulfides and Derived Species: Implications to Their Possible Biological Activity and Utility (United States)

    Ono, Katsuhiko; Akaike, Takaake; Sawa, Tomohiro; Kumagai, Yoshito; Wink, David A.; Tantillo, Dean J.; Hobbs, Adrian J.; Nagy, Peter; Xian, Ming; Lin, Joseph; Fukuto, Jon M.


    Hydrogen sulfide (H2S) is an endogenously generated and putative signaling/effector molecule. In spite of its numerous reported functions, the chemistry by which it elicits its functions is not understood. Moreover, recent studies allude to the existence of other sulfur species besides H2S that may play critical physiological roles. Herein, the basic chemical biology of H2S as well as other related or derived species is discussed and reviewed. A particular focus of this review are the per- and poly-sulfides which are likely in equilibrium with free H2S and which may be important biological effectors themselves. PMID:25229186

  19. Redox chemistry and chemical biology of H2S, hydropersulfides, and derived species: implications of their possible biological activity and utility. (United States)

    Ono, Katsuhiko; Akaike, Takaaki; Sawa, Tomohiro; Kumagai, Yoshito; Wink, David A; Tantillo, Dean J; Hobbs, Adrian J; Nagy, Peter; Xian, Ming; Lin, Joseph; Fukuto, Jon M


    Hydrogen sulfide (H2S) is an endogenously generated and putative signaling/effector molecule. Despite its numerous reported functions, the chemistry by which it elicits its functions is not understood. Moreover, recent studies allude to the existence of other sulfur species besides H2S that may play critical physiological roles. Herein, the basic chemical biology of H2S as well as other related or derived species is discussed and reviewed. This review particularly focuses on the per- and polysulfides which are likely in equilibrium with free H2S and which may be important biological effectors themselves. Copyright © 2014 Elsevier Inc. All rights reserved.

  20. Theoretical chemistry in Belgium a topical collection from theoretical chemistry accounts

    CERN Document Server

    Champagne, Benoît; De Proft, Frank; Leyssens, Tom


    Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

  1. Annual Report of Institute of Nuclear Chemistry and Technology 1997

    Energy Technology Data Exchange (ETDEWEB)



    The report is the collection of short communications being the review of the scientific activity of Institute of Nuclear Chemistry and Technology - Warsaw in 1997. The papers are gathered in several branches as follows: radiation chemistry and physics; radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general; radiobiology; nuclear technologies and methods. The annual report of INCT-1997 contains also the general information about INCT as well as the full list of scientific papers being published by the staff in 1997

  2. Making a Natural Product Chemistry Course Meaningful with a Mini Project Laboratory (United States)

    Hakim, Aliefman; Liliasari; Kadarohman, Asep; Syah, Yana Maolana


    This paper discusses laboratory activities that can improve the meaningfulness of natural product chemistry course. These laboratory activities can be useful for students from many different disciplines including chemistry, pharmacy, and medicine. Students at the third-year undergraduate level of chemistry education undertake the project to…

  3. Photoredox Catalysis in Organic Chemistry (United States)


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

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

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


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

  5. the extent to which the Chemistry textbook of grade 11 is appropriate

    African Journals Online (AJOL)


    The Bloom's cognitive domain includes those objectives that emphasize intellectual ... chemistry syllabus developers did not give attention to Bloom's taxonomy of educational objectives. The following .... RECOMMENDATIONS. During Chemistry textbook preparation or/ and revision, active learning methods need to.

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

    Energy Technology Data Exchange (ETDEWEB)


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

  7. Chemistry beyond positivism. (United States)

    Brandt, Werner W


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

  8. Reengineering Antibiotics to Combat Bacterial Resistance: Click Chemistry [1,2,3]-Triazole Vancomycin Dimers with Potent Activity against MRSA and VRE. (United States)

    Silverman, Steven M; Moses, John E; Sharpless, K Barry


    Vancomycin has long been considered a drug of last resort. Its efficiency in treating multiple drug-resistant bacterial infections, particularly methicillin-resistant Staphylococcus aureus (MRSA), has had a profound effect on the treatment of life-threatening infections. However, the emergence of resistance to vancomycin is a cause for significant worldwide concern, prompting the urgent development of new effective treatments for antibiotic resistant bacterial infections. Harnessing the benefits of multivalency and cooperativity against vancomycin-resistant strains, we report a Click Chemistry approach towards reengineered vancomycin derivatives and the synthesis of a number of dimers with increased potency against MRSA and vancomycin resistant Enterococci (VRE; VanB). These semi-synthetic dimeric ligands were linked together with great efficiency using the powerful CuAAC reaction, demonstrating high levels of selectivity and purity. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

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


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

  10. Reaction chemistry of cerium

    Energy Technology Data Exchange (ETDEWEB)



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

  11. Air Composition and Chemistry (United States)

    Brimblecombe, Peter


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

  12. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G


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

  13. Spins in chemistry

    CERN Document Server

    McWeeny, Roy


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

  14. Solvent effects in chemistry

    CERN Document Server

    Buncel, Erwin


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

  15. Chemistry WebBook (United States)

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

  16. Dynamic Combinatorial Chemistry

    DEFF Research Database (Denmark)

    Lisbjerg, Micke

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

  17. Chemistry of Transactinides (United States)

    Kratz, J. V.

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

  18. The chemistry of silicon

    CERN Document Server

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


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

  19. Atmospheric pseudohalogen chemistry


    Lary, D. J.


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

  20. Progress in physical chemistry

    CERN Document Server

    Hempelmann, Rolf


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

  1. Chemistry in microelectronics

    CERN Document Server

    Le Tiec, Yannick


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

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

    West, Donna M.; Sterling, Donna R.


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

  3. Microscale Experiments in Chemistry - The Need of the New ...

    Indian Academy of Sciences (India)

    Newer Ways of Teaching Laboratory Courses with New Apparatus. Shriniwas L Kelkar and Dilip D Dhavale. Shriniwas L Kelkar is a. Reader in Organic. Chemistry at University of Pune. After an active research career and publishing work on heterocyclic chemistry, he is now devoting his entire time and attention.

  4. Focus: Bridging the Chemistry-Statistics Gap: Chemometrics Research Conference. (United States)

    Analytical Chemistry, 1985


    Presents highlights of a conference that provided an open forum for experts in statistics and in chemistry to exchange views on how research in statistical modeling and analysis can affect research in chemistry. A list of activities to reach new "customers" (including teaching chemometrics in high school) is included. (JN)

  5. Conflicts in Chemistry: The Case of Plastics, a Role-Playing Game for High School Chemistry Students (United States)

    Cook, Deborah H.


    Conflicts in Chemistry: The Case of Plastics, an innovative role-playing activity for high school students, was developed by the Chemical Heritage Foundation to promote increased public understanding of chemistry. The pilot program included three high school teachers and their students at three different schools and documented implementation and…

  6. Chemistry in China - a bibliometric view

    NARCIS (Netherlands)

    Zhou, P.; Leydesdorff, L.


    Based on bibliometric analysis, this paper explores China’s publication activity in chemistry. China develops fast in chemical research and has taken a leading position in publishing journal papers. International collaboration plays a role in the Chinese chemical community, but this role varies

  7. Green polymer chemistry: biocatalysis and biomaterials (United States)

    This overview briefly surveys the practice of green chemistry in polymer science. Eight related themes can be discerned from the current research activities: 1) biocatalysis, 2) bio-based building blocks and agricultural products, 3) degradable polymers, 4) recycling of polymer products and catalys...

  8. Effect of oral exposure to artificially weathered Deepwater Horizon crude oil on blood chemistries, hepatic antioxidant enzyme activities, organ weights and histopathology in western sandpipers (Calidris mauri). (United States)

    Bursian, Steven J; Dean, Karen M; Harr, Kendal E; Kennedy, Lisa; Link, Jane E; Maggini, Ivan; Pritsos, Chris; Pritsos, Karen L; Schmidt, R E; Guglielmo, Christopher G


    Shorebirds were among birds exposed to Mississippi Canyon 252 (MC252) crude oil during the 2010 Deep Water Horizon (DWH) oil spill in the Gulf of Mexico. The western sandpiper (Calidris mauri) was chosen as one of four species for initial oral dosing studies conducted under Phase 2 of the avian toxicity studies for the DWH Natural Resource Damage Assessment (NRDA). Thirty western sandpipers were assigned to one of three treatment groups, 10 birds per group. The control group was sham gavaged and the treatment groups were gavaged with 1 or 5mL oil kg bw-1 daily for 20 days. Periodic blood samples for hemoglobin measurements were collected during the trial. A final blood sample used to determine hemoglobin concentration in addition to complete blood counts, plasma clinical chemistries, haptoglobin concentration and plasma electrophoresis was collected when birds were euthanized and necropsied on day 21. Tissues were removed, weighed and processed for subsequent histopathological evaluation. There were numerical decreases in hemoglobin concentrations in oil-dosed birds over the 21-day trial, but values were not significantly different compared to controls on day 21. There were no significant differences between controls and oiled birds in complete blood counts, plasma chemistries, haptoglobin concentration, and plasma electrophoresis endpoints. Of the hepatic oxidative stress endpoints assessed, the total antioxidant capacity assessment (Trolox equivalents) for the control group was lower compared to the 1mL oil kg bw-1 group. Absolute liver weights in the 5mL oil kg bw-1 group were significantly greater compared to controls. While not conclusive, the numerical decrease in hemoglobin concentration and significant increase in absolute liver weight are consistent with exposure to oil. Histological changes in the adrenal gland could be considered a non-specific indicator of stress resulting from exposure to oil. It is possible that the quantity of oil absorbed was not

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

    Stieff, Mike; Wilensky, Uri


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

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

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


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

  11. Elements of Chemistry

    Indian Academy of Sciences (India)

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

  12. Chemistry and Heritage (United States)

    Vittoria Barbarulo, Maria


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

  13. Concept of Green Chemistry

    Indian Academy of Sciences (India)


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

  14. Chemistry at the Nanoscale

    Indian Academy of Sciences (India)

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

  15. Chemistry in the Troposphere. (United States)

    Chameides, William L.; Davis, Douglas D.


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

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

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

  17. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

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

  18. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

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

  19. The Chemistry of Griseofulvin

    DEFF Research Database (Denmark)

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


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

  20. Tunnelling Effects in Chemistry

    Indian Academy of Sciences (India)

    IAS Admin

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

  1. Analytical Chemistry Laboratory (United States)

    Anderson, Mark


    The Analytical Chemistry and Material Development Group maintains a capability in chemical analysis, materials R&D failure analysis and contamination control. The uniquely qualified staff and facility support the needs of flight projects, science instrument development and various technical tasks, as well as Cal Tech.

  2. Forensic Chemistry Training

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK


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

  3. Chemistry: The Middle Kingdom

    Indian Academy of Sciences (India)

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

  4. Symmetry in chemistry

    CERN Document Server

    Jaffé, Hans H


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

  5. Array processors in chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Ostlund, N.S.


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

  6. Teaching Chemistry. through Riddles

    Indian Academy of Sciences (India)

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

  7. Arrows in Chemistry

    Indian Academy of Sciences (India)

    IAS Admin

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

  8. Tunnelling Effects in Chemistry

    Indian Academy of Sciences (India)

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

  9. Nobel Prize in Chemistry

    Indian Academy of Sciences (India)

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

  10. Arrows in Chemistry

    Indian Academy of Sciences (India)

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

  11. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

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

  12. Chemistry: The Middle Kingdom

    Indian Academy of Sciences (India)


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

  13. Supramolecular analytical chemistry. (United States)

    Anslyn, Eric V


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

  14. Colour chemistry in water


    Cardona, Maria


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

  15. Liquefaction chemistry and kinetics: Hydrogen utilization studies

    Energy Technology Data Exchange (ETDEWEB)

    Rothenberger, K.S.; Warzinski, R.P.; Cugini, A.V. [Pittsburgh Energy Technology Center, PA (United States)] [and others


    The objectives of this project are to investigate the chemistry and kinetics that occur in the initial stages of coal liquefaction and to determine the effects of hydrogen pressure, catalyst activity, and solvent type on the quantity and quality of the products produced. The project comprises three tasks: (1) preconversion chemistry and kinetics, (2) hydrogen utilization studies, and (3) assessment of kinetic models for liquefaction. The hydrogen utilization studies work will be the main topic of this report. However, the other tasks are briefly described.

  16. Facile design of biomaterials by 'click' chemistry

    DEFF Research Database (Denmark)

    Hvilsted, Søren


    chemistry is elaborated. The present state of creating functional and biologically active surfaces by click chemistry is presented. Finally, conducting surfaces based on an azide‐functionalized polymer with prospective biological sensor potential are introduced. Copyright © 2012 Society of Chemical Industry......The advent of the so‐called ‘click chemistry’ a decade ago has significantly improved the chemical toolbox for producing novel biomaterials. This review focuses primarily on the application of Cu(I)‐catalysed azide–alkyne 1,3‐cycloadditon in the preparation of numerous, diverse biomaterials...

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

    African Journals Online (AJOL)

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

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

    Stucki, Roger


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

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

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


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

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

    Basiuk, Elena V; Basiuk, Vladimir A


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

  1. Quantum Nanobiology and Biophysical Chemistry

    DEFF Research Database (Denmark)


    An introduction was provided in the first issue by way of an Editorial to this special two issue volume of Current Physical Chemistry – “Quantum Nanobiology and Biophysical Chemistry” [1]. The Guest Editors would like to thank all the authors and referees who have contributed to this second issue....... Boulos et al. look at gold nanorods in a biological setting. Kneipp and Kneipp look at the impact of silver nanoparticle interactions with biomolecules using Raman optical activity. Johannessen and Blanch provide a review of recent developments in Raman optical activity calculations of biomolecules....... demonstrate extremely low detection performance of acyl-homoserine lactone in a biologically relevant system using surface enhanced Raman spectroscopy. Sugihara and Bondar evaluate the influence of methyl-groups and the protein environment on retinal geometries in rhodopsin and bacteriorhodopsin, two...

  2. Engineering Two-dimensional Materials Surface Chemistry. (United States)

    Shih, Chih-Jen


    This account reviews our recent research activities and achievements in the field of two-dimensional (2D) materials surface chemistry. 2D materials are atomically thin, so that carriers are less-restricted to move in the in-plane direction, whereas the out-of-plain motion is quantum-confined. Semiconductor quantum wells and graphene are two well-known examples. Applications of 2D materials in optoelectronics, surface modification, and complex materials must overcome engineering challenges associated with understanding and engineering surface chemistry of 2D materials, which essentially bridge multiscale physical phenomena. In my research group, we understand and engineer broad aspects of chemistry and physics at nanomaterials surfaces for advancing nanomaterials-based technologies. The three main topics covered in this account are as follows: i) colloidal synthesis of stacking-controlled 2D materials, ii) wetting properties of 2D materials, and iii) engineering electronic transport at 2D materials-semiconductor interfaces.

  3. Chalcone: A Privileged Structure in Medicinal Chemistry. (United States)

    Zhuang, Chunlin; Zhang, Wen; Sheng, Chunquan; Zhang, Wannian; Xing, Chengguo; Miao, Zhenyuan


    Privileged structures have been widely used as an effective template in medicinal chemistry for drug discovery. Chalcone is a common simple scaffold found in many naturally occurring compounds. Many chalcone derivatives have also been prepared due to their convenient synthesis. These natural products and synthetic compounds have shown numerous interesting biological activities with clinical potentials against various diseases. This review aims to highlight the recent evidence of chalcone as a privileged scaffold in medicinal chemistry. Multiple aspects of chalcone will be summarized herein, including the isolation of novel chalcone derivatives, the development of new synthetic methodologies, the evaluation of their biological properties, and the exploration of the mechanisms of action as well as target identification. This review is expected to be a comprehensive, authoritative, and critical review of the chalcone template to the chemistry community.

  4. Aqueous Solution Chemistry of Plutonium

    Energy Technology Data Exchange (ETDEWEB)

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


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

  5. Six Pillars of Organic Chemistry (United States)

    Mullins, Joseph J.


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


    African Journals Online (AJOL)


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

  7. School Chemistry: An Historical and Philosophical Approach (United States)

    Izquierdo-Aymerich, Mercè


    Since at least the eighteenth century scientific knowledge (then natural philosophy) was produced in groups of experts and specialists and was transmitted in schools, where, future experts and specialists were trained. The design of teaching has always been a complex process particularly in recent years when educational aims (for example, teaching scientific competence to everyone, not just to experts and specialists) present significant challenges. These challenges are much more than a simple reorganisation of the scientific knowledge pre-determined by the existing teaching tradition for different educational level. In the context of chemical education, the new teaching approaches should bring about not only the transmission of chemical knowledge but also a genuine chemical activity so as to ensure that students can acquire chemical thinking. Chemistry teaching should be revised according to contemporary demands of schooling. In order to move forward towards new teaching proposals, we must identify the genuine questions that generate `chemical criteria' and we should focus on them for teaching. We think that a good strategy is to look for those criteria in the philosophy and history of chemistry, from the perspective of didactics of science. This paper will examine the following questions: (1) How can school science be designed as a world-modelling activity by drawing on the philosophy of science. (2) How can `stories' about the emergence of chemical entities be identified by looking at the history of chemistry? (3) How can modelling strategies be structured in school chemistry activities?

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

    Directory of Open Access Journals (Sweden)

    Taghi Rajabi


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

  9. Artificial neural networks from MATLAB in medicinal chemistry. Bayesian-regularized genetic neural networks (BRGNN): application to the prediction of the antagonistic activity against human platelet thrombin receptor (PAR-1). (United States)

    Caballero, Julio; Fernández, Michael


    Artificial neural networks (ANNs) have been widely used for medicinal chemistry modeling. In the last two decades, too many reports used MATLAB environment as an adequate platform for programming ANNs. Some of these reports comprise a variety of applications intended to quantitatively or qualitatively describe structure-activity relationships. A powerful tool is obtained when there are combined Bayesian-regularized neural networks (BRANNs) and genetic algorithm (GA): Bayesian-regularized genetic neural networks (BRGNNs). BRGNNs can model complicated relationships between explanatory variables and dependent variables. Thus, this methodology is regarded as useful tool for QSAR analysis. In order to demonstrate the use of BRGNNs, we developed a reliable method for predicting the antagonistic activity of 5-amino-3-arylisoxazole derivatives against Human Platelet Thrombin Receptor (PAR-1), using classical 3D-QSAR methodologies: Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA). In addition, 3D vectors generated from the molecular structures were correlated with antagonistic activities by multivariate linear regression (MLR) and Bayesian-regularized neural networks (BRGNNs). All models were trained with 34 compounds, after which they were evaluated for predictive ability with additional 6 compounds. CoMFA and CoMSIA were unable to describe this structure-activity relationship, while BRGNN methodology brings the best results according to validation statistics.

  10. The Redox Chemistry of Rainwater (United States)

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


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

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

    Sjöström, Jesper


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

  12. Chemistry of naphthalene diimides. (United States)

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


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

  13. Organic Chemistry in Space (United States)

    Charnley, Steven


    Astronomical observations, theoretical modeling, laboratory simulation and analysis of extraterrestrial material have enhanced our knowledge of the inventory of organic matter in the interstellar medium (ISM) and on small bodies such as comets and asteroids (Ehrenfreund & Charnley 2000). Comets, asteroids and their fragments, meteorites and interplanetary dust particles (IDPs), contributed significant amounts of extraterrestrial organic matter to the young Earth. This material degraded and reacted in a terrestrial prebiotic chemistry to form organic structures that may have served as building blocks for life on the early Earth. In this talk I will summarize our current understanding of the organic composition and chemistry of interstellar clouds. Molecules of astrobiological relevance include the building blocks of our genetic material: nucleic acids, composed of subunits such as N-heterocycles (purines and pyrimidines), sugars and amino acids. Signatures indicative of inheritance of pristine and modified interstellar material in comets and meteorites will also be discussed.

  14. Chemistry space–time

    Directory of Open Access Journals (Sweden)

    David A. Winkler


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

  15. Bubble and foam chemistry

    CERN Document Server

    Pugh, Robert J


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

  16. Carbohydrates in Supramolecular Chemistry. (United States)

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


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

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

    Valcárcel, Miguel


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

  18. Quantum mechanics in chemistry

    CERN Document Server

    Schatz, George C


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

  19. Green chemistry: development trajectory (United States)

    Moiseev, I. I.


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

  20. Genetic algorithm in chemistry.


    da Costa, PA; Poppi, RJ


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

  1. Analytical Chemistry in Russia. (United States)

    Zolotov, Yuri


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

  2. Contrail: A Module from Physical Chemistry On-Line Project (United States)

    Chen, Franklin; Zielinski, Theresa Julia; Long, George


    The impact of contrails on Earth's climate is researched to understand the active area. It is suggested that the process of contrail formation involves combustion, cooling and ice formation, which are good comprehensive learning exercise for physical chemistry students.

  3. Connecting Acids and Bases with Encapsulation... and Chemistry with Nanotechnology (United States)

    Criswell, Brett


    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. Presidential Green Chemistry Challenge: 2002 Greener Synthetic Pathways Award (United States)

    Presidential Green Chemistry Challenge 2002 award winner, Pfizer, improved its synthesis of sertraline, the active ingredient in its drug, Zoloft, to double the yield and reduce the use of raw materials, energy, and water.

  5. Presidential Green Chemistry Challenge: 2012 Academic Award (Waymouth and Hedrick) (United States)

    Presidential Green Chemistry Challenge 2012 award winners, Professor Robert M. Waymouth and Dr. James L. Hedrick, developed a broad class of highly active, environmentally benign, metal-free catalysts for synthesizing plastics.

  6. Presidential Green Chemistry Challenge: 2000 Designing Greener Chemicals Award (United States)

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

  7. Presidential Green Chemistry Challenge: 2004 Greener Synthetic Pathways Award (United States)

    Presidential Green Chemistry Challenge 2004 award winner, Bristol-Myers Squibb, manufactures paclitaxel, the active ingredient in the anticancer drug, Taxol, using plant cell fermentation and extraction to replace synthesis.

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

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

  9. Chemistry of superheavy elements

    Energy Technology Data Exchange (ETDEWEB)

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


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

  10. Understanding the Effects of Surface Chemistry and Microstructure on the Activity and Stability of Pt Electrocatalysts on Non-Carbon Supports

    Energy Technology Data Exchange (ETDEWEB)

    Mustain, William [Univ. of Conneticut, Storrs, CT (United States)


    The objective of this project is to elucidate the effects of the chemical composition and microstructure of the electrocatalyst support on the activity, stability and utilization of supported Pt clusters.

  11. General chemistry courses that can affect achievement: An action research study in developing a plan to improve undergraduate chemistry courses (United States)

    Shweikeh, Eman

    Over the past 50 years, considerable research has been dedicated to chemistry education. In evaluating principal chemistry courses in higher education, educators have noted the learning process for first-year general chemistry courses may be challenging. The current study investigated perceptions of faculty, students and administrators on chemistry education at three institutions in Southern California. Via action research, the study sought to develop a plan to improve student engagement in general chemistry courses. A mixed method was utilized to analyze different perceptions on key factors determining the level of commitment and engagement in general chemistry education. The approach to chemistry learning from both a faculty and student perspective was examined including good practices, experiences and extent of active participation. The research study considered well-known measures of effective education with an emphasis on two key components: educational practices and student behavior. Institutional culture was inclusively assessed where cognitive expectations of chemistry teaching and learning were communicated. First, the extent in which faculty members are utilizing the "Seven Principles for Good Practice in Undergraduate Education" in their instruction was explored. Second, student attitudes and approaches toward chemistry learning were examined. The focus was on investigating student understanding of the learning process and the structure of chemistry knowledge. The seven categories used to measure students' expectations for learning chemistry were: effort, concepts, math link, reality link, outcome, laboratory, and visualization. This analysis represents the views of 16 faculty and 140 students. The results validated the assertion that students need some competencies and skills to tackle the challenges of the chemistry learning process to deeply engage in learning. A mismatch exists between the expectations of students and those of the faculty

  12. Recent progress in ellagitannin chemistry. (United States)

    Feldman, Ken S


    Continuing studies on the total synthesis of ellagitannin plant metabolites have led to the preparation of the dimeric antitumor compound, coriariin A, as well as designed structural analogues. In related investigations, the synthesis of a 2,4-hexahydroxydiphenoyl (HHDP)-bearing glucopyranose structure has been achieved. This species is related to the geraniin family of ellagitannins, and its subsequent chemistry is suggestive of a mechanistic rationale for the observation that the HHDP units within (3,6-bridged)2,4-HHDP-containing ellagitannins invariably are oxidized further in vivo. Companion studies designed to assay the immunomodulatory properties of coriariin A and analogues have led to the thesis that tumor necrosis factor alpha (TNFalpha) serves as a mediator of this ellagitannin's tumor remissive activity. Furthermore, certain tannins and tannin analogues appear to act in an immunosuppressive capacity with peripheral blood monocytes that were exposed to the bacterially derived septic shock inducing agent lipid A.

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

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


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

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


    Marek Tobiszewski; Mariusz Marć; Agnieszka Gałuszka; Jacek Namieśnik


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

  15. Allicin: chemistry and biological properties. (United States)

    Borlinghaus, Jan; Albrecht, Frank; Gruhlke, Martin C H; Nwachukwu, Ifeanyi D; Slusarenko, Alan J


    Allicin (diallylthiosulfinate) is a defence molecule from garlic (Allium sativum L.) with a broad range of biological activities. Allicin is produced upon tissue damage from the non-proteinogenic amino acid alliin (S-allylcysteine sulfoxide) in a reaction that is catalyzed by the enzyme alliinase. Current understanding of the allicin biosynthetic pathway will be presented in this review. Being a thiosulfinate, allicin is a reactive sulfur species (RSS) and undergoes a redox-reaction with thiol groups in glutathione and proteins that is thought to be essential for its biological activity. Allicin is physiologically active in microbial, plant and mammalian cells. In a dose-dependent manner allicin can inhibit the proliferation of both bacteria and fungi or kill cells outright, including antibiotic-resistant strains like methicillin-resistant Staphylococcus aureus (MRSA). Furthermore, in mammalian cell lines, including cancer cells, allicin induces cell-death and inhibits cell proliferation. In plants allicin inhibits seed germination and attenuates root-development. The majority of allicin's effects are believed to be mediated via redox-dependent mechanisms. In sub-lethal concentrations, allicin has a variety of health-promoting properties, for example cholesterol- and blood pressure-lowering effects that are advantageous for the cardio-vascular system. Clearly, allicin has wide-ranging and interesting applications in medicine and (green) agriculture, hence the detailed discussion of its enormous potential in this review. Taken together, allicin is a fascinating biologically active compound whose properties are a direct consequence of the molecule's chemistry.

  16. Conserved structural chemistry for incision activity in structurally non-homologous apurinic/apyrimidinic endonuclease APE1 and endonuclease IV DNA repair enzymes.

    Energy Technology Data Exchange (ETDEWEB)

    Tsutakawa, Susan E.; Shin, David S.; Mol, Clifford D.; Izum, Tadahide; Arvai, Andrew S.; Mantha, Anil K.; Szczesny, Bartosz; Ivanov, Ivaylo N.; Hosfield, David J.; Maiti, Buddhadev; Pique, Mike E.; Frankel, Kenneth A.; Hitomi, Kenichi; Cunningham, Richard P.; Mitra, Sankar; Tainer, John A.


    Non-coding apurinic/apyrimidinic (AP) sites in DNA form spontaneously and as DNA base excision repair intermediates are the most common toxic and mutagenic in vivo DNA lesion. For repair, AP sites must be processed by 5' AP endonucleases in initial stages of base repair. Human APE1 and bacterial Nfo represent the two conserved 5' AP endonuclease families in the biosphere; they both recognize AP sites and incise the phosphodiester backbone 5' to the lesion, yet they lack similar structures and metal ion requirements. Here, we determined and analyzed crystal structures of a 2.4 ? resolution APE1-DNA product complex with Mg(2+) and a 0.92 Nfo with three metal ions. Structural and biochemical comparisons of these two evolutionarily distinct enzymes characterize key APE1 catalytic residues that are potentially functionally similar to Nfo active site components, as further tested and supported by computational analyses. We observe a magnesium-water cluster in the APE1 active site, with only Glu-96 forming the direct protein coordination to the Mg(2+). Despite differences in structure and metal requirements of APE1 and Nfo, comparison of their active site structures surprisingly reveals strong geometric conservation of the catalytic reaction, with APE1 catalytic side chains positioned analogously to Nfo metal positions, suggesting surprising functional equivalence between Nfo metal ions and APE1 residues. The finding that APE1 residues are positioned to substitute for Nfo metal ions is supported by the impact of mutations on activity. Collectively, the results illuminate the activities of residues, metal ions, and active site features for abasic site endonucleases.

  17. Site-SpecificCu Labeling of the Serine Protease, Active Site Inhibited Factor Seven Azide (FVIIai-N), Using Copper Free Click Chemistry

    DEFF Research Database (Denmark)

    Jeppesen, Troels E; Kristensen, Lotte K; Nielsen, Carsten H


    A method for site-specific radiolabeling of the serine protease active site inhibited factor seven (FVIIai) with64Cu has been applied using a biorthogonal click reaction. FVIIai binds to tissue factor (TF), a trans-membrane protein involved in hemostasis, angiogenesis, proliferation, cell migration...

  18. Effect of E-beam treatment on the chemistry and on the antioxidant activity of lycopene from dry tomato peel and tomato powder. (United States)

    Gámez, M Carmen; Calvo, Marta M; Selgas, M Dolores; García, M Luisa; Erler, Katrin; Böhm, Volker; Catalano, Assunta; Simone, Rossella; Palozza, Paola


    Tomato powder (TP) and dry tomato peel (DTP) have been previously used in our laboratory as a source of lycopene to manufacture meat products ready-to-eat (RTE) submitted to E-beam irradiation with good technological and sensory results. Present work describes the studies performed in order to investigate the effect of radiation on chemical changes and antioxidant properties of lycopene. DTP and TP were irradiated (4 kGy). Changes on lycopene were analyzed by HPLC; inhibition of reactive oxygen species (ROS), possible modulation of mitogen-activated protein kinases (MAPK) cascade, nuclear factor κ-light-chain-enhancer of activated B cells (NP-κB) activation and expression of proteins involved in oxidation stress were analyzed in RAT-1 fibroblasts cell culture. Radiation reduced the content of all-E-lycopene and increased (Z)-lycopene, lycopene isomerization, and degradation being higher in DTP than in TP. E-Beam treatment increased the antioxidant ability of both DTP and TP in inhibiting spontaneous and H2O2-induced oxidative stress in cultured fibroblasts. Antioxidant activity was higher in DTP than in TP samples.

  19. Flipped Classroom Modules for Large Enrollment General Chemistry Courses: A Low Barrier Approach to Increase Active Learning and Improve Student Grades (United States)

    Eichler, Jack F.; Peeples, Junelyn


    In the face of mounting evidence revealing active learning approaches result in improved student learning outcomes compared to traditional passive lecturing, there is a growing need to change the way instructors teach large introductory science courses. However, a large proportion of STEM faculty continues to use traditional instructor-centered…

  20. Conjugates of phosphorylated zalcitabine and lamivudine with SiO2 nanoparticles: Synthesis by CuAAC click chemistry and preliminary assessment of anti-HIV and antiproliferative activity. (United States)

    Vasilyeva, Svetlana V; Shtil, Alexander A; Petrova, Albina S; Balakhnin, Sergei M; Achigecheva, Polina Y; Stetsenko, Dmitry A; Silnikov, Vladimir N


    Conjugates of phosphorylated dideoxynucleoside antiviral drugs dideoxycytidine (zalcitabine) and lamivudine with SiO2 nanoparticles were obtained via the copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry between a nucleoside triphosphate containing an alkynyl group at the γ-phosphate or azidothymidine triphosphate and SiO2 nanoparticles containing alkyl azide or alkynyl groups, respectively. 4-(Prop-2-yn-1-yloxy)butylamino group has been attached to the γ-phosphate group of dideoxycytidine (zalcitabine) and lamivudine 5'-triphosphates via the phosphoramidate linkage. New compounds were shown to be potent killers of human colon carcinoma cells. Anti-HIV activity of the conjugates was demonstrated as well. The conjugates of phosphorylated lamivudine and dideoxycytidine (zalcitabine) showed higher potency than the parent nucleosides. The conjugate of phosphorylated azidothymidine was less active against HIV-1 than the parent nucleoside probably because of the replacement of its 3'-azido group by 1,2,3-triazole ring. These results show an opportunity for using SiO2 nanoparticles as a transport for delivering phosphorylated nucleosides to cells in order to increase their efficiency as antiviral and anticancer drugs. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Mars aqueous chemistry experiment (United States)

    Clark, Benton C.; Mason, Larry W.


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

  2. Physical chemistry II essentials

    CERN Document Server

    REA, The Editors of


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

  3. Chemistry in aircraft plumes

    Energy Technology Data Exchange (ETDEWEB)

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


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

  4. Chemistry and Science Fiction (United States)

    Stocker, Jack H.


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

  5. Chemistry in space

    CERN Document Server

    Rehder, Dieter


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

  6. Introduction to Coordination Chemistry

    CERN Document Server

    Lawrance, Geoffrey Alan


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

  7. Principles of quantum chemistry

    CERN Document Server

    George, David V


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

  8. Radiochemistry and nuclear chemistry

    CERN Document Server

    Choppin, Gregory; RYDBERG, JAN; Ekberg, Christian


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

  9. Quantum chemistry an introduction

    CERN Document Server

    Kauzmann, Walter


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

  10. Nuclear Chemistry and Services

    Energy Technology Data Exchange (ETDEWEB)

    Vandevelde, L


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

  11. Advances in Phosphasilene Chemistry. (United States)

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


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

  12. Analytical chemistry in space

    CERN Document Server

    Wainerdi, Richard E


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

  13. Medical Mycology and the Chemistry Classroom: Germinating Student Interest in Organic Chemistry (United States)

    Bliss, Joseph M.; Reid, Christopher W.


    Efforts to provide active research context to introductory courses in basic sciences are likely to better engage learners and provide a framework for relevant concepts. A simple teaching and learning experiment was conducted to use concepts in organic chemistry to solve problems in the life sciences. Bryant University is a liberal arts university…


    Energy Technology Data Exchange (ETDEWEB)

    Authors, Various


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

  15. The conversion of nickel-bound CO into an acetyl thioester: organometallic chemistry relevant to the acetyl coenzyme A synthase active site. (United States)

    Horn, Bettina; Limberg, Christian; Herwig, Christian; Mebs, Stefan


    When three become one: Within one nickel-based model system, the three reactants CO, MeI, and PhSH have been assembled to yield an acetyl thioester. The reactivity is of relevance for the functioning of the acetyl coenzyme A synthase active site and provides insights into possible binding sequences. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

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


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

  17. Nuclear chemistry research of high-energy nuclear reactions at Carnegie-Mellon University, 1961--1977. Summary report. [Summaries of research activities at Carnegie-Mellon University

    Energy Technology Data Exchange (ETDEWEB)

    Caretto, A.A. Jr.


    The activities and the results of research in the study of high energy nuclear reactions carried out at Carnegie Institute of Technology from 1957 to 1967 and at Carnegie-Mellon University from 1967 to 1977 are summarized. A complete list of all publications, doctoral dissertations, and reports resulting from the research of this project is also included. A major part of the report is a review of the research activities and results. The objective of the research of this project was the study of reactions initiated by projectiles of energy above about 100 MeV. The main effort was the investigation of simple nuclear reactions with the objective to deduce reaction mechanisms. These reactions were also used as probes to determine the nuclear structure of the target. In addition, a number of studies of spallation reactions were undertaken which included the determination of excitation functions and recoil properties. Recent research activities which have involved the study of pion induced reactions as well as reactions initiated by heavy ions is also discussed.

  18. Bioorthogonal chemistry: strategies and recent development (United States)

    Ramil, Carlo P.; Lin, Qing


    The use of covalent chemistry to track biomolecules in their native environment—a focus of bioorthogonal chemistry—has received considerable interests recently among chemical biologists and organic chemists alike. To facilitate wider adoption of bioorthogonal chemistry in biomedical research, a central effort in the last few years has been focused on the optimization of a few known bioorthogonal reactions, particularly with respective to reaction kinetics improvement, novel genetic encoding systems, and fluorogenic reactions for bioimaging. During these optimizations, three strategies have emerged, including the use of ring strain for substrate activation in the cycloaddition reactions, the discovery of new ligands and privileged substrates for accelerated metal-catalysed reactions, and the design of substrates with pre-fluorophore structures for rapid “turn-on” fluorescence after selective bioorthogonal reactions. In addition, new bioorthogonal reactions based on either modified or completely unprecedented reactant pairs have been reported. Finally, increasing attention has been directed toward the development of mutually exclusive bioorthogonal reactions and their applications in multiple labeling of a biomolecule in cell culture. In this feature article, we wish to present the recent progress in bioorthogonal reactions through the selected examples that highlight the above-mentioned strategies. Considering increasing sophistication in bioorthogonal chemistry development, we strive to project several exciting opportunities where bioorthogonal chemistry can make a unique contribution to biology in near future. PMID:24145483

  19. The physical basis of chemistry

    CERN Document Server

    Warren, Warren S


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

  20. Podcasts in the Chemistry Teaching

    Directory of Open Access Journals (Sweden)

    Bruno Silva Leite


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

  1. Green Chemistry for Chemical Synthesis

    National Research Council Canada - National Science Library

    Chao-Jun Li; Barry M. Trost


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

  2. Information theory in analytical chemistry

    National Research Council Canada - National Science Library

    Eckschlager, Karel; Danzer, Klaus


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

  3. Solid state chemistry an introduction

    CERN Document Server

    Smart, Lesley E


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

  4. Delivering a Chemistry Course over the Internet (United States)

    Brooks, David W.; Liu, Daonian; Walter, L. James


    A tuition-based course in small scale chemistry activities for high school laboratories aimed at high school chemistry teachers was offered over the Internet during the spring semester, 1995. A CD-ROM with descriptions of activities and movies served as the text for the course. The content was divided into seven modules. While most of the students responded well to the course, only half completed the course for a grade. Communications during the course were maintained using email and a listserv. All of the electronic communications and interviews with the instructor and over half of the students served as the basis for a qualitative research study. The various positive and negative factors related to teaching and taking a course in this format are described.

  5. Organometallic Neptunium Chemistry. (United States)

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


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

  6. Minicomputer and computations in chemistry

    Energy Technology Data Exchange (ETDEWEB)


    The introduction of multiple-precision hardware and longer word lengths has given the minicomputer a much more general potential for chemistry applications. It was the purpose of this workshop to address this potential, particularly as it is related to computations. The workshop brought together persons with minicomputer experience and those who are considering how the minicomputer might enhance their research activities. The workshop sessions were arranged in sequence to address the following questions: (1) Is the general purpose minicomputer an appropriate tool to meet the computational requirements of a chemistry research laboratory. (2) What are the procedures for wisely designing a minicomputer configuration. (3) What special-purpose hardware is available to enhance the speed of a minicomputer. (4) How does one select the appropriate minicomputer and ensure that it can accomplish the tasks for which is was designed. (5) How can one network minicomputers for more efficient and flexible operation. (6) Can one do really large-scale computations on a minicomputer and what modifications are necessary to convert existing programs and algorithms. (7) How can the minicomputer be used to access the maxicomputers at the NRCC. (8) How are computers likely to evolve in the future. (9) What should be the role of the NRCC in relation to minicomputers. This report of the workshop consists mainly of edited transcripts of introductory remarks. These were augmented by relevant bibliographies as an alternative to transcription of the entire workshop. There was no attempt in the workshop to give final answers to the questions that were raised, since the answers are determined in large part by each particular minicomputer environment.

  7. Habitat management affects soil chemistry and allochthonous organic inputs mediating microbial structure and exo-enzyme activity in Wadden Sea salt-marsh soils (United States)

    Mueller, Peter; Granse, Dirk; Thi Do, Hai; Weingartner, Magdalena; Nolte, Stefanie; Hoth, Stefan; Jensen, Kai


    The Wadden Sea (WS) region is Europe's largest wetland and home to approximately 20% of its salt marsh area. Mainland salt marshes of the WS are anthropogenically influenced systems and have traditionally been used for livestock grazing in wide parts. After foundation of WS National Parks in the late 1980s and early 1990s, artificial drainage has been abandoned; however, livestock grazing is still common in many areas of the National Parks and is under ongoing discussion as a habitat-management practice. While studies so far focused on effects of livestock grazing on biodiversity, little is known about how biogeochemical processes, element cycling, and particularly carbon sequestration are affected. Here, we present data from a recent field study focusing on grazing effects on soil properties, microbial exo-enzyme activity, microbial abundance and structure. Exo-enzyme activity was studied conducting digestive enzyme assays for various enzymes involved in C- and N cycling. Microbial abundance and structure was assessed measuring specific gene abundance of fungi and bacteria using quantitative PCR. Soil compaction induced by grazing led to higher bulk density and decreases in soil redox (Δ >100 mV). Soil pH was significantly lower in grazed parts. Further, the proportion of allochthonous organic matter (marine input) was significantly smaller in grazed vs. ungrazed sites, likely caused by a higher sediment trapping capacity of the taller vegetation in the ungrazed sites. Grazing induced changes in bulk density, pH and redox resulted in reduced activity of enzymes involved in microbial C acquisition; however, there was no grazing effect on enzymes involved in N acquisition. While changes in pH, bulk density or redox did not affect microbial abundance and structure, the relative amount of marine organic matter significantly reduced the relative abundance of fungi (F:B ratio). We conclude that livestock grazing directly affects microbial exo-enzyme activity, thus

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

    Christensson, Camilla; Sjöström, Jesper


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

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

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


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

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

    Andersson, Kristina


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

  11. Institute of Nuclear Chemistry and Technology annual report 1995

    Energy Technology Data Exchange (ETDEWEB)



    The report is a collection of short communications being a review of scientific activity of the Institute of Nuclear Chemistry and Technology (INCT), Warsaw, in 1995. The papers are gathered in several branches as follows: radiation chemistry and physics (15); radiochemistry, stable isotopes, nuclear analytical methods, chemistry in general (23); radiobiology (7); nuclear technologies and methods (21); nucleonic control systems (5). The Annual Report of INCT - 1995 contains also a general information about the staff and organization of the Institute, the full list of scientific publications and patents, conferences organized by INCT, thesis and list of projects granted by Polish and international organizations.

  12. Site-Specific 64Cu Labeling of the Serine Protease, Active Site Inhibited Factor Seven Azide (FVIIai-N3), Using Copper Free Click Chemistry. (United States)

    Jeppesen, Troels E; Kristensen, Lotte K; Nielsen, Carsten H; Petersen, Lars C; Kristensen, Jesper B; Behrens, Carsten; Madsen, Jacob; Kjaer, Andreas


    A method for site-specific radiolabeling of the serine protease active site inhibited factor seven (FVIIai) with 64Cu has been applied using a biorthogonal click reaction. FVIIai binds to tissue factor (TF), a trans-membrane protein involved in hemostasis, angiogenesis, proliferation, cell migration, and survival of cancer cells. First a single azide moiety was introduced in the active site of this 50 kDa protease. Then a NOTA moiety was introduced via a strain promoted azide-alkyne reaction and the corresponding conjugate was labeled with 64Cu. Binding to TF and the stability was evaluated in vitro. TF targeting capability of the radiolabeled conjugate was tested in vivo by positron emission tomography (PET) imaging in pancreatic human xenograft cancer mouse models with various TF expressions. The conjugate showed good stability (>91% at 16 h), an immunoreactivity of 93.5%, and a mean tumor uptake of 2.1 ± 0.2%ID/g at 15 h post injection. In conclusion, FVIIai was radiolabeled with 64Cu in single well-defined position of the protein. This method can be utilized to prepare conjugates from serine proteases with the label at a specific position.

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


    Distler, Petr


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

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

    Directory of Open Access Journals (Sweden)

    Marek Tobiszewski


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

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

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


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

  16. From organic chemistry to fat and oil chemistry*

    Directory of Open Access Journals (Sweden)

    Deffense Etienne


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

  17. Introductory lecture: atmospheric chemistry in the Anthropocene. (United States)

    Finlayson-Pitts, Barbara J


    The term "Anthropocene" was coined by Professor Paul Crutzen in 2000 to describe an unprecedented era in which anthropogenic activities are impacting planet Earth on a global scale. Greatly increased emissions into the atmosphere, reflecting the advent of the Industrial Revolution, have caused significant changes in both the lower and upper atmosphere. Atmospheric reactions of the anthropogenic emissions and of those with biogenic compounds have significant impacts on human health, visibility, climate and weather. Two activities that have had particularly large impacts on the troposphere are fossil fuel combustion and agriculture, both associated with a burgeoning population. Emissions are also changing due to alterations in land use. This paper describes some of the tropospheric chemistry associated with the Anthropocene, with emphasis on areas having large uncertainties. These include heterogeneous chemistry such as those of oxides of nitrogen and the neonicotinoid pesticides, reactions at liquid interfaces, organic oxidations and particle formation, the role of sulfur compounds in the Anthropocene and biogenic-anthropogenic interactions. A clear and quantitative understanding of the connections between emissions, reactions, deposition and atmospheric composition is central to developing appropriate cost-effective strategies for minimizing the impacts of anthropogenic activities. The evolving nature of emissions in the Anthropocene places atmospheric chemistry at the fulcrum of determining human health and welfare in the future.

  18. Seamless integration of dose-response screening and flow chemistry: efficient generation of structure-activity relationship data of β-secretase (BACE1) inhibitors. (United States)

    Werner, Michael; Kuratli, Christoph; Martin, Rainer E; Hochstrasser, Remo; Wechsler, David; Enderle, Thilo; Alanine, Alexander I; Vogel, Horst


    Drug discovery is a multifaceted endeavor encompassing as its core element the generation of structure-activity relationship (SAR) data by repeated chemical synthesis and biological testing of tailored molecules. Herein, we report on the development of a flow-based biochemical assay and its seamless integration into a fully automated system comprising flow chemical synthesis, purification and in-line quantification of compound concentration. This novel synthesis-screening platform enables to obtain SAR data on b-secretase (BACE1) inhibitors at an unprecedented cycle time of only 1 h instead of several days. Full integration and automation of industrial processes have always led to productivity gains and cost reductions, and this work demonstrates how applying these concepts to SAR generation may lead to a more efficient drug discovery process. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Dynamic imine chemistry. (United States)

    Belowich, Matthew E; Stoddart, J Fraser


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

  20. Compressed Sensing for Chemistry (United States)

    Sanders, Jacob Nathan

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

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

    Uffelman, Erich S.


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

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

    Akkanat, Çigdem; Gökdere, Murat


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

  3. How fast is ultrafast chemistry


    Bagchi, Biman


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

  4. Modern Trends in Inorganic Chemistry

    Indian Academy of Sciences (India)


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

  5. Plasma chemistry and its applications (United States)

    Hozumi, K.


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

  6. Introducing Relativity into Quantum Chemistry (United States)

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


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

  7. Contextualising Nanotechnology in Chemistry Education (United States)

    O'Connor, Christine; Hayden, Hugh


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

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

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

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

  9. Rethinking Undergraduate Physical Chemistry Curricula (United States)

    Miller, Stephen R.


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

  10. Refresher Course in Experimental Chemistry

    Indian Academy of Sciences (India)


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

  11. Opportunities at the interface of chemistry and biology. (United States)

    Martin, A B; Schultz, P G


    The combination of the tools and principles of chemistry, together with the tools of modern molecular biology, allow us to create complex synthetic and natural molecules, and processes with novel biological, chemical and physical properties. This article illustrates the tremendous opportunity that lies at this interface of chemistry and biology by describing a number of examples, ranging from efforts to expand the genetic code of living organisms to the use of combinatorial methods to generate biologically active synthetic molecules.

  12. Recent advances in the chemistry and biology of pyridopyrimidines. (United States)

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


    The interest in pyridopyrimidine cores for pharmaceutical products makes this scaffold a highly useful building block for organic chemistry. These derivatives have found applications in various areas of medicine such as anticancer, CNS, fungicidal, antiviral, anti-inflammatory, antimicrobial, and antibacterial therapies. This review mainly focuses on the progress achieved since 2004 in the chemistry and biological activity of pyridopyrimidines. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  13. Organic chemistry on Titan (United States)

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


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

  14. Getting Hooked on Chemistry (United States)

    Mason, Diana S.


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

  15. Introduction to structural chemistry

    CERN Document Server

    Batsanov, Stepan S


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

  16. Beryllium chemistry and processing

    CERN Document Server

    Walsh, Kenneth A


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

  17. Lessons for Introductory Chemistry (United States)

    Martin, John S.; Blackburn, Edward V.


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

  18. Reaxys Medicinal Chemistry



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

  19. Silane Discharge Ion Chemistry. (United States)

    Chatham, Robert Hood, III

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

  20. Handbook of relativistic quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

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


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

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

    Welsh, Michael J.


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

  2. Chemistry Concepts and Vocabulary from Root Words

    Indian Academy of Sciences (India)

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

  3. Chemistry of fracture-filling raised ridges in Yellowknife Bay, Gale Crater: Window into past aqueous activity and habitability on Mars (United States)

    Léveillé, Richard J.; Bridges, John; Wiens, Roger C.; Mangold, Nicolas; Cousin, Agnes; Lanza, Nina; Forni, Olivier; Ollila, Ann; Grotzinger, John; Clegg, Samuel; Siebach, Kirsten; Berger, Gilles; Clark, Ben; Fabre, Cécile; Anderson, Ryan; Gasnault, Olivier; Blaney, Diana; Deflores, Lauren; Leshin, Laurie; Maurice, Sylvestre; Newsom, Horton


    The ChemCam instrument package on the Curiosity rover was used to characterize distinctive raised ridges in the Sheepbed mudstone, Yellowknife Bay formation, Gale Crater. The multilayered, fracture-filling ridges are more resistant to erosion than the Sheepbed mudstone rock in which they occur. The bulk average composition of the raised ridges is enriched in MgO by 1.2-1.7 times (average of 8.3-11.4 wt %; single-shot maximum of 17.0 wt %) over that of the mudstone. Al2O3 is anticorrelated with MgO, while Li is somewhat enriched where MgO is highest. Some ridges show a variation in composition with different layers on a submillimeter scale. In particular, the McGrath target shows similar high-MgO resistant outer layers and a low-MgO, less resistant inner layer. This is consistent with the interpretation that the raised ridges are isopachous fracture-filling cements with a stratigraphy that likely reveals changes in fluid composition or depositional conditions over time. Overall, the average composition of the raised ridges is close to that of a Mg- and Fe-rich smectite, or saponite, which may also be the main clay mineral constituent of the host mudstone. These analyses provide evidence of diagenesis and aqueous activity in the early postdepositional history of the Yellowknife Bay formation, consistent with a low salinity to brackish fluid at near-neutral or slightly alkaline pH. The fluids that circulated through the fractures likely interacted with the Sheepbed mudstone and (or) other stratigraphically adjacent rock units of basaltic composition and leached Mg from them preferentially.

  4. Metallomics for drug development: a further insight into intracellular activation chemistry of a ruthenium(III)-based anticancer drug gained using a multidimensional analytical approach. (United States)

    Matczuk, Magdalena; Prządka, Monika; Aleksenko, Svetlana S; Czarnocki, Zbigniew; Pawlak, Katarzyna; Timerbaev, Andrei R; Jarosz, Maciej


    The mechanism by which the most relevant ruthenium anticancer drugs are activated in tumors to commence their tumor-inhibiting action remains one of the challenging research tasks of present-day metallomics. This contribution aims to capture and identify eventually more reactive species of one of two bis-indazole tetrachloridoruthenate(III) compounds that are progressing in clinical trials. In view of the fact that the transport of ruthenium into cancer cells is governed by transferrin receptors, the susceptibility of the Ru drug adduct with holo-transferrin to exposure by glutathione and ascorbic acid (at their cancer cytosol concentrations) was studied by inductively coupled plasma mass spectrometry (ICP-MS), following isolation of the reaction products by ultrafiltration. Next, capillary electrophoresis coupled to ICP-MS was applied to monitor changes in the Ru speciation both under simulated cancer cytosol conditions and in real cytosol and to assign the charge state of novel metal species. The latter were identified by using tandem electrospray ionization MS in the respective ion mode. The formation of ruthenium(II) species was for the first time revealed, in which the central metal is coordinated by the reduced (GSH) or the oxidized (GSSG) form of glutathione, i.e. [Ru(II)HindCl4(GSH)](2-) and [Ru(II)HindCl4(GSSG)](2-), respectively (Hind = indazole). Ascorbic acid released the ruthenium functionality from the protein-bound form in a different way, the products of adduct cleavage containing aqua ligands. Distribution of low-molecular mass species of Ru in human cytosol was found to have very much in common with the ruthenium speciation assayed under simulated cytosol conditions.

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

    Andersson, Kristina


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

  6. Allicin: Chemistry and Biological Properties

    Directory of Open Access Journals (Sweden)

    Jan Borlinghaus


    Full Text Available Allicin (diallylthiosulfinate is a defence molecule from garlic (Allium sativum L. with a broad range of biological activities. Allicin is produced upon tissue damage from the non-proteinogenic amino acid alliin (S-allylcysteine sulfoxide in a reaction that is catalyzed by the enzyme alliinase. Current understanding of the allicin biosynthetic pathway will be presented in this review. Being a thiosulfinate, allicin is a reactive sulfur species (RSS and undergoes a redox-reaction with thiol groups in glutathione and proteins that is thought to be essential for its biological activity. Allicin is physiologically active in microbial, plant and mammalian cells. In a dose-dependent manner allicin can inhibit the proliferation of both bacteria and fungi or kill cells outright, including antibiotic-resistant strains like methicillin-resistant Staphylococcus aureus (MRSA. Furthermore, in mammalian cell lines, including cancer cells, allicin induces cell-death and inhibits cell proliferation. In plants allicin inhibits seed germination and attenuates root-development. The majority of allicin’s effects are believed to be mediated via redox-dependent mechanisms. In sub-lethal concentrations, allicin has a variety of health-promoting properties, for example cholesterol- and blood pressure-lowering effects that are advantageous for the cardio-vascular system. Clearly, allicin has wide-ranging and interesting applications in medicine and (green agriculture, hence the detailed discussion of its enormous potential in this review. Taken together, allicin is a fascinating biologically active compound whose properties are a direct consequence of the molecule’s chemistry.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  8. Research directions in plant protection chemistry

    Directory of Open Access Journals (Sweden)

    Andras Szekacs


    Full Text Available This Opinion paper briefly summarizes the views of the authors on the directions of research in the area of plant protection chemistry. We believe these directions need to focus on (1 the discovery of new pesticide active ingredients, and (2 the protection of human health and the environment. Research revenues are discussed thematically in topics of target site identification, pesticide discovery, environmental aspects, as well as keeping track with the international trends. The most fundamental approach, target site identification, covers both computer-aided molecular design and research on biochemical mechanisms. The discovery of various classes of pesticides is reviewed including classes that hold promise to date, as well as up-to-date methods of innovation, e.g. utilization of plant metabolomics in identification of novel target sites of biological activity. Environmental and ecological aspects represent a component of increasing importance in pesticide development by emphasizing the need to improve methods of environmental analysis and assess ecotoxicological side-effects, but also set new directions for future research. Last, but not least, pesticide chemistry and biochemistry constitute an integral part in the assessment of related fields of plant protection, e.g. agricultural biotechnology, therefore, issues of pesticide chemistry related to the development and cultivation of genetically modified crops are also discussed.

  9. In-Package Chemistry Abstraction

    Energy Technology Data Exchange (ETDEWEB)

    P.S. Domski


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

  10. Green chemistry by nano-catalysis

    KAUST Repository

    Polshettiwar, Vivek


    Nano-materials are important in many diverse areas, from basic research to various applications in electronics, biochemical sensors, catalysis and energy. They have emerged as sustainable alternatives to conventional materials, as robust high surface area heterogeneous catalysts and catalyst supports. The nano-sized particles increase the exposed surface area of the active component of the catalyst, thereby enhancing the contact between reactants and catalyst dramatically and mimicking the homogeneous catalysts. This review focuses on the use of nano-catalysis for green chemistry development including the strategy of using microwave heating with nano-catalysis in benign aqueous reaction media which offers an extraordinary synergistic effect with greater potential than these three components in isolation. To illustrate the proof-of-concept of this "green and sustainable" approach, representative examples are discussed in this article. © 2010 The Royal Society of Chemistry.

  11. A Comparison of Secondary Chemistry Courses and Chemistry Teacher Preparation Programs in Iowa and Saint Petersburg, Russia (United States)

    Sanger, Michael J.; Brincks, Erik L.; Phelps, Amy J.; Pak, Maria S.; Lyovkin, Antony N.


    This paper, which is a result of the collaboration between the University of Northern Iowa (UNI) in Cedar Falls, Iowa, and Herzen State Pedagogical University of Russia in Saint Petersburg, compares the 7-12 chemistry courses in Iowa and Saint Petersburg and the chemistry teacher preparation programs at UNI and Herzen. Differences in the 7-12 chemistry courses include curriculum design (spiral versus layer cake), students' extracurricular activities, and access to technology in the classroom. Differences in the chemistry teacher preparation programs include the number of methods and chemistry content courses required, the number of chemistry teaching majors, the proportion of teaching majors enrolled in the different natural science programs, and the typical minors and endorsements received by these majors. Although we noted many differences in chemistry instruction between Iowa and Saint Petersburg, the secondary and college instructors still face many similar issues, which include overcoming student chemophobia, improving students' algorithmic and problem-solving skills, improving students' conceptual understanding at the particulate level, and dealing with shortages in qualified secondary science teachers.

  12. Dual chemistry catalyzed by human acireductone dioxygenase. (United States)

    Deshpande, Aditi R; Pochapsky, Thomas C; Petsko, Gregory A; Ringe, Dagmar


    Acireductone dioxygenase (ARD) from the methionine salvage pathway of Klebsiella oxytoca is the only known naturally occurring metalloenzyme that catalyzes different reactions in vivo based solely on the identity of the divalent transition metal ion (Fe2+ or Ni2+) bound in the active site. The iron-containing isozyme catalyzes the cleavage of substrate 1,2-dihydroxy-3-keto-5-(thiomethyl)pent-1-ene (acireductone) by O2 to formate and the ketoacid precursor of methionine, whereas the nickel-containing isozyme uses the same substrates to catalyze an off-pathway shunt to form methylthiopropionate, carbon monoxide and formate. This dual chemistry was recently demonstrated in vitro by ARD from Mus musculus (MmARD), providing the first example of a mammalian ARD exhibiting metal-dependent catalysis. We now show that human ARD (HsARD) is also capable of metal-dependent dual chemistry. Recombinant HsARD was expressed and purified to obtain a homogeneous enzyme with a single transition metal ion bound. As with MmARD, the Fe2+-bound HsARD shows the highest activity and catalyzes on-pathway chemistry, whereas Ni2+, Co2+ or Mn2+ forms catalyze off-pathway chemistry. The thermal stability of the HsARD isozymes is a function of the metal ion identity, with Ni2+-bound HsARD being the most stable followed by Co2+ and Fe2+, and Mn2+-bound HsARD being the least stable. As with the bacterial ARD, solution NMR data suggest that HsARD isozymes can have significant structural differences depending upon the metal ion bound. © The Author 2017. Published by Oxford University Press. All rights reserved. For permissions, please e-mail:

  13. Alcohol combustion chemistry

    KAUST Repository

    Sarathy, Mani


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

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


    Mica, Chloe


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

  15. Multistep continuous-flow synthesis in medicinal chemistry

    DEFF Research Database (Denmark)

    Petersen, Trine P; Mirsharghi, Sahar; Rummel, Pia Cwarzko


    in overall yields of 49-94%. The system is modular and flexible, and the individual steps of the sequence can be interchanged with similar outcome, extending the scope of the chemistry. Biological evaluation confirmed activity on the chemokine CCR8 receptor and provided initial structure......-activity-relationship (SAR) information for this new ligand series, with the most potent member displaying full agonist activity with single-digit nanomolar potency. To the best of our knowledge, this represents the first published example of efficient use of multistep flow synthesis combined with biological testing and SAR...... studies in medicinal chemistry....

  16. Smart Cities Will Need Chemistry

    Directory of Open Access Journals (Sweden)

    Alexandru WOINAROSCHY


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

  17. Catalysis and sustainable (green) chemistry

    Energy Technology Data Exchange (ETDEWEB)

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


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

  18. Advances in electron transfer chemistry

    CERN Document Server

    Mariano, Patrick S


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

  19. Ethics in Science: The Unique Consequences of Chemistry. (United States)

    Kovac, Jeffrey


    This article discusses the ethical issues unique to the science and practice of chemistry. These issues arise from chemistry's position in the middle between the theoretical and the practical, a science concerned with molecules that are of the right size to directly affect human life. Many of the issues are raised by the central activity of chemistry--synthesis. Chemists make thousands of new substances each year. Many are beneficial, but others are threats. Since the development of the chemical industry in the nineteenth century, chemistry has contributed to the deterioration of the environment but has also helped to reduce pollution. Finally, we discuss the role of codes of ethics and whether the current codes of conduct for chemists are adequate for the challenges of today's world.

  20. Theme-Based Bidisciplinary Chemistry Laboratory Modules (United States)

    Leber, Phyllis A.; Szczerbicki, Sandra K.


    methanol to effect transesterification (3) and examining the effect of variations in leaf type and season on lipid composition. A second "Plant Assay" study involves preparing and characterizing analogs of naphthalene-1-acetamide, which is the active growth-promoting ingredient in commercial preparations such as Transplantone® and Rootone®. There are two direct methods for synthesizing the amide from the native plant growth regulator ("auxin") or carboxylic acid: acid-catalyzed hydrolysis of the nitrile or ammonolysis of the acid chloride derivative, prepared in situ from the acid by treatment with thionyl chloride (4). In the spring of 1996, organic chemistry students synthesized the amide derivatives of a number of auxins via the acid chloride intermediate, which is more efficiently prepared using oxalyl chloride (40-60% overall yield) instead of thionyl chloride (20-40% overall yield), or via nitrile hydrolysis (72-99% yield). Plant bioassays, based on measurement of pea stem segment elongation (5) have only been performed on the acetamide derivatives of three auxins, indole-3-acetic acid (IAA), naphthalene-1-acetic acid (1-NAA), and naphthalene-2-acetic acid (2-NAA). In comparison with the control, indole-3-acetamide and naphthalene-1-acetamide promoted growth by 50% and 90%, respectively. The acetamide of 2-NAA impeded growth by 30% relative to the control, an observation consistent with the known antiauxin activity of 2-NAA (6). Acquisition of the necessary imaging system for the teaching laboratory will enable students to extend these quantitative studies to other auxin conjugates. Acknowledgment We are grateful to the NSF for financial support through the Division of Undergraduate Education (DUE-9455693 and DUE-9550890). Literature Cited 1. Mayo, D. W.; Pike, R. M.; Trumper, P. K. Microscale Organic Laboratory, 3rd ed; John Wiley & Sons: New York, 1994; pp 202-203. 2. Browse, J.; McCourt, P. J.; Somerville, C. R. Anal. Biochem. 1986, 152, 141. 3. Rodig, O. R

  1. Mars aqueous chemistry experiment (United States)

    Clark, Benton C.; Mason, Larry W.


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

  2. Marine fragrance chemistry. (United States)

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


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


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

  4. Argumentation in undergraduate chemistry laboratories (United States)

    Walker, Joi Phelps

    To address the need for reform in undergraduate science education a new instructional model called Argument-Driven Inquiry (ADI) was developed and then implemented in a undergraduate chemistry course at a community college in the southeastern United States (Sampson, Walker, & Grooms, 2009; Walker, Sampson, & Zimmerman, in press). The ADI instructional model is designed to give a more central place to argumentation and the role of argument in the social construction of scientific knowledge. This research investigated the growth in the quality of the student generated arguments and the scientific argumentation that took place over the course of a semester. Students enrolled in two sections of General Chemistry I laboratory at the community college participated in this study. The students worked in collaborative groups of three or four. The students were given a variation of the same performance task three times during the semester in order to measure individual ability to use evidence and justify their choice of evidence with appropriate rationale. Five ADI investigations took place during the semester and the laboratory reports for each were collected from each student and the argument section of each report was scored. All the student groups were video recorded five times during the semester as they generated and evaluated arguments and the quality of the group argumentation was assessed using an instrument called the Assessment of Scientific Argumentation in the Classroom (ASAC) observation protocol. As time was the independent variable in this study a repeated measure ANOVA was used to evaluate the significance of student improvement in each area (argumentation, written argument and performance task) over the course of the semester (Trochim, 1999). In addition, a multiple regression analysis was conducted to evaluate how well the ASAC scores predicted individual scores on both the performance task and the written arguments (Green & Salkind, 2005). There was

  5. Aquatic chemistry of flood events (United States)

    Klavins, Maris; Rodinov, Valery


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

  6. Catalysis as a foundational pillar of green chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Anastas, Paul T. [White House Office of Science and Technology Policy, Department of Chemistry, University of Nottingham Nottingham, (United Kingdom); Kirchhoff, Mary M. [U.S. Environmental Protection Agency and Trinity College, Washington, DC (United States); Williamson, Tracy C. [U.S. Environmental Protection Agency, Washington, DC (United States)


    Catalysis is one of the fundamental pillars of green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances. The design and application of new catalysts and catalytic systems are simultaneously achieving the dual goals of environmental protection and economic benefit. Green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances, is an overarching approach that is applicable to all aspects of chemistry. From feedstocks to solvents, to synthesis and processing, green chemistry actively seeks ways to produce materials in a way that is more benign to human health and the environment. The current emphasis on green chemistry reflects a shift away from the historic 'command-and-control' approach to environmental problems that mandated waste treatment and control and clean up through regulation, and toward preventing pollution at its source. Rather than accepting waste generation and disposal as unavoidable, green chemistry seeks new technologies that are cleaner and economically competitive. Utilizing green chemistry for pollution prevention demonstrates the power and beauty of chemistry: through careful design, society can enjoy the products on which we depend while benefiting the environment. The economic benefits of green chemistry are central drivers in its advancement. Industry is adopting green chemistry methodologies because they improve the corporate bottom line. A wide array of operating costs are decreased through the use of green chemistry. When less waste is generated, environmental compliance costs go down. Treatment and disposal become unnecessary when waste is eliminated. Decreased solvent usage and fewer processing steps lessen the material and energy costs of manufacturing and increase material efficiency. The environmental, human health, and the economic advantages realized through green chemistry

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

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

  8. Promoting sustainability through green chemistry

    Energy Technology Data Exchange (ETDEWEB)

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


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

  9. Phosphorus chemistry in everyday living

    National Research Council Canada - National Science Library

    Toy, Arthur D. F


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

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

    Bailey, D.


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

  11. Sexism in the Chemistry Curriculum (United States)

    Arnold, Lois


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

  12. The Chemistry of a Mini (United States)

    Jones, C. E.


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

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

    Kirchhoff, Mary M.


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

  14. Organometallic chemistry of metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Muetterties, E.L.


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


    Energy Technology Data Exchange (ETDEWEB)

    Louie, Janis


    Our research presents several strategies for addressing the challenges of activating CO2. In addition, our cycloaddition chemistry addresses several fundamental issues pertaining to catalysis as it applies to energy conservation. Topics addressed include: DEVELOPMENT OF A CYCLOADDITION CATALYST; INCREASING THE UTILITY OF THE NI CYCLOADDITION CATALYST; UNDERSTANDING THE MECHANISM OF NI-CATALYZED CYCLOADDITION; and METAL-FREE CO{sub 2} ACTIVATION.

  16. Chemistry for Kids. Ester, What's in My Food? (United States)

    Clarke, Michele; And Others


    Describes three teaching activities used in the Chemistry for Kids program which focus on how esters are chemicals partially responsible for the flavor of foods. Includes a discussion of a demonstration involving role-playing, a set of taste tests, and an activity using chewing gum to investigate odors in food. (TW)

  17. Chemistry of phosphorus ylides 31: Reaction of azidocoumarin with ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 125; Issue 6. Chemistry of phosphorus ylides 31: Reaction of azidocoumarin with active phosphonium ylides, synthesis and antitumour activities of chromenones. Soher S Maigali Mansoura A Abd-El-Maksoud Fouad M Soliman. Regular Articles Volume 125 Issue 6 ...

  18. Smart Cities Will Need Chemistry


    Alexandru WOINAROSCHY


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

  19. Overview of PWR chemistry options

    Energy Technology Data Exchange (ETDEWEB)

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


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

  20. The Royal Society of Chemistry and the delivery of chemistry data repositories for the community (United States)

    Williams, Antony; Tkachenko, Valery


    Since 2009 the Royal Society of Chemistry (RSC) has been delivering access to chemistry data and cheminformatics tools via the ChemSpider database and has garnered a significant community following in terms of usage and contribution to the platform. ChemSpider has focused only on those chemical entities that can be represented as molecular connection tables or, to be more specific, the ability to generate an InChI from the input structure. As a structure centric hub ChemSpider is built around the molecular structure with other data and links being associated with this structure. As a result the platform has been limited in terms of the types of data that can be managed, and the flexibility of its searches, and it is constrained by the data model. New technologies and approaches, specifically taking into account a shift from relational to NoSQL databases, and the growing importance of the semantic web, has motivated RSC to rearchitect and create a more generic data repository utilizing these new technologies. This article will provide an overview of our activities in delivering data sharing platforms for the chemistry community including the development of the new data repository expanding into more extensive domains of chemistry data.