MIANN models in medicinal, physical and organic chemistry.

Science.gov (United States)

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

2013-01-01

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

Synthesis-Spectroscopy Roadmap Problems: Discovering Organic Chemistry

Science.gov (United States)

Kurth, Laurie L.; Kurth, Mark J.

2014-01-01

Organic chemistry problems that interrelate and integrate synthesis with spectroscopy are presented. These synthesis-spectroscopy roadmap (SSR) problems uniquely engage second-year undergraduate organic chemistry students in the personal discovery of organic chemistry. SSR problems counter the memorize-or-bust strategy that many students tend to…

Organic Chemistry Self Instructional Package 2: Methane.

Science.gov (United States)

Zdravkovich, V.

This booklet, one of a series of 17 developed at Prince George's Community College, Largo, Maryland, provides an individualized, self-paced undergraduate organic chemistry instruction module designed to augment any course in organic chemistry but particularly those taught using the text "Organic Chemistry" by Morrison and Boyd. The…

Organic Chemistry Self Instructional Package 12: Alkynes.

Science.gov (United States)

Zdravkovich, V.

This booklet, one of a series of 17 developed at Prince George's Community College, Largo, Maryland, provides an individualized, self-paced undergraduate organic chemistry instruction module designed to augment any course in organic chemistry but particularly those taught using the text "Organic Chemistry" by Morrison and Boyd. The…

Abstracts of the 2. Brazilian Symposium on Theoretical Chemistry

International Nuclear Information System (INIS)

1983-01-01

Abstracts from research works on theoretical chemistry are presented. Main subjects of study are: metallic bonds, hyperfine interactions, symetry of isotopically substituted molecules, photoionization reactions, electron impact reactions, applications of the perturbation theory. (C.L.B.) [pt

Organic Chemistry in Action! What Is the Reaction?

Science.gov (United States)

O'Dwyer, Anne; Childs, Peter

2015-01-01

The "Organic Chemistry in Action!" ("OCIA!") program is a set of teaching resources designed to facilitate the teaching and learning of introductory level organic chemistry. The "OCIA!" program was developed in collaboration with practicing and experienced chemistry teachers, using findings from Chemistry Education…

Organic Chemistry in Action! Developing an Intervention Program for Introductory Organic Chemistry to Improve Learners' Understanding, Interest, and Attitudes

Science.gov (United States)

O'Dwyer, Anne; Childs, Peter

2014-01-01

The main areas of difficulty experienced by those teaching and learning organic chemistry at high school and introductory university level in Ireland have been identified, and the findings support previous studies in Ireland and globally. Using these findings and insights from chemistry education research (CER), the Organic Chemistry in Action!…

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

Science.gov (United States)

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

2017-01-01

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

Analysis of Students’ Missed Organic Chemistry Quiz Questions that Stress the Importance of Prior General Chemistry Knowledge

OpenAIRE

Julie Ealy

2018-01-01

A concern about students’ conceptual difficulties in organic chemistry prompted this study. It was found that prior knowledge from general chemistry was critical in organic chemistry, but what were some of the concepts that comprised that prior knowledge? Therefore an analysis of four years of organic chemistry quiz data was undertaken. Multiple general chemistry concepts were revealed that are essential prior knowledge in organic chemistry. The general chemistry concepts that were foun...

A Comparison of How Undergraduates, Graduate Students, and Professors Organize Organic Chemistry Reactions

Science.gov (United States)

Galloway, Kelli R.; Leung, Min Wah; Flynn, Alison B.

2018-01-01

To explore the differences between how organic chemistry students and organic chemistry professors think about organic chemistry reactions, we administered a card sort task to participants with a range of knowledge and experience levels. Beginning students created a variety of categories ranging from structural similarities to process oriented…

The Distribution of Macromolecular Principles throughout Introductory Organic Chemistry

Science.gov (United States)

Shulman, Joel I.

2017-01-01

Many of the principles of organic polymer chemistry are direct extensions of the information contained in the standard introductory organic chemistry course. Often, however, the discussion of macromolecules is relegated to a chapter at the end of the organic chemistry text and is covered briefly, if at all. Connecting the organic-chemical…

Investigating Students' Similarity Judgments in Organic Chemistry

Science.gov (United States)

Graulich, N.; Bhattacharyya, G.

2017-01-01

Organic chemistry is possibly the most visual science of all chemistry disciplines. The process of scientific inquiry in organic chemistry relies on external representations, such as Lewis structures, mechanisms, and electron arrows. Information about chemical properties or driving forces of mechanistic steps is not available through direct…

Chemistry in South Africa - yesterday, today and tomorrow

International Nuclear Information System (INIS)

1987-01-01

The jubilee convention of the South African Chemical Institute covered the development of chemistry in South Africa. Specialists in the field of chemistry covered topics with reference to organic chemistry, extraction metallurgy, analytical chemistry, mass spectroscopy, instrumentation, theoretical chemistry, physical chemistry, chromatography, industrial chemistry and solid state chemistry

Titan: a laboratory for prebiological organic chemistry

Science.gov (United States)

Sagan, C.; Thompson, W. R.; Khare, B. N.

1992-01-01

When we examine the atmospheres of the Jovian planets (Jupiter, Saturn, Uranus, and Neptune), the satellites in the outer solar system, comets, and even--through microwave and infrared spectroscopy--the cold dilute gas and grains between the stars, we find a rich organic chemistry, presumably abiological, not only in most of the solar system but throughout the Milky Way galaxy. In part because the composition and surface pressure of the Earth's atmosphere 4 x 10(9) years ago are unknown, laboratory experiments on prebiological organic chemistry are at best suggestive; but we can test our understanding by looking more closely at the observed extraterrestrial organic chemistry. The present Account is restricted to atmospheric organic chemistry, primarily on the large moon of Saturn. Titan is a test of our understanding of the organic chemistry of planetary atmospheres. Its atmospheric bulk composition (N2/CH4) is intermediate between the highly reducing (H2/He/CH4/NH3/H2O) atmospheres of the Jovian planets and the more oxidized (N2/CO2/H2O) atmospheres of the terrestrial planets Mars and Venus. It has long been recognized that Titan's organic chemistry may have some relevance to the events that led to the origin of life on Earth. But with Titan surface temperatures approximately equal to 94 K and pressures approximately equal to 1.6 bar, the oceans of the early Earth have no ready analogue on Titan. Nevertheless, tectonic events in the water ice-rich interior or impact melting and slow re-freezing may lead to an episodic availability of liquid water. Indeed, the latter process is the equivalent of a approximately 10(3)-year-duration shallow aqueous sea over the entire surface of Titan.

Inorganic and organic radiation chemistry: state and problems

International Nuclear Information System (INIS)

Kalyazin, E.P.; Bugaenko, L.T.

1990-01-01

Radiation inorganic and organic chemistry is presented on the basis of the general scheme and classification of radiolysis products and elementary processes, by which evolution of radiation-affected substances up to the final radiolysis products takes place. The evolution is traced for the representatives of inorganic and organic compounds. The contribution of radiation inorganic and organic chemistry to radiation technology, radiation materials technology, radiation ecology and medicine, is shown. Tendencies in the development of radiation chemistry and prediction of its certain directions are considered

Atmospheric Prebiotic Chemistry and Organic Hazes

Science.gov (United States)

Trainer, Melissa G.

2012-01-01

Earth's atmospheric composition at the time of the origin of life is not known, but it has often been suggested that chemical transformation of reactive species in the atmosphere was a significant source of pre biotic organic molecules. Experimental and theoretical studies over the past half century have shown that atmospheric synthesis can yield molecules such as amino acids and nucleobases, but these processes are very sensitive to gas composition and energy source. Abiotic synthesis of organic molecules is more productive in reduced atmospheres, yet the primitive Earth may not have been as reducing as earlier workers assumed, and recent research has reflected this shift in thinking. This work provides a survey of the range of chemical products that can be produced given a set of atmospheric conditions, with a particular focus on recent reports. Intertwined with the discussion of atmospheric synthesis is the consideration of an organic haze layer, which has been suggested as a possible ultraviolet shield on the anoxic early Earth. Since such a haze layer - if formed - would serve as a reservoir for organic molecules, the chemical composition of the aerosol should be closely examined. The results highlighted here show that a variety of products can be formed in mildly reducing or even neutral atmospheres, demonstrating that contributions of atmospheric synthesis to the organic inventory on early Earth should not be discounted. This review intends to bridge current knowledge of the range of possible atmospheric conditions in the prebiotic environment and pathways for synthesis under such conditions by examining the possible products of organic chemistry in the early atmosphere.

Theoretical Approaches to Lignin Chemistry

OpenAIRE

Shevchenko, Sergey M.

1994-01-01

A critical review is presented of the applications of theoretical methods to the studies of the structure and chemical reactivity of lignin, including simulation of macromolecular properties, conformational calculations, quantum chemical analyses of electronic structure, spectra and chemical reactivity. Modern concepts of spatial organization and chemical reactivity of lignins are discussed.

"Drug" Discovery with the Help of Organic Chemistry.

Science.gov (United States)

Itoh, Yukihiro; Suzuki, Takayoshi

2017-01-01

The first step in "drug" discovery is to find compounds binding to a potential drug target. In modern medicinal chemistry, the screening of a chemical library, structure-based drug design, and ligand-based drug design, or a combination of these methods, are generally used for identifying the desired compounds. However, they do not necessarily lead to success and there is no infallible method for drug discovery. Therefore, it is important to explore medicinal chemistry based on not only the conventional methods but also new ideas. So far, we have found various compounds as drug candidates. In these studies, some strategies based on organic chemistry have allowed us to find drug candidates, through 1) construction of a focused library using organic reactions and 2) rational design of enzyme inhibitors based on chemical reactions catalyzed by the target enzyme. Medicinal chemistry based on organic chemical reactions could be expected to supplement the conventional methods. In this review, we present drug discovery with the help of organic chemistry showing examples of our explorative studies on histone deacetylase inhibitors and lysine-specific demethylase 1 inhibitors.

Mixed-Methods Study of Online and Written Organic Chemistry Homework

Science.gov (United States)

Malik, Kinza; Martinez, Nylvia; Romero, Juan; Schubel, Skyler; Janowicz, Philip A.

2014-01-01

Connect for organic chemistry is an online learning tool that gives students the opportunity to learn about all aspects of organic chemistry through the ease of the digital world. This research project consisted of two fundamental questions. The first was to discover whether there was a difference in undergraduate organic chemistry content…

From helical to planar chirality by on-surface chemistry

Czech Academy of Sciences Publication Activity Database

Stetsovych, Oleksandr; Švec, Martin; Vacek, Jaroslav; Vacek Chocholoušová, Jana; Jančařík, Andrej; Rybáček, Jiří; Kośmider, K.; Stará, Irena G.; Jelínek, Pavel; Starý, Ivo

2017-01-01

Roč. 9, č. 3 (2017), s. 213-218 ISSN 1755-4330 R&D Projects: GA ČR(CZ) GC14-16963J; GA ČR(CZ) GA14-29667S Institutional support: RVO:68378271 ; RVO:61388963 Keywords : chirality * AFM * STM * helicene * on surface chemistry * DFT Subject RIV: CF - Physical ; Theoretical Chemistry; CC - Organic Chemistry (UOCHB-X) OBOR OECD: Physical chemistry; Organic chemistry (UOCHB-X) Impact factor: 25.870, year: 2016

Love Story: Oxygen in Organic Chemistry

Science.gov (United States)

Roberts, John D.

1974-01-01

Significant discoveries and developments regarding oxygen and organic compounds are recounted to show that research in this specific area is worthwhile and relevant and to point out that research in other areas of organic chemistry deserves continued encouragement as well. (DT)

Incorporation of Medicinal Chemistry into the Organic Chemistry Curriculum

Science.gov (United States)

Forbes, David C.

2004-01-01

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

The Lens of Chemistry

Science.gov (United States)

Thalos, Mariam

2013-01-01

Chemistry possesses a distinctive theoretical lens--a distinctive set of theoretical concerns regarding the dynamics and transformations of a perplexing variety of organic and nonorganic substances--to which it must be faithful. Even if it is true that chemical facts bear a special (reductive) relationship to physical facts, nonetheless it will…

Understanding the Impact of a General Chemistry Course on Students' Transition to Organic Chemistry

Science.gov (United States)

Collins-Webb, Alexandra; Jeffery, Kathleen A.; Sweeder, Ryan D.

2016-01-01

The move from general chemistry to organic chemistry can be a challenge for students as it often involves a transition from quantitatively-oriented to mechanistically-oriented thinking. This study found that the design of the general chemistry course can change the student experience of this transition as assessed by a reflective survey. The…

Cellular uptake: lessons from supramolecular organic chemistry.

Science.gov (United States)

Gasparini, Giulio; Bang, Eun-Kyoung; Montenegro, Javier; Matile, Stefan

2015-07-04

The objective of this Feature Article is to reflect on the importance of established and emerging principles of supramolecular organic chemistry to address one of the most persistent problems in life sciences. The main topic is dynamic covalent chemistry on cell surfaces, particularly disulfide exchange for thiol-mediated uptake. Examples of boronate and hydrazone exchange are added for contrast, comparison and completion. Of equal importance are the discussions of proximity effects in polyions and counterion hopping, and more recent highlights on ring tension and ion pair-π interactions. These lessons from supramolecular organic chemistry apply to cell-penetrating peptides, particularly the origin of "arginine magic" and the "pyrenebutyrate trick," and the currently emerging complementary "disulfide magic" with cell-penetrating poly(disulfide)s. They further extend to the voltage gating of neuronal potassium channels, gene transfection, and the delivery of siRNA. The collected examples illustrate that the input from conceptually innovative chemistry is essential to address the true challenges in biology beyond incremental progress and random screening.

Experimental interstellar organic chemistry: Preliminary findings

Science.gov (United States)

Khare, B. N.; Sagan, C.

1971-01-01

In a simulation of interstellar organic chemistry in dense interstellar clouds or on grain surfaces, formaldehyde, water vapor, ammonia and ethane are deposited on a quartz cold finger and ultraviolet-irradiated in high vacuum at 77K. The HCHO photolytic pathway which produces an aldehyde radical and a superthermal hydrogen atom initiates solid phase chain reactions leading to a range of new compounds, including methanol, ethanol, acetaldehyde, acetonitrile, acetone, methyl formate, and possibly formic acid. Higher nitriles are anticipated. Genetic relations among these interstellar organic molecules (e.g., the Cannizzaro and Tischenko reactions) must exist. Some of them, rather than being synthesized from smaller molecules, may be degradation products of larger organic molecules, such as hexamethylene tetramine, which are candidate consitituents of the interstellar grains. The experiments reported here may also be relevant to cometary chemistry.

A Colorful Solubility Exercise for Organic Chemistry

Science.gov (United States)

Shugrue, Christopher R.; Mentzen, Hans H., II; Linton, Brian R.

2015-01-01

A discovery chemistry laboratory has been developed for the introductory organic chemistry student to investigate the concepts of polarity, miscibility, solubility, and density. The simple procedure takes advantage of the solubility of two colored dyes in a series of solvents or solvent mixtures, and the diffusion of colors can be easily…

Organic chemistry in a CO2 rich early Earth atmosphere

Science.gov (United States)

Fleury, Benjamin; Carrasco, Nathalie; Millan, Maëva; Vettier, Ludovic; Szopa, Cyril

2017-12-01

The emergence of life on the Earth has required a prior organic chemistry leading to the formation of prebiotic molecules. The origin and the evolution of the organic matter on the early Earth is not yet firmly understood. Several hypothesis, possibly complementary, are considered. They can be divided in two categories: endogenous and exogenous sources. In this work we investigate the contribution of a specific endogenous source: the organic chemistry occurring in the ionosphere of the early Earth where the significant VUV contribution of the young Sun involved an efficient formation of reactive species. We address the issue whether this chemistry can lead to the formation of complex organic compounds with CO2 as only source of carbon in an early atmosphere made of N2, CO2 and H2, by mimicking experimentally this type of chemistry using a low pressure plasma reactor. By analyzing the gaseous phase composition, we strictly identified the formation of H2O, NH3, N2O and C2N2. The formation of a solid organic phase is also observed, confirming the possibility to trigger organic chemistry in the upper atmosphere of the early Earth. The identification of Nitrogen-bearing chemical functions in the solid highlights the possibility for an efficient ionospheric chemistry to provide prebiotic material on the early Earth.

Misconception of pre-service chemistry teachers about the concept of resonances in organic chemistry course

Science.gov (United States)

Widarti, Hayuni Retno; Retnosari, Rini; Marfu'ah, Siti

2017-08-01

A descriptive quantitative research has been done to identify the level of understanding and misconceptions of the pre-service chemistry teachers related to the concept of resonance in the organic chemistry course. The subjects of the research were 51 students of State University of Malang, majoring Chemistry Education, currently in their fourth semester, 2015-2016 academic year who have taken the course of Organic Chemistry I. The instruments used in this research is a combination of 8 numbers of multiple choice tests with open answer questions and certainty of response index (CRI). The research findings revealed that there are still misconceptions found in the organic chemistry course, especially about the concept of resonance. There were several misconceptions of the pre-service chemistry teachers, such as resonance structures are in equilibrium with each other; resonance structures are two or more Lewis structures with different in arrangement of both atom and electron; resonance structures are only structures containing charged atoms; formal charge and resonance structures are not related; and the stability of resonance structures are only determined by location of charges in atoms found in such structures. There is also a lack of understanding of curved arrows notation to show electron pair movement.

Learning Organic Chemistry Through Natural Products -12 ...

Indian Academy of Sciences (India)

Higher Learning. Generations of students would vouch for the fact that he has the uncanny ability to present the chemistry of natural products logically and with feeling. The most interesting chemical aspect of a molecule is its. reactivHy pattern. NR Krishnaswamy. In this part of the series, dynamic organic chemistry and.

Practicing What We Preach: Assessing "Critical Thinking" in Organic Chemistry

Science.gov (United States)

Stowe, Ryan L.; Cooper, Melanie M.

2017-01-01

Organic chemistry is often promoted as a course designed to cultivate skill in scientific "ways of thinking." Expert organic chemists perceive their field as one in which plausible answers to complex questions are arrived at through analytical thought processes. They draw analogy between problem solving in organic chemistry and diagnosis…

Organic Chemistry Educators' Perspectives on Fundamental Concepts and Misconceptions: An Exploratory Study

Science.gov (United States)

Duis, Jennifer M.

2011-01-01

An exploratory study was conducted with 23 organic chemistry educators to discover what general chemistry concepts they typically review, the concepts they believe are fundamental to introductory organic chemistry, the topics students find most difficult in the subject, and the misconceptions they observe in undergraduate organic chemistry…

Gender Differences in Cognitive and Noncognitive Factors Related to Achievement in Organic Chemistry

Science.gov (United States)

Turner, Ronna C.; Lindsay, Harriet A.

2003-05-01

For many college students in the sciences, organic chemistry poses a difficult challenge. Indeed, success in organic chemistry has proven pivotal in the careers of a vast number of students in a variety of science disciplines. A better understanding of the factors that contribute to achievement in this course should contribute to efforts to increase the number of students in the science disciplines. Further, an awareness of gender differences in factors associated with achievement should aid efforts to bolster the participation of women in chemistry and related disciplines. Using a correlation research design, the individual relationships between organic chemistry achievement and each of several cognitive variables and noncognitive variables were assessed. In addition, the relationships between organic chemistry achievement and combinations of these independent variables were explored. Finally, gender- and instructor-related differences in the relationships between organic chemistry achievement and the independent variables were investigated. Cognitive variables included the second-semester general chemistry grade, the ACT English, math, reading, and science-reasoning scores, and scores from a spatial visualization test. Noncognitive variables included anxiety, confidence, effectance motivation, and usefulness. The second-semester general chemistry grade was found to be the best indicator of performance in organic chemistry, while the effectiveness of other predictors varied between instructors. In addition, gender differences were found in the explanations of organic chemistry achievement variance provided by this study. In general, males exhibited stronger correlations between predictor variables and organic chemistry achievement than females.

Hot atom chemistry of monovalent atoms in organic condensed phases

International Nuclear Information System (INIS)

Stoecklin, G.

1975-01-01

The advantages and disadvantages of hot atom studies in condensed organic phases are considered, and recent advances in condensed phase organic hot atom chemistry of recoil tritium and halogen atoms are discussed. Details are presented of the present status and understanding of liquid phase hot atom chemistry and also that of organic solids. The consequences of the Auger effect in condensed organic systems are also considered. (author)

Factors related to achievement in sophomore organic chemistry at the University of Arkansas

Science.gov (United States)

Lindsay, Harriet Arlene

The purpose of this study was to identify the significant cognitive and non-cognitive variables that related to achievement in the first semester of organic chemistry at the University of Arkansas. Cognitive variables included second semester general chemistry grade, ACT composite score, ACT English, mathematics, reading, and science reasoning subscores, and spatial ability. Non-cognitive variables included anxiety, confidence, effectance motivation, and usefulness. Using a correlation research design, the individual relationships between organic chemistry achievement and each of the cognitive variables and non-cognitive variables were assessed. In addition, the relationships between organic chemistry achievement and combinations of these independent variables were explored. Finally, gender- and instructor-related differences in the relationships between organic chemistry achievement and the independent variables were investigated. The samples consisted of volunteers from the Fall 1999 and Fall 2000 sections of Organic Chemistry I at the University of Arkansas. All students in each section were asked to participate. Data for spatial ability and non-cognitive independent variables were collected using the Purdue Visualization of Rotations test and the modified Fennema-Sherman Attitude Scales. Data for other independent variables, including ACT scores and second semester general chemistry grades, were obtained from the Office of Institutional Research. The dependent variable, organic chemistry achievement, was measured by each student's accumulated points in the course and consisted of scores on quizzes and exams in the lecture section only. These totals were obtained from the lecture instructor at the end of each semester. Pearson correlation and stepwise multiple regression analyses were used to measure the relationships between organic chemistry achievement and the independent variables. Prior performance in chemistry as measured by second semester general

Organic Chemistry Trivia: A Way to Interest Nonchemistry Majors

Science.gov (United States)

Farmer, Steven C.

2011-01-01

The use of in-class stories is an excellent way to keep a class interested in subject matter. Many organic chemistry classes are populated by nonchemistry majors, such as pre-med, pre-pharm, and biology students. Trivia questions are presented that are designed to show how organic chemistry is an important subject to students regardless of their…

Experiments in physical chemistry

CERN Document Server

Wilson, J M; Denaro, A R

1968-01-01

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

11th National Meeting of Organic Chemistry and 4th Meeting of Therapeutic Chemistry

Science.gov (United States)

Sousa, Maria Emília; Araújo, Maria João; do Vale, Maria Luísa; Andrade, Paula B.; Branco, Paula; Gomes, Paula; Moreira, Rui; Pinho e Melo, Teresa M.V.D.; Freitas, Victor

2016-01-01

For the first time under the auspices of Sociedade Portuguesa de Química, the competences of two important fields of Chemistry are brought together into a single event, the 11st National Organic Chemistry Meeting and the the 4th National Medicinal Chemistry Meeting, to highlight complementarities and to promote new synergies. Abstracts of plenary lectures, oral communications, and posters presented during the meeting are collected in this report. PMID:27102166

11th National Meeting of Organic Chemistry and 4th Meeting of Therapeutic Chemistry

Directory of Open Access Journals (Sweden)

Maria Emília Sousa

2016-03-01

Full Text Available For the first time under the auspices of Sociedade Portuguesa de Química, the competences of two important fields of Chemistry are brought together into a single event, the 11st National Organic Chemistry Meeting and the the 4th National Medicinal Chemistry Meeting, to highlight complementarities and to promote new synergies. Abstracts of plenary lectures, oral communications, and posters presented during the meeting are collected in this report.

Who Says Organic Chemistry Is Difficult? Exploring Perspectives and Perceptions

Science.gov (United States)

O'Dwyer, Anne; Childs, Peter E.

2017-01-01

Much research has identified organic chemistry as an area of difficulty for learners. There is also much literature pertaining to the factors that contribute to learners' difficulties. This paper explores the intersections of teachers' and learners' perceptions of teaching and learning organic chemistry respectively. Understanding these nuances…

Students' Understanding of Alkyl Halide Reactions in Undergraduate Organic Chemistry

Science.gov (United States)

Cruz-Ramirez de Arellano, Daniel

2013-01-01

Organic chemistry is an essential subject for many undergraduate students completing degrees in science, engineering, and pre-professional programs. However, students often struggle with the concepts and skills required to successfully solve organic chemistry exercises. Since alkyl halides are traditionally the first functional group that is…

Organic chemistry - Fast reactions 'on water'

NARCIS (Netherlands)

Klijn, JE; Engberts, JBFN

2005-01-01

Efficient reactions in aqueous organic chemistry do not require soluble reactants, as had been thought. A newly developed ‘on-water’ protocol is characterized by short reaction times, and the products are easy to isolate.

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

Higher Learning. ... The Series on "learning Organic Chemistry Through Natural Products". Nature is a remarkable ... skeletal structure to the interior electronic configu- ration ... Among the advantages of this approach are the fact that unlike the.

Current organic chemistry

National Research Council Canada - National Science Library

1997-01-01

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

Concept-Oriented Task Design: Making Purposeful Case Comparisons in Organic Chemistry

Science.gov (United States)

Graulich, Nicole; Schween, Michael

2018-01-01

Acquiring conceptual understanding seems to be one of the main challenges students face when studying organic chemistry. Traditionally, organic chemistry presents an extensive variety of chemical transformations, which often lead students to recall an organic transformation rather than apply conceptual knowledge. Strong surface level focus and…

Profiles in chemistry: a historical perspective on the national organic symposium.

Science.gov (United States)

Fenlon, Edward E; Myers, Brian J

2013-06-21

This perspective delineates the history of the National Organic Chemistry Symposium (NOS) and, in doing so, traces the development of organic chemistry over the past 88 years. The NOS is the premier event sponsored by the ACS Division of Organic Chemistry (ORGN) and has been held in odd-numbered years since 1925, with the exceptions of 1943 and 1945. During the 42 symposia, 332 chemists have given 549 plenary lectures. The role the NOS played in the launch of The Journal of Organic Chemistry and Organic Reactions and the initiation of the Roger Adams Award are discussed. Representative examples highlighting the chemistry presented in each era are described, and the evolution of the field is examined by assigning each NOS talk to one of seven subdisciplines and analyzing how the number of talks in each subdiscipline has changed over time. Comparisons of the demographics of speakers, attendees, and ORGN members are made, and superlatives are noted. Personal interest stories of the speakers are discussed, along with the relationships among them, especially their academic lineage. Logistical aspects of the NOS and their historical trends are reviewed. Finally, the human side of science is examined, where over the past century, the NOS has been intertwined with some of the most heated debates in organic chemistry. Conflicts and controversies involving free radicals, reaction mechanisms, and nonclassical carbocations are discussed.

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 16; Issue 12. Learning Organic Chemistry Through Natural Products - Architectural Designs in Molecular Constructions. N R Krishnaswamy. Volume 16 Issue 12 December 2011 pp 1287-1293 ...

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 2. Learning Organic Chemistry Through Natural Products Determination of Absolute Stereochemistry. N R Krishnaswamy. Series Article Volume 1 Issue 2 February 1996 pp 40-46 ...

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

Science.gov (United States)

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

2015-01-01

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

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 10. Learning Organic Chemistry Through Natural Products Architectural Designs in Molecular Constructions. N R Krishnaswamy. Series Article Volume 1 Issue 10 October 1996 pp 37-43 ...

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 7. Learning Organic Chemistry Through Natural engine Products - Structure and Biological Functions. N R Krishnaswamy. Series Article Volume 1 Issue 7 July 1996 pp 23-30 ...

Tc Chemistry in HLW: Role of Organic Complexants

International Nuclear Information System (INIS)

Hess, Nancy S.; Conradsen, Steven D.

2003-01-01

Tc complexation with organic compounds in tank waste plays a significant role in the redox chemistry of Tc and the partitioning of Tc between the supernatant and sludge components in waste tanks. These processes need to be understood so that strategies to effectively remove Tc from high-level nuclear waste prior to waste immobilization can be developed and so that long-term consequences of Tc remaining in residual waste after sludge removal can be evaluated. Only limited data on the stability of Tc-organic complexes exists and even less thermodynamic data on which to develop predictive models of Tc chemical behavior is available. To meet these challenges we are conducting a research program to study to develop thermodynamic data on Tc-organic complexation over a wide range of chemical conditions. We will attempt to characterize Tc-speciation in actual tank waste using state-of-the-art analytical organic chemistry, separations, and speciation techniques to validate our model. On the basis of such studies we will develop credible model of Tc chemistry in HLW that will allow prediction of Tc speciation in tank waste and Tc behavior during waste pretreatment processing and in waste tank residuals

Organic chemistry and biology of the interstellar medium

Science.gov (United States)

Sagan, C.

1973-01-01

Interstellar organic chemistry is discussed as the field of study emerging from the discovery of microwave lines of formaldehyde and of hydrogen cyanide in the interstellar medium. The reliability of molecular identifications and comparisons of interstellar and cometary compounds are considered, along with the degradational origin of simple organics. It is pointed out that the contribution of interstellar organic chemistry to problems in biology is not substantive but analogical. The interstellar medium reveals the operation of chemical processes which, on earth and perhaps on vast numbers of planets throughout the universe, led to the origin of life, but the actual molecules of the interstellar medium are unlikely to play any significant biological role.

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 5. Learning Organic Chemistry Through Natural Products From Molecular and Electronic Structures to Reactivity. N R Krishnaswamy. Series Article Volume 1 Issue 5 May 1996 pp 12-18 ...

Organics in environmental ices: sources, chemistry, and impacts

Directory of Open Access Journals (Sweden)

V. F. McNeill

2012-10-01

Full Text Available The physical, chemical, and biological processes involving organics in ice in the environment impact a number of atmospheric and biogeochemical cycles. Organic material in snow or ice may be biological in origin, deposited from aerosols or atmospheric gases, or formed chemically in situ. In this manuscript, we review the current state of knowledge regarding the sources, properties, and chemistry of organic materials in environmental ices. Several outstanding questions remain to be resolved and fundamental data gathered before an accurate model of transformations and transport of organic species in the cryosphere will be possible. For example, more information is needed regarding the quantitative impacts of chemical and biological processes, ice morphology, and snow formation on the fate of organic material in cold regions. Interdisciplinary work at the interfaces of chemistry, physics and biology is needed in order to fully characterize the nature and evolution of organics in the cryosphere and predict the effects of climate change on the Earth's carbon cycle.

Modeling the Explicit Chemistry of Anthropogenic and Biogenic Organic Aerosols

Energy Technology Data Exchange (ETDEWEB)

Madronich, Sasha [Univ. Corporation for Atmospheric Research, Boulder, CO (United States)

2015-12-09

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

Supramolecular chemistry: from molecular information towards self-organization and complex matter

International Nuclear Information System (INIS)

Lehn, Jean-Marie

2004-01-01

Molecular chemistry has developed a wide range of very powerful procedures for constructing ever more sophisticated molecules from atoms linked by covalent bonds. Beyond molecular chemistry lies supramolecular chemistry, which aims at developing highly complex chemical systems from components interacting via non-covalent intermolecular forces. By the appropriate manipulation of these interactions, supramolecular chemistry became progressively the chemistry of molecular information, involving the storage of information at the molecular level, in the structural features, and its retrieval, transfer, and processing at the supramolecular level, through molecular recognition processes operating via specific interactional algorithms. This has paved the way towards apprehending chemistry also as an information science. Numerous receptors capable of recognizing, i.e. selectively binding, specific substrates have been developed, based on the molecular information stored in the interacting species. Suitably functionalized receptors may perform supramolecular catalysis and selective transport processes. In combination with polymolecular organization, recognition opens ways towards the design of molecular and supramolecular devices based on functional (photoactive, electroactive, ionoactive, etc) components. A step beyond preorganization consists in the design of systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined supramolecular architectures by self-assembly from their components. Self-organization processes, directed by the molecular information stored in the components and read out at the supramolecular level through specific interactions, represent the operation of programmed chemical systems. They have been implemented for the generation of a variety of discrete functional architectures of either organic or inorganic nature. Self-organization processes also give access to advanced supramolecular materials, such as

Química orgânica experimental: integração de teoria, experimento e análise Experimental organic Chemistry: integration of theory, experiment and analysis

OpenAIRE

Lothar W. Bieber

1999-01-01

A new approach for teaching in basic experimental organic chemistry is presented. Experimental work goes on parallel to theoretical lectures leading to an immediate application of theoretical concepts transmitted therein. One day/week is dedicated exclusively to the organic laboratory. Reactions are proposed as problems to be solved; the student has to deduce the structure of the product on the basis of his observations, the analytical data and his mechanistical knowledge. 70 different experi...

Wilson and Gisvold's textbook of organic medicinal and pharmaceutical chemistry

National Research Council Canada - National Science Library

Wilson, Charles Owens; Beale, John Marlowe; Block, John H

2011-01-01

"For over half a century, Wilson and Gisvold's Textbook of Organic Medicinal and Pharmaceutical Chemistry has served the discipline of medicinal chemistry for both graduate and undergraduate pharmacy...

Multidisciplinary research in space sciences and engineering with emphasis on theoretical chemistry

Science.gov (United States)

Hirschfelder, J. O.; Curtiss, C. F.

1974-01-01

A broad program is reported of research in theoretical chemistry, particularly in molecular quantum and statistical mechanics, directed toward determination of the physical and chemical properties of materials, relation of these macroscopic properties to properties of individual molecules, and determination of the structure and properties of the individual molecules. Abstracts are presented for each research project conducted during the course of the program.

Mono- and binuclear non-heme iron chemistry from a theoretical perspective

Czech Academy of Sciences Publication Activity Database

Rokob, T. A.; Chalupský, Jakub; Bím, Daniel; Andrikopoulos, Prokopis C.; Srnec, Martin; Rulíšek, Lubomír

2016-01-01

Roč. 21, 5/6 (2016), s. 619-644 ISSN 0949-8257 R&D Projects: GA ČR(CZ) GJ15-10279Y; GA ČR(CZ) GA14-31419S; GA ČR GA15-19143S Grant - others:COST(XE) CM1305 Institutional support: RVO:61388963 ; RVO:61388955 Keywords : non-heme iron * density functional theory * multireference methods * dioxygen activation * reactivity Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.894, year: 2016

Implementing a Student-Designed Green Chemistry Laboratory Project in Organic Chemistry

Science.gov (United States)

Graham, Kate J.; Jones, T. Nicholas; Schaller, Chris P.; McIntee, Edward J.

2014-01-01

A multiweek organic chemistry laboratory project is described that emphasizes sustainable practices in experimental design. An emphasis on student-driven development of the project is meant to mirror the independent nature of research. Students propose environmentally friendly modifications of several reactions. With instructor feedback, students…

Trends in metallo-organic chemistry of scandium, yttrium, and the lanthanides

International Nuclear Information System (INIS)

Singh, A.

1994-01-01

Several interesting aspects of the metallo-organic chemistry of group 3 and the lanthanides have been highlighted, which include: (a) the chemistry of a few notable organolanthanide compounds, alkoxo and aryloxo derivatives derived from sterically demanding ligands, (b) new trends in the chemistry of lanthanide heterometallic alkoxides, (c) an account of zero valent organometallics of yttrium and the lanthanides, and (d) aspects of agostic interactions in the lanthanide metallo-organic compounds. (author). 49 refs

Benchmarking Problems Used in Second Year Level Organic Chemistry Instruction

Science.gov (United States)

Raker, Jeffrey R.; Towns, Marcy H.

2010-01-01

Investigations of the problem types used in college-level general chemistry examinations have been reported in this Journal and were first reported in the "Journal of Chemical Education" in 1924. This study extends the findings from general chemistry to the problems of four college-level organic chemistry courses. Three problem…

Microwaves in organic chemistry and organic chemical

Directory of Open Access Journals (Sweden)

Mijin Dušan Ž.

2005-01-01

Full Text Available The usual way of applying heat to a chemical reaction is the use of a Bunsen burner, an oil or some other type of bath, or an electric heater. In inorganic chemistry, microwave technology has been used since the late 1970s while it has been implemented in organic chemistry since the mid-1980s. Microwave heating has been used in the food industry for almost fifty years. The shorter reaction times and expanded reaction range that is offered by microwave technology are suited to the increased demands in industry. For example, there is a requirement in the pharmaceutical industry for a higher number of a novel chemical entities to be produced, which requires chemists to employ a number of resources to reduce time for the production of compounds. Also, microwaves are used in the food industry, as well as in the pyrolysis of waste materials, sample preparation, the solvent extraction of natural products and the hydrolysis of proteins and peptides.

Students' Understanding of Alkyl Halide Reactions in Undergraduate Organic Chemistry

Science.gov (United States)

Cruz-Ramírez de Arellano, Daniel; Towns, Marcy H.

2014-01-01

Organic chemistry is an essential subject for many undergraduate students completing degrees in science, engineering, and pre-professional programs. However, students often struggle with the concepts and skills required to successfully solve organic chemistry exercises. Since alkyl halides are traditionally the first functional group that is…

Microwave-assisted organic and polymer chemistry

NARCIS (Netherlands)

Hoogenboom, R.; Schubert, U.S.

2009-01-01

The first ACS symposium on Microwave-Assisted Chemistry: Organic and Polymer Synthesis, held as part of the ACS National meeting in Philadelphia, in August 2008, aimed at various topics of the use of microwave irradiation. The symposium found that specific heating effects, such as higher microwave

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

Science.gov (United States)

Miller, Tricia

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

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

SERIES I ARTICLE. Learning Organic Chemistry. Through Natural Products. 2. Determination of Absolute Stereochemistry. N R Krishnaswamy was initiated into the world of natural products by T R. Seshadri at University of. Delhi and has carried on the glorious traditions of his mentor. He has taught at Bangalore University,.

Perception of the Relevance of Organic Chemistry in a German Pharmacy Students’ Course

Science.gov (United States)

Wehle, Sarah

2016-01-01

Objective. To investigate German pharmacy students’ attitudes toward the relevance of organic chemistry training in Julius Maximilian University (JMU) of Würzburg with regard to subsequent courses in the curricula and in later prospective career options. Methods. Surveys were conducted in the second-year organic chemistry course (50 participants) as well as during the third-year and fourth-year lecture cycle on medicinal and pharmaceutical chemistry (66 participants) in 2014. Results. Students’ attitudes were surprisingly consistent throughout the progress of the degree course. Students considered organic chemistry very relevant to the pharmacy study program (95% junior and 97% senior students), and of importance for their future pharmacy program (88% junior and 94% senior students). With regard to prospective career options, the perceived relevance was considerably lower and attitudes were less homogenous. Conclusions. German pharmacy students at JMU Würzburg consider organic chemistry of high relevance for medicinal chemistry and other courses in JMU’s pharmacy program. PMID:27170811

Perception of the Relevance of Organic Chemistry in a German Pharmacy Students' Course.

Science.gov (United States)

Wehle, Sarah; Decker, Michael

2016-04-25

Objective. To investigate German pharmacy students' attitudes toward the relevance of organic chemistry training in Julius Maximilian University (JMU) of Würzburg with regard to subsequent courses in the curricula and in later prospective career options. Methods. Surveys were conducted in the second-year organic chemistry course (50 participants) as well as during the third-year and fourth-year lecture cycle on medicinal and pharmaceutical chemistry (66 participants) in 2014. Results. Students' attitudes were surprisingly consistent throughout the progress of the degree course. Students considered organic chemistry very relevant to the pharmacy study program (95% junior and 97% senior students), and of importance for their future pharmacy program (88% junior and 94% senior students). With regard to prospective career options, the perceived relevance was considerably lower and attitudes were less homogenous. Conclusions. German pharmacy students at JMU Würzburg consider organic chemistry of high relevance for medicinal chemistry and other courses in JMU's pharmacy program.

Impact of a Library Instruction Session on Bibliographies of Organic Chemistry Students

Science.gov (United States)

Kromer, John

2015-01-01

Students in Chemistry 254: Organic Chemistry for Majors were required to write a paper about an organic name reaction. Before turning in this assignment, students had the option of attending a one-hour library instruction session covering SciFinder, sources for spectra, ACS Style, and print resources about organic name reactions. Twenty-five…

Bio-organic chemistry at BARC

International Nuclear Information System (INIS)

Sharma, A.; Ghosh, S.K.; Chattopadhyay, S.

2009-01-01

Bioorganic chemistry plays a pivotal role of co-ordination amongst the research and developmental activities of physical, biological, material and nuclear sciences. Understandably, the domain of bioorganic chemistry encompasses overlapping scientific fields, and often involves multi-disciplinary subjects. The research activities of bioorganic research at BARC are, therefore directed with reference to deliverables, relevant to various nuclear and non-nuclear programmes of the department. Also, the activities of the division are fine tuned to address the contemporary needs. It is now well recognized that organic compounds are essential in various programmes of nuclear technology. These include solvents and membranes for the back-end process, carrier molecules for radiopharmaceuticals, optoelectrical materials and sensors for high tech applications etc. Coupled with this, bioorganics also form integral part of the departmental mission-oriented societal programmes in the areas of health and agriculture

Nomenclature and Terminology of Organic Chemistry. I. Sixty Years of Croatian Nomenclature of Organic Chemistry

Directory of Open Access Journals (Sweden)

Rapić, V.

2013-07-01

Full Text Available This article describes the history and development of the Croatian nomenclature of organic chemistry from the publication of the first translation of international nomenclature recommendations to the present age. In the Introduction, trivial, common, systematic (rational, and semisystematic names are defined, and the etymology and meaning of terms nomenclature and terminology are clarified.At the beginning of the central part of this article, attention is focused on the need to create our national nomenclature. The very first such project, initiated by the Croatian Chemical Society (CCS, was the translation of the Geneva (1892 and Lie`ge rules (1930 published in 1954. In 1979 comprehensive general IUPAC rules appeared, and the Croatian Society of Chemical Engineers (CSCE in two volumes printed the Croatian edition of this important document, known as the Blue Book, in 1985 and 1988. A Guide to IUPAC Nomenclature of Organic Compounds (1993 expanded the main principles and rules from the Blue Book, and introduced a higher degree of organic nomenclature systematization. The Croatian translation of the Guide was published in 2002. In the last six decades, almost fifty translations of international rules have been issued, and almost all of them represented the official recommendations of the CCS/CSCE. Finally, the nomenclature in the translations of five comprehensive textbooks fororganic chemistry is analysed.In conclusion, readers are informed that the Croatian version of IUPAC rules is applied in our secondary school and university education, in Croatian encyclopaedism and mass media, as well.

Horizons of organic and organoelemental chemistry. 7. All-Russian conference on organometallic chemistry. Program and summaries of communications. V. 1

International Nuclear Information System (INIS)

1999-01-01

Abstracts of the seventh All-Russian conference on organometallic chemistry are presented. The synthesis of organometallic compounds of rare earth, transition elements, the synthesis of organic boron compounds are played an important role in modern organic chemistry and the main part of reports are devoted to these problems. Methods of labelling by radioactive isotopes of organic compounds used in medicine are discussed

Organic chemistry in the atmosphere. [laboratory modeling of Titan atmosphere

Science.gov (United States)

Sagan, C.

1974-01-01

The existence of an at least moderately complex organic chemistry on Titan is stipulated based on clear evidence of methane, and at least presumptive evidence of hydrogen in its atmosphere. The ratio of methane to hydrogen is the highest of any atmosphere in the solar system. Irradiation of hydrogen/methane mixtures produces aromatic and aliphatic hydrocarbons. A very reasonable hypothesis assumes that the red cloud cover of Titan is made of organic chemicals. Two-carbon hydrocarbons experimentally produced from irradiated mixtures of methane, ammonia, water, and hydrogen bear out the possible organic chemistry of the Titanian environment.

Titan's organic chemistry: Results of simulation experiments

Science.gov (United States)

Sagan, Carl; Thompson, W. Reid; Khare, Bishun N.

1992-01-01

Recent low pressure continuous low plasma discharge simulations of the auroral electron driven organic chemistry in Titan's mesosphere are reviewed. These simulations yielded results in good accord with Voyager observations of gas phase organic species. Optical constants of the brownish solid tholins produced in similar experiments are in good accord with Voyager observations of the Titan haze. Titan tholins are rich in prebiotic organic constituents; the Huygens entry probe may shed light on some of the processes that led to the origin of life on Earth.

Looking forward: a glance into the future of organic chemistry

International Nuclear Information System (INIS)

Compain, Ph.; Desvergnes, V.; Suzenet, F.; Ollivier, C.; Robert, F.; Mihail, Barboiu; Belmont, Ph.; Bleriot, Y.; Bolze, F.; Bouquillon, S.; Bourguet, E.; Braida, B.; Constantieux, Th.; Desaubry, L.; Dupont, D.; Gastaldi, St.; Jerome, F.; Legoupy, St.; Marat, X.; Migaud, M.; Moitessier, N.; Papot, S.; Peri, F.; Petit, M.; Py, S.; Schulz, E.; Tranoy-Opalinski, I.; Vauzeilles, B.; Vayron, Ph.; Vergnes, L.; Vidal, S.; Wilmouth, S.

2006-01-01

What will organic chemistry do in the next forty years? This Perspective lists six tasks that have emerged during the first edition of ESYOP, a symposium devoted to the future of organic chemistry. The collective answer presented has been elaborated following a 4-step process: stimulating plenary lectures given by outstanding chemists and philosophers, short presentations given by each participant (average age: 34 years old), think-tank sessions and writing of the final report after the symposium. (authors)

Modeling of iodine radiation chemistry in the presence of organic compounds

International Nuclear Information System (INIS)

Taghipour, Fariborz; Evans, Greg J.

2002-01-01

A kinetic-based model was developed that simulates the radiation chemistry of iodine in the presence of organic compounds. The model's mechanistic description of iodine chemistry and generic semi-mechanistic reactions for various classes of organics, provided a reasonable representation of experimental results. The majority of the model and experimental results of iodine volatilization rates were in agreement within an order of magnitude

Experimental interstellar organic chemistry - Preliminary findings

Science.gov (United States)

Khare, B. N.; Sagan, C.

1973-01-01

Review of the results of some explicit experimental simulation of interstellar organic chemistry consisting in low-temperature high-vacuum UV irradiation of condensed simple gases known or suspected to be present in the interstellar medium. The results include the finding that acetonitrile may be present in the interstellar medium. The implication of this and other findings are discussed.

Nomenclature and Terminology of Organic Chemistry. I. Sixty Years of Croatian Nomenclature of Organic Chemistry

OpenAIRE

Rapić, V.; Varga-Defterdarović, L.

2013-01-01

This article describes the history and development of the Croatian nomenclature of organic chemistry from the publication of the first translation of international nomenclature recommendations to the present age. In the Introduction, trivial, common, systematic (rational), and semisystematic names are defined, and the etymology and meaning of terms nomenclature and terminology are clarified.At the beginning of the central part of this article, attention is focused on the need to create our na...

Mendeleev-2013. VII All-Russian conference of young scientists, postgraduate students and students with international participation on chemistry and nanomaterials. Book of abstracts. Section 4. Organic chemistry

International Nuclear Information System (INIS)

2013-01-01

VII All-Russian conference of young scientists, postgraduate students and students with international participation on chemistry and nanomaterials was conducted on the Chemistry department of Saint-Petersburg University on April, 2-5, 2013. In the conference participants from 14 countries took part. There were five sections: Nanochemistry and nanomaterials, Analytic chemistry, Inorganic chemistry, Organic chemistry, Physical chemistry. In the collection (Section 2 - Organic chemistry) there are the abstracts concerning different aspects of organic chemistry: synthesis and study of properties of heterocyclic, organometallic, biologically active, medicinal compounds, new ion exchange materials, reagents for analytic chemistry, etc [ru

Aspects and prospects of the chemistry of organic heterocycles (review)

International Nuclear Information System (INIS)

Schroth, W.

1986-01-01

The systematics of heterocycles, their place in organic chemistry, and their significance for theory and practice are discussed. Problems of the chemistry of heterocycles are discussed on the examples of systems with various types of conjugation and ring sizes. The focus is on the principles of synthesis of heterocycles, in particular, those based on acetylene, various C 3 fragments, carbon disulfide, and maleic anhydride. Individual sections of the survey are devoted to the role of heterocycles in biosynthesis, as well as certain problems common to the chemistry of heterocycles, biochemistry, and macromolecular chemistry

Technetium Chemistry in HLW: Role of Organic Complexants

International Nuclear Information System (INIS)

Hess, Nancy J.; Blanchard, David L. Jr.; Campbell, James A.; Cho, Herman M.; Rai, Dhanpat Rai; Xia, Yuanxian; Conradson, Steven D.

2002-01-01

Technetium complexation with organic compounds in tank waste plays a significant role in the redox chemistry of Tc and the partitioning of Tc between the supernatant and sludge components in waste tanks. These processes need to be understood so that strategies to effectively remove Tc from high-level nuclear waste prior to waste immobilization can be developed and so that longterm consequences of Tc remaining in residual waste after sludge removal can be evaluated. Only limited data on the stability of Tc-organic complexes exists, and even less thermodynamic data on which to develop predictive models of Tc chemical behavior is available. To meet these challenges, we present a research program to study Tc-speciation in actual tank waste using state-of-the-art analytical organic chemistry, separations, and speciation techniques. On the basis of such studies, we will acquire thermodynamic data for the identified Tc-organic complexes over a wide range of chemical conditions in order to develop credible models to predict Tc speciation in tank waste and Tc behavior during waste pretreatment processing and in waste tank residuals

The defect chemistry of nitrogen in oxides: A review of experimental and theoretical studies

International Nuclear Information System (INIS)

Polfus, Jonathan M.; Norby, Truls; Haugsrud, Reidar

2013-01-01

Incorporation of nitrogen into oxides has in recent years received increased attention as a variable for tuning their functional properties. A vast number of reports have been devoted to improving the photocatalytic properties of TiO 2 , p-type charge carrier concentration in ZnO and the ionic transport properties of ZrO 2 by nitrogen doping. In comparison, the fundamentals of the nitrogen related defect chemistry for a wider range of oxides have been less focused upon. In the present contribution, we review experimental and computational investigations of the nitrogen related defect chemistry of insulating and semiconducting oxides. The interaction between nitrogen and protons is important and emphasized. Specifically, the stability of nitrogen defects such as N O / , NH O × and (NH 2 ) O • is evaluated under various conditions and their atomistic and electronic structure is presented. A final discussion is devoted to the role of nitrogen with respect to transport properties and photocatalytic activity of oxides. - Graphical abstract: Experimental and theoretical investigations of the nitrogen related defect chemistry of a range of wide band gap oxides is reviewed. The interaction between nitrogen dopants and protons is emphasized and described through the atomistic and electronic structure as well as defect chemical processes involving NH and NH 2 defects. Consequently, the physical properties of oxides containing such species are discussed with respect to e.g., diffusion and photocatalytic properties. Highlights: ► Experimental and theoretical investigations of the nitrogen and hydrogen related defect chemistry of wide band gap oxides is reviewed. ► The interaction between nitrogen dopants and protons is important and emphasized. ► Diffusion and photocatalytic properties of N-doped oxides are discussed.

Correlation of preadmission organic chemistry courses and academic performance in biochemistry at a midwest chiropractic doctoral program.

Science.gov (United States)

McRae, Marc P

2010-01-01

Organic chemistry has been shown to correlate with academic success in the preclinical years of medicine, dentistry, and graduate physiology. The purpose of this study is to examine the relationship between undergraduate organic chemistry grades and first-semester biochemistry grades at a Midwest chiropractic doctoral program. Students enrolled in a first-semester biochemistry course who had completed the prerequisite courses in organic chemistry offered at this same institution were entered into the study. The total grade for each of the three courses was calculated using the midterm and final exam raw scores with a weighting of 50% each. Analysis consisted of obtaining correlation coefficients between the total grades of organic 1 with biochemistry and organic 2 with biochemistry. Using the biochemistry total grade, the students were divided into quartiles and course grades for both organic chemistry 1 and 2 were calculated. For the 109 students in the study, the correlation coefficient between the biochemistry and organic chemistry 1 and biochemistry and organic chemistry 2 courses was r = 0.744 and r = 0.725, respectively. The difference in organic chemistry grades between those in the first and fourth quartiles was 63.2% and 86.9% for organic chemistry 1 (p organic chemistry 2 (p organic chemistry can be used as an indicator of future academic success in a chiropractic biochemistry course. Knowledge of such a relationship could prove useful to identify students who may potentially run into academic difficulty with first-year biochemistry.

Extraterrestrial organic chemistry: from the interstellar medium to the origins of life. Part 2: complex organic chemistry in the environment of planets and satellites.

Science.gov (United States)

Raulin, F; Kobayashi, K

2001-01-01

During COSPAR'00 in Warsaw, Poland, in the frame of Sub-Commission F.3 events (Planetary Biology and Origins of Life), part of COSPAR Commission F (Life Sciences as Related to Space), and Commission B events (Space Studies of the Earth-Moon System, Planets, and Small Bodies of the Solar System) a large joint symposium (F.3.4/B0.8) was held on extraterrestrial organic chemistry. Part 2 of this symposium was devoted to complex organic chemistry in the environment of planets and satellites. The aim of this event was to cover and review new data which have been recently obtained and to give new insights on data which are expected in the near future to increase our knowledge of the complex organic chemistry occurring in several planets and satellites of the Solar System, outside the earth, and their implications for exobiology and life in the universe. The event was composed of two main parts. The first part was mainly devoted to the inner planets and Europa and the search for signatures of life or organics in those environments. The second part was related to the study of the outer solar system.

High-Throughput Synthetic Chemistry Enabled by Organic Solvent Disintegrating Tablet.

Science.gov (United States)

Li, Tingting; Xu, Lei; Xing, Yanjun; Xu, Bo

2017-01-17

Synthetic chemistry remains a time- and labor-intensive process of inherent hazardous nature. Our organic solvent disintegrating tablet (O-Tab) technology has shown potential to make industrial/synthetic chemistry more efficient. As is the case with pharmaceutical tablets, our reagent-containing O-Tabs are mechanically strong, but disintegrate rapidly when in contact with reaction media (organic solvents). For O-Tabs containing sensitive chemicals, they can be further coated to insulate them from air and moisture. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Correlation of Preadmission Organic Chemistry Courses and Academic Performance in Biochemistry at a Midwest Chiropractic Doctoral Program*

Science.gov (United States)

McRae, Marc P.

2010-01-01

Purpose: Organic chemistry has been shown to correlate with academic success in the preclinical years of medicine, dentistry, and graduate physiology. The purpose of this study is to examine the relationship between undergraduate organic chemistry grades and first-semester biochemistry grades at a Midwest chiropractic doctoral program. Methods: Students enrolled in a first-semester biochemistry course who had completed the prerequisite courses in organic chemistry offered at this same institution were entered into the study. The total grade for each of the three courses was calculated using the midterm and final exam raw scores with a weighting of 50% each. Analysis consisted of obtaining correlation coefficients between the total grades of organic 1 with biochemistry and organic 2 with biochemistry. Using the biochemistry total grade, the students were divided into quartiles and course grades for both organic chemistry 1 and 2 were calculated. Results: For the 109 students in the study, the correlation coefficient between the biochemistry and organic chemistry 1 and biochemistry and organic chemistry 2 courses was r = 0.744 and r = 0.725, respectively. The difference in organic chemistry grades between those in the first and fourth quartiles was 63.2% and 86.9% for organic chemistry 1 (p organic chemistry 2 (p organic chemistry can be used as an indicator of future academic success in a chiropractic biochemistry course. Knowledge of such a relationship could prove useful to identify students who may potentially run into academic difficulty with first-year biochemistry PMID:20480012

Boosting lithium storage in covalent organic framework via activation of 14-electron redox chemistry.

Science.gov (United States)

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

2018-02-08

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.

Medical Mycology and the Chemistry Classroom: Germinating Student Interest in Organic Chemistry

Science.gov (United States)

Bliss, Joseph M.; Reid, Christopher W.

2013-01-01

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…

Analysis of the Effect of Sequencing Lecture and Laboratory Instruction on Student Learning and Motivation Towards Learning Chemistry in an Organic Chemistry Lecture Course

Science.gov (United States)

Pakhira, Deblina

2012-01-01

Exposure to organic chemistry concepts in the laboratory can positively affect student performance, learning new chemistry concepts and building motivation towards learning chemistry in the lecture. In this study, quantitative methods were employed to assess differences in student performance, learning, and motivation in an organic chemistry…

Sunscreen synthesis and their immobilisation on polymethylmethacrylate: an integrated project in organic chemistry, polymer chemistry and photochemistry

International Nuclear Information System (INIS)

Murtinho, Dina Maria B.; Serra, Maria Elisa S.; Pineiro, Marta

2010-01-01

Dibenzalacetone and other aldol condensation products are known sunscreens commonly used in cosmetics. This type of compounds can easily be prepared in an Organic Chemistry Lab by reaction of aldehydes with ketones in basic medium. These compounds can be incorporated in poly(methyl methacrylate) and used as UV light absorbers, for example in sunglasses. This project has the advantage of using inexpensive reagents which are readily available in Chemistry Laboratories. This experiment can also be a base starting point for discussions of organic, polymer and photochemistry topics. (author)

Radiation chemistry

International Nuclear Information System (INIS)

Rodgers, F.; Rodgers, M.A.

1987-01-01

The contents of this book include: Interaction of ionizing radiation with matter; Primary products in radiation chemistry; Theoretical aspects of radiation chemistry; Theories of the solvated electron; The radiation chemistry of gases; Radiation chemistry of colloidal aggregates; Radiation chemistry of the alkali halides; Radiation chemistry of polymers; Radiation chemistry of biopolymers; Radiation processing and sterilization; and Compound index

Chemistry of Covalent Organic Frameworks.

Science.gov (United States)

Waller, Peter J; Gándara, Felipe; Yaghi, Omar M

2015-12-15

growing library of linkers amenable to the synthesis of COFs is now available, and new COFs and topologies made by reticular synthesis are being reported. Much research is also directed toward the development of new methods of linking organic building units to generate other crystalline COFs. These efforts promise not only new COF chemistry and materials, but also the chance to extend the precision of molecular covalent chemistry to extended solids.

The Importance of Undergraduate General and Organic Chemistry to the Study of Biochemistry in Medical School.

Science.gov (United States)

Scimone, Anthony; Scimone, Angelina A.

1996-01-01

Investigates chemistry topics necessary to facilitate the study of biochemistry in U.S. medical schools. Lists topics considered especially important and topics considered especially unimportant in general chemistry and organic chemistry. Suggests that in teaching undergraduate general or organic chemistry, the topics categorized as exceptionally…

Recent Discoveries and Future Challenges in Atmospheric Organic Chemistry.

Science.gov (United States)

Glasius, Marianne; Goldstein, Allen H

2016-03-15

Earth's atmosphere contains a multitude of organic compounds, which differ by orders of magnitude regarding fundamental properties such as volatility, reactivity, and propensity to form cloud droplets, affecting their impact on global climate and human health. Despite recent major research efforts and advances, there are still substantial gaps in understanding of atmospheric organic chemistry, hampering efforts to understand, model, and mitigate environmental problems such as aerosol formation in both polluted urban and more pristine regions. The analytical toolbox available for chemists to study atmospheric organic components has expanded considerably during the past decade, opening new windows into speciation, time resolution and detection of reactive and semivolatile compounds at low concentrations. This has provided unprecedented opportunities, but also unveiled new scientific challenges. Specific groundbreaking examples include the role of epoxides in aerosol formation especially from isoprene, the importance of highly oxidized, reactive organics in air-surface processes (whether atmosphere-biosphere exchange or aerosols), as well as the extent of interactions of anthropogenic and biogenic emissions and the resulting impact on atmospheric organic chemistry.

Organic chemistry of elemental phosphorus

International Nuclear Information System (INIS)

Milyukov, V A; Budnikova, Yulia H; Sinyashin, Oleg G

2005-01-01

The principal achievements and the modern trends in the development of the chemistry of elemental phosphorus are analysed, described systematically and generalised. The possibilities and advantages of the preparation of organophosphorus compounds directly from white phosphorus are demonstrated. Attention is focused on the activation and transformation of elemental phosphorus in the coordination sphere of transition metal complexes. The mechanisms of the reactions of white phosphorus with nucleophilic and electrophilic reagents are discussed. Electrochemical approaches to the synthesis of organic phosphorus derivatives based on white phosphorus are considered.

Progress in organic and physical chemistry structures and mechanisms

CERN Document Server

Zaikov, Gennady E; Lobanov, Anton V

2013-01-01

Progress in Organic and Physical Chemistry: Structures and Mechanisms provides a collection of new research in the field of organic and physical properties, including new research on: The physical principles of the conductivity of electrical conducting polymer compounds The dependence on constants of electromagnetic interactions upon electron spacial-energy characteristics Effects of chitosan molecultural weight on rehological behavior of chitosan modified nanoclay at hight hydrated state Bio-structural energy criteria of functional states in normal and pathological conditions Potentiometric study on the international between devalent cations and sodium carboxylates in aqueous solutions Structural characteristic changes in erythrocyte membranes of mice bearing Alzheimer's-like disease caused by the olfactory bulbetomy This volume is intended to provide an overview of new studies and research for engineers, faculty, researchers, and upper-level students in the field of organic and physical chemistry.

Organic Chemistry Students' Ideas about Nucleophiles and Electrophiles: The Role of Charges and Mechanisms

Science.gov (United States)

Anzovino, Mary E.; Bretz, Stacey Lowery

2015-01-01

Organic chemistry students struggle with reaction mechanisms and the electron-pushing formalism (EPF) used by practicing organic chemists. Faculty have identified an understanding of nucleophiles and electrophiles as one conceptual prerequisite to mastery of the EPF, but little is known about organic chemistry students' knowledge of nucleophiles…

Measuring Student Performance in General Organic Chemistry

Science.gov (United States)

Austin, Ara C.; Ben-Daat, Hagit; Zhu, Mary; Atkinson, Robert; Barrows, Nathan; Gould, Ian R.

2015-01-01

Student performance in general organic chemistry courses is determined by a wide range of factors including cognitive ability, motivation and cultural capital. Previous work on cognitive factors has tended to focus on specific areas rather than exploring performance across all problem types and cognitive skills. In this study, we have categorized…

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

Science.gov (United States)

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

2015-01-01

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

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.

Science.gov (United States)

Domingo, Luis R

2016-09-30

A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

Improvements to the Characterization of Organic Nitrogen Chemistry

Science.gov (United States)

Excess atmospheric nitrogen deposition can cause significant harmful effects to ecosystems. Organic nitrogen deposition can be an important contributor to the total nitrogen budget, contributing 10-30%, however there are large uncertainties in the chemistry and deposition of thes...

Biobased Organic Chemistry Laboratories as Sustainable Experiment Alternatives

Science.gov (United States)

Silverman, Julian R.

2016-01-01

As nonrenewable resources deplete and educators seek relevant interdisciplinary content for organic chemistry instruction, biobased laboratory experiments present themselves as potential alternatives to petroleum-based transformations, which offer themselves as sustainable variations on important themes. Following the principles of green chemistry…

Introducing Undergraduates to Research Using a Suzuki-Miyaura Cross-Coupling Organic Chemistry Miniproject

Science.gov (United States)

Oliveira, Deyvid G. M.; Rosa, Clarissa H.; Vargas, Bruna P.; Rosa, Diego S.; Silveira, Ma´rcia V.; de Moura, Neusa F.; Rosa, Gilber R.

2015-01-01

A five-week miniproject is described for an upper-division experimental organic chemistry course. The activities include synthesis of a phenylboronic acid via a Grignard reaction and its use in a Suzuki-Miyaura cross-coupling reaction. Technical skills and concepts normally presented in practical organic chemistry courses are covered, including…

Operating experience in correcting severe secondary chemistry upsets by controlling makeup water organics (TOC)

International Nuclear Information System (INIS)

Flint, W.G.; Mc Intosh, R.J.

1986-01-01

In this paper following observations are presented: conductivity and chloride excursions in steam condensate were directly linked to makeup water quality. Data strongly suggests that the breakdown of makeup water organics was responsible for substandard condensate water quality; although the short-term effects of gross organic contamination have been documented, the longer term consequences of continuous exposure by moderate organic levels needs to be addressed; a greater understanding of the organic removal efficiency of the various water purification technologies is essential to controlling TOC contamination; and a much better understanding of makeup plant chemistry and the interrelationship of makeup water contamination and plant chemistry has proven essential to optimizing plant performance and guaranteeing the best possible steam chemistry. The role of the chemistry group as an active participant in operations has been proven at Kewaunee Nuclear Plant

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Directory of Open Access Journals (Sweden)

Luis R. Domingo

2016-09-01

Full Text Available A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT, is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT, the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

Development and Implementation of a Two-Semester Introductory Organic-Bioorganic Chemistry Sequence: Conclusions from the First Six Years

Science.gov (United States)

Goess, Brian C.

2014-01-01

A two-semester second-year introductory organic chemistry sequence featuring one semester of accelerated organic chemistry followed by one semester of bioorganic chemistry is described. Assessment data collected over a six-year period reveal that such a course sequence can facilitate student mastery of fundamental organic chemistry in the first…

On the Applicability of the Green Chemistry Principles to Sustainability of Organic Matter on Asteroids

Directory of Open Access Journals (Sweden)

Vera M. Kolb

2010-06-01

Full Text Available The connection between astrobiology and green chemistry represents a new approach to sustainability of organic matter on asteroids or similar bodies. Green chemistry is chemistry which is environmentally friendly. One obvious way for chemistry to be green is to use water as a solvent, instead of more toxic organic solvents. Many astrobiological reactions occur in the aqueous medium, for example in the prebiotic soup or during the aqueous alteration period on asteroids. Thus any advances in the green organic reactions in water are directly applicable to astrobiology. Another green chemistry approach is to abolish use of toxic solvents. This can be accomplished by carrying out the reactions without a solvent in the solventless or solid-state reactions. The advances in these green reactions are directly applicable to the chemistry on asteroids during the periods when water was not available. Many reactions on asteroids may have been done in the solid mixtures. These reactions may be responsible for a myriad of organic compounds that have been isolated from the meteorites.

Application and Utilization of Electrochemistry in Organic Chemistry

Czech Academy of Sciences Publication Activity Database

Navrátil, Tomáš

2011-01-01

Roč. 15, č. 17 (2011), s. 2921-2922 ISSN 1385-2728 R&D Projects: GA AV ČR IAA400400806 Institutional research plan: CEZ:AV0Z40400503 Keywords : electrochemistry * organic chemistry * applications Subject RIV: CG - Electrochemistry Impact factor: 3.064, year: 2011

Learning Organic Chemistry Through Natural Products A Practical ...

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 9. Learning Organic Chemistry Through Natural Products A Practical Approach. N R Krishnaswamy. Series Article Volume 1 Issue 9 September 1996 pp 25-33. Fulltext. Click here to view fulltext PDF. Permanent link:

Atmospheric Chemistry of Micrometeoritic Organic Compounds

Science.gov (United States)

Kress, M. E.; Belle, C. L.; Pevyhouse, A. R.; Iraci, L. T.

2011-01-01

Micrometeorites approx.100 m in diameter deliver most of the Earth s annual accumulation of extraterrestrial material. These small particles are so strongly heated upon atmospheric entry that most of their volatile content is vaporized. Here we present preliminary results from two sets of experiments to investigate the fate of the organic fraction of micrometeorites. In the first set of experiments, 300 m particles of a CM carbonaceous chondrite were subject to flash pyrolysis, simulating atmospheric entry. In addition to CO and CO2, many organic compounds were released, including functionalized benzenes, hydrocarbons, and small polycyclic aromatic hydrocarbons. In the second set of experiments, we subjected two of these compounds to conditions that simulate the heterogeneous chemistry of Earth s upper atmosphere. We find evidence that meteor-derived compounds can follow reaction pathways leading to the formation of more complex organic compounds.

On the Applicability of the Green Chemistry Principles to Sustainability of Organic Matter on Asteroids

OpenAIRE

Vera M. Kolb

2010-01-01

The connection between astrobiology and green chemistry represents a new approach to sustainability of organic matter on asteroids or similar bodies. Green chemistry is chemistry which is environmentally friendly. One obvious way for chemistry to be green is to use water as a solvent, instead of more toxic organic solvents. Many astrobiological reactions occur in the aqueous medium, for example in the prebiotic soup or during the aqueous alteration period on asteroids. Thus any advances in th...

Building Bridges between Science Courses Using Honors Organic Chemistry Projects

Science.gov (United States)

Hickey, Timothy; Pontrello, Jason

2016-01-01

Introductory undergraduate science courses are traditionally offered as distinct units without formalized student interaction between classes. To bridge science courses, the authors used three Honors Organic Chemistry projects paired with other science courses. The honors students delivered presentations to mainstream organic course students and…

Biodiesel from Seeds: An Experiment for Organic Chemistry

Science.gov (United States)

Goldstein, Steven W.

2014-01-01

Plants can store the chemical energy required by their developing offspring in the form of triglycerides. These lipids can be isolated from seeds and then converted into biodiesel through a transesterification reaction. This second-year undergraduate organic chemistry laboratory experiment exemplifies the conversion of an agricultural energy…

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

OpenAIRE

Luis R. Domingo

2016-01-01

A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through ...

Evaluation of Learning Processes in an Organic Chemistry Course.

Science.gov (United States)

Maroto, B.; Camusso, C.; Cividini, M.

1997-01-01

Reviews a subjective exercise completed by students at the end of each of six units in an introductory organic chemistry course. Argues that instruction should be shaped by Ausubel's concept of meaningful learning. (DDR)

"Molecules-in-Medicine": Peer-Evaluated Presentations in a Fast-Paced Organic Chemistry Course for Medical Students

Science.gov (United States)

Kadnikova, Ekaterina N.

2013-01-01

To accentuate the importance of organic chemistry in development of contemporary pharmaceuticals, a three-week unit entitled "Molecules-in-Medicine" was included in the curriculum of a comprehensive one-semester four-credit organic chemistry course. After a lecture on medicinal chemistry concepts and pharmaceutical practices, students…

Advance Organizers and Examining of their Usage in 9th Grade Chemistry Textbooks

OpenAIRE

Canan NAKİBOĞLU; Nihan KAŞMER; Cem GÜLTEKİN; Füsun DÖNMEZ

2010-01-01

An advance organizer is the tool that is presented prior to the material to be learned, and that helps learners to organize and interpret new incoming information. In this study, a concept map concerning the classification of advance organizer was developed. Then, 9th grade chemistry textbooks written according to both current (year 2007) and past (year 1996) high school chemistry curriculum were examined by taking into account the concept map prepared. Next, the findings of each textbook ana...

The Critical Role of Organic Chemistry in Drug Discovery.

Science.gov (United States)

Rotella, David P

2016-10-19

Small molecules remain the backbone for modern drug discovery. They are conceived and synthesized by medicinal chemists, many of whom were originally trained as organic chemists. Support from government and industry to provide training and personnel for continued development of this critical skill set has been declining for many years. This Viewpoint highlights the value of organic chemistry and organic medicinal chemists in the complex journey of drug discovery as a reminder that basic science support must be restored.

Synthesis of Bisphenol Z: An Organic Chemistry Experiment

Science.gov (United States)

Gregor, Richard W.

2012-01-01

A student achievable synthesis of bisphenol Z, 4,4'-(cyclohexane-1,1-diyl)diphenol, from the acid-catalyzed reaction of phenol with cyclohexanone is presented. The experiment exemplifies all the usual pedagogy for the standard topic of electrophilic aromatic substitution present in the undergraduate organic chemistry curriculum, while providing…

Furfural - from biomass to organic chemistry laboratory

International Nuclear Information System (INIS)

Ribeiro, Paulo Roberto; Carvalho, Jose Roque Mota; Geris, Regina; Queiroz, Vinicius; Fascio, Miguel

2012-01-01

The goal of this manuscript is provide to students of Chemistry and related areas an alternative experiment in which they can obtain a compound and learn to observe and interpret properties and predict organic structure by obtaining furfural from biomass. Furfural is an organic compound, obtained through acid hydrolysis of pentosans, commonly used in the chemical and pharmaceutical industries. Students are guided to get furfural through extractive procedures and chemical reactions adapted to semi-micro laboratory scale. Characterization of furfural was done by chemical tests and physical properties. Identification was accomplished by a series of spectroscopic and spectrometric techniques. (author)

Stepwise Approach to Writing Journal-Style Lab Reports in the Organic Chemistry Course Sequence

Science.gov (United States)

Wackerly, Jay Wm.

2018-01-01

An approach is described that gradually transitions second-year organic chemistry students to writing full "The Journal of Organic Chemistry" ("JOC") style lab reports. The primary goal was to introduce students to and build rhetorical skills in scientific and technical writing. This was accomplished by focusing on four main…

Evaluation of a Flipped, Large-Enrollment Organic Chemistry Course on Student Attitude and Achievement

Science.gov (United States)

Mooring, Suazette R.; Mitchell, Chloe E.; Burrows, Nikita L.

2016-01-01

Organic Chemistry is recognized as a course that presents many difficulties and conceptual challenges for students. To combat the high failure rates and poor student attitudes associated with this challenging course, we implemented a "flipped" model for the first-semester, large-enrollment, Organic Chemistry course. In this flipped…

Shock-induced chemistry in organic materials

Energy Technology Data Exchange (ETDEWEB)

Dattelbaum, Dana M [Los Alamos National Laboratory; Sheffield, Steve [Los Alamos National Laboratory; Engelke, Ray [Los Alamos National Laboratory; Manner, Virginia [Los Alamos National Laboratory; Chellappa, Raja [Los Alamos National Laboratory; Yoo, Choong - Shik [WASHINGTON STATE UNIV

2011-01-20

The combined 'extreme' environments of high pressure, temperature, and strain rates, encountered under shock loading, offer enormous potential for the discovery of new paradigms in chemical reactivity not possible under more benign conditions. All organic materials are expected to react under these conditions, yet we currently understand very little about the first bond-breaking steps behind the shock front, such as in the shock initiation of explosives, or shock-induced reactivity of other relevant materials. Here, I will present recent experimental results of shock-induced chemistry in a variety of organic materials under sustained shock conditions. A comparison between the reactivity of different structures is given, and a perspective on the kinetics of reaction completion under shock drives.

Novel Aryne Chemistry in Organic Synthesis

Energy Technology Data Exchange (ETDEWEB)

Liu, Zhijian [Iowa State Univ., Ames, IA (United States)

2006-12-12

Arynes are among the most intensively studied systems in chemistry. However, many aspects of the chemistry of these reactive intermediates are not well understood yet and their use as reagents in synthetic organic chemistry has been somewhat limited, due to the harsh conditions needed to generate arynes and the often uncontrolled reactivity exhibited by these species. Recently, o-silylaryl triflates, which can generate the corresponding arynes under very mild reaction conditions, have been found very useful in organic synthesis. This thesis describes several novel and useful methodologies by employing arynes, which generate from o-silylaryl triflates, in organic synthesis. An efficient, reliable method for the N-arylation of amines, sulfonamides and carbamates, and the O-arylation of phenols and carboxylic acids is described in Chapter 1. Amines, sulfonamides, phenols, and carboxylic acids are good nucleophiles, which can react with arynes generated from a-silylaryl triflates to afford the corresponding N- and O-arylated products in very high yields. The regioselectivity of unsymmetrical arynes has also been studied. A lot of useful, functional groups can tolerate our reaction conditions. Carbazoles and dibenzofurans are important heteroaromatic compounds, which have a variety of biological activities. A variety of substituted carbazoles and dibenzofwans are readily prepared in good to excellent yields starting with the corresponding o-iodoanilines or o-iodophenols and o-silylaryl triflates by a treatment with CsF, followed by a Pd-catalyzed cyclization, which overall provides a one-pot, two-step process. By using this methodology, the carbazole alkaloid mukonine has been concisely synthesized in a very good yield. Insertion of an aryne into a σ-bond between a nucleophile and an electrophile (Nu-E) should potentially be a very beneficial process from the standpoint of organic synthesis. A variety of substituted ketones and sulfoxides have been synthesized in good

On Study of Teaching Reform of Organic Chemistry Course in Applied Chemical Industry Technology

Science.gov (United States)

Zhang, Yunshen

2017-11-01

with the implementation of new curriculum reform, the education sees great changes in teaching methods. Teaching reform is profound in organic chemistry course in applied chemical industry technology. However, many problems which have never been noticed before occur when reform programs are implemented which harm students’ ability for learning and enthusiasm in side face. This paper proposes reform measures like combining theory and practice, improving professional quality, supplementing professional needs and integrating teaching into life after analyzing organic chemistry course teaching in applied chemical industry technology currently, hoping to play a role of reference for organic chemistry course teaching reform in applied chemical industry technology.

A Forty Year Odyssey in Metallo-Organic Chemistry.

Science.gov (United States)

Nicholas, Kenneth M

2015-07-17

In this invited Perspective, I provide a personal account highlighting several of my group's research contributions in metallo-organic chemistry over the past 40 years. Our early work focused primarily in stoichiometric structure/reactivity of transition metal-organic compounds and their use in organic synthesis. More recent efforts have centered on the discovery and development of new metal-catalyzed organic reactions via reactive metal-organic intermediates. The major research findings that are described here include (1) propargyl-cobalt complexes as electrophilic agents for C-C and C-Nu coupling; (2) the activation of carbon dioxide by metal complexes; (3) metal-promoted C-H nitrogenation reactions; (4) oxo-metal catalyzed deoxygenation reactions; and (5) catalyst discovery via dynamic templating with substrate- and transition-state analogues.

What Does the Acid Ionization Constant Tell You? An Organic Chemistry Student Guide

Science.gov (United States)

Rossi, Robert D.

2013-01-01

Many students find the transition from first-year general chemistry to second-year organic chemistry a daunting task. There are many reasons for this, not the least of which is their lack of a solid understanding and appreciation of the importance of some basic concepts and principles from general chemistry that play an extremely critical role in…

Integrating Chemical Information Instruction into the Chemistry Curriculum on Borrowed Time: A Multiyear Case Study of a Capstone Research Report for Organic Chemistry

Science.gov (United States)

Jacobs, Danielle L.; Dalal, Heather A.; Dawson, Patricia H.

2016-01-01

To develop information literacy skills in chemistry and biochemistry majors at a primarily undergraduate institution, a multiyear collaboration between chemistry faculty and librarians has resulted in the establishment of a semester-long capstone project for Organic Chemistry II. Information literacy skills were instilled via a progressive…

Student Perceptions of Online Homework Use for Formative Assessment of Learning in Organic Chemistry

Science.gov (United States)

Richards-Babb, Michelle; Curtis, Reagan; Georgieva, Zornitsa; Penn, John H.

2015-01-01

Use of online homework as a formative assessment tool for organic chemistry coursework was examined. Student perceptions of online homework in terms of (i) its ranking relative to other course aspects, (ii) their learning of organic chemistry, and (iii) whether it improved their study habits and how students used it as a learning tool were…

Challenges in Creating Online Exercises and Exams in Organic Chemistry.

Science.gov (United States)

Jaun, Bernhard; Thilgen, Carlo

2018-02-01

e-Learning has become increasingly important in chemical education and online exams can be an attractive alternative to traditional exams written on paper, particularly in classes with a large number of students. Ten years ago, we began to set up an e-course complementing our lecture courses Organic Chemistry I and II within the open-source e-learning environment Moodle. In this article, we retrace a number of decisions we took over time, thereby illustrating the challenges one faces when creating online exercises and exams in (organic) chemistry. Special emphasis is put on the development of MOSFECCS (MOlecular Structural Formula Editor and Calculator of Canonical SMILES), our new editor for drawing structural formulae and converting them to alphanumeric SMILES codes that can be submitted as answers to e-problems. Convinced that the possibility for structure input is essential to set up sensible chemistry quizzes and exams, and realising that existing tools present major flaws in an educational context, we decided to embark on the implementation of MOSFECCS which takes into account a number of didactic aspects.

Green chemistry principles in organic compound synthesis and analysis

Directory of Open Access Journals (Sweden)

Ruchi Verma

2014-03-01

Full Text Available The present review focus on various green chemistry approaches which could be utilized in the organic compounds in practical classes for undergraduate level in comparison of conventional methods. These methods avoid the usage of hazardous substances and are environmental friendly.

Effectiveness of Analogy Instructional Strategy on Undergraduate Student's Acquisition of Organic Chemistry Concepts in Mutah University, Jordan

Science.gov (United States)

Samara, Nawaf Ahmad Hasan

2016-01-01

This study aimed at investigating the effectiveness of analogy instructional strategy on undergraduate students' acquisition of organic chemistry concepts in Mutah University, Jordan. A quasi-experimental design was used in the study; Participants were 97 students who enrolled in organic chemistry course at the department of chemistry during the…

High Structure Active Learning Pedagogy for the Teaching of Organic Chemistry: Assessing the Impact on Academic Outcomes

Science.gov (United States)

Crimmins, Michael T.; Midkiff, Brooke

2017-01-01

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…

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

International Nuclear Information System (INIS)

Ryan, R.R.

1981-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1981-05-01

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

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

Science.gov (United States)

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

2014-01-01

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

Ion-molecule reactions: their role in radiation chemistry

International Nuclear Information System (INIS)

Lias, S.G.; Ausloos, P.

1975-01-01

A comprehensive review of ion--molecule reactions is presented, including information from mass spectrometric, organic chemistry, and NMR studies, from theoretical calculations, and from gas and liquid phase radiation chemistry. Special emphasis is placed on interpreting the role of ion--molecule reactions in systems under high energy irradiation. The discussion is presented under the following chapter headings: ion--molecule reactions and their role in radiation chemistry; unimolecular processes: the nature and structure of ionic intermediates in radiolysis; ion lifetimes and the fate of unreactive ions; kinetics and mechanisms of ion--molecule reactions; proton transfer reactions; negative atom and two-atom transfer reactions; condensation reactions; and, association or clustering reactions

Beyond Rote Learning in Organic Chemistry: The Infusion and Impact of Argumentation in Tertiary Education

Science.gov (United States)

Pabuccu, Aybuke; Erduran, Sibel

2017-01-01

There exists bias among students that learning organic chemistry topics requires rote learning. In this paper, we address such bias through an organic chemistry activity designed to promote argumentation. We investigated how pre-service science teachers engage in an argumentation about conformational analysis. Analysis of the outcomes concentrated…

Superheavy Elements Challenge Experimental and Theoretical Chemistry

CERN Document Server

Zvára, I

2003-01-01

When reflecting on the story of superheavy elements, the an experimenter, acknowledges the role, which the predictions of nuclear and chemical theories have played in ongoing studies. Today, the problems of major interest for experimental chemistry are the studies of elements 112 and 114 including their chemical identification. Advanced quantum chemistry calculations of atoms and molecules would be of much help. First experiments with element 112 evidence that the metal is much more volatile and inert than mercury.

Azeotropic Preparation of a "C"-Phenyl "N"-Aryl Imine: An Introductory Undergraduate Organic Chemistry Laboratory Experiment

Science.gov (United States)

Silverberg, Lee J.; Coyle, David J.; Cannon, Kevin C.; Mathers, Robert T.; Richards, Jeffrey A.; Tierney, John

2016-01-01

Imines are important in biological chemistry and as intermediates in organic synthesis. An experiment for introductory undergraduate organic chemistry is presented in which benzaldehyde was condensed with "p"-methoxyaniline in toluene to give 4-methoxy-"N"-(phenylmethylene)benzenamine. Water was removed by azeotropic…

Positronium chemistry

CERN Document Server

Green, James

1964-01-01

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

The tip of the iceberg in organic chemistry classes : how do students deal with the invisible?

OpenAIRE

Graulich, Nicole

2015-01-01

Organic chemistry education is one of the youngest research areas among all chemistry related research efforts, and its published scholarly work has become vibrant and diverse over the last 15 years. Research on problem-solving behavior, students´ use of the arrow-pushing formalism, the investigation of students´ conceptual knowledge and their cognitive skills have shaped our understanding of college students´ understanding in organic chemistry classes. This review provides an overview of res...

Delayed Reaction: The Tardy Embrace of Physical Organic Chemistry by the German Chemical Community.

Science.gov (United States)

Weininger, Stephen J

2018-02-01

The emergence of physical organic chemistry, which focuses on the mechanisms and structures of organic reactions and molecules using the tools of physical chemistry, was a major development in twentieth-century chemistry. It first flourished in the interwar period, in the UK and then in the US. Germany, by contrast, did not embrace the field until almost a half century later. The great success of classical organic chemistry, especially in synthesis, encouraged indifference to the new field among German chemists, as did their inductivist research philosophy, as enunciated by Walter Hückel's ground-breaking textbook (1931). This author also resisted new concepts and representations, especially those of the American theoretician, Linus Pauling. The arrival of the Nazi regime reinforced such resistance. Postwar conditions initiated a reaction against this conservative, nationalistic attitude, especially in the American Occupation Zone. Exposure to American textbooks and visiting lecturers influenced attitudes of younger chemists. The accompanying shift towards a more explanatory, less hierarchical mode of pedagogy was consonant with larger social and political developments.

Integrating Symmetry in Stereochemical Analysis in Introductory Organic Chemistry

Science.gov (United States)

Taagepera, Mare; Arasasingham, Ramesh D.; King, Susan; Potter, Frank; Martorell, Ingrid; Ford, David; Wu, Jason; Kearney, Aaron M.

2011-01-01

We report a comparative study using "knowledge space theory" (KAT) to assess the impact of a hands-on laboratory exercise that used molecular model kits to emphasize the connections between a plane of symmetry, Charity, and isomerism in an introductory organic chemistry course. The experimental design compared three groups of…

Flipped Classroom in Organic Chemistry Has Significant Effect on Students’ Grades

Directory of Open Access Journals (Sweden)

Caroline Cormier

2018-01-01

Full Text Available The flipped classroom as a form of active pedagogy in postsecondary chemistry has been developed during the last 10 years and has been gaining popularity with instructors and students ever since. In the current paradigm in science, technology, engineering, and mathematics education, it is widely recognized that active learning has significant positive effects on students’ grades. Postsecondary organic chemistry is a difficult course for students, and the traditional way of teaching does not foster students’ active involvement. Implementation of active pedagogy could increase students’ achievement in this course. However, few quantitative data are available on the impact of active pedagogy in general, or flipped classrooms in particular, on learning in organic chemistry at a postsecondary level. Thus, in this study, we evaluated the gain on final grade scores in organic chemistry after implementing a flipped classroom approach to promote active learning in this course. We encouraged students to be active by having them watch educational videos before each class and then having them work during class time on problems that focused on applying the concepts presented in the videos. Exams were the same as those completed by students in the traditional classrooms of our college. In an a posteriori analysis of our students’ grades, we compared final grades in traditional classrooms (control group, N = 66 and in flipped classrooms (experimental group, N = 151. The sample was stratified in three categories depending on students’ academic ability in college, from low-achieving to high-achieving students. Our results show that students in the experimental group have significantly higher final grades in organic chemistry than those in the control group, that is, 77% for students in the active classroom vs. 73% in the traditional classroom (p < 0.05. The effect was the greatest for low-achieving students, with final scores of 70% in

Intuitive Judgments Govern Students' Answering Patterns in Multiple-Choice Exercises in Organic Chemistry

Science.gov (United States)

Graulich, Nicole

2015-01-01

Research in chemistry education has revealed that students going through their undergraduate and graduate studies in organic chemistry have a fragmented conceptual knowledge of the subject. Rote memorization, rule-based reasoning, and heuristic strategies seem to strongly influence students' performances. There appears to be a gap between what we…

Student Perceptions of Online Homework Use for Formative Assessment of Learning in Organic Chemistry.

Science.gov (United States)

Richards-Babb, Michelle; Curtis, Reagan; Georgieva, Zomitsa; Penn, John H

2015-11-10

Use of online homework as a formative assessment tool for organic chemistry coursework was examined. Student perceptions of online homework in terms of (i) its ranking relative to other course aspects, (ii) their learning of organic chemistry, and (iii) whether it improved their study habits and how students used it as a learning tool were investigated. Our students perceived the online homework as one of the more useful course aspects for learning organic chemistry content. We found a moderate and statistically significant correlation between online homework performance and final grade. Gender as a variable was ruled out since significant gender differences in overall attitude toward online homework use and course success rates were not found. Our students expressed relatively positive attitudes toward use of online homework with a majority indicating improved study habits (e.g., study in a more consistent manner). Our students used a variety of resources to remediate incorrect responses (e.g., class materials, general online materials, and help from others). However, 39% of our students admitted to guessing at times, instead of working to remediate incorrect responses. In large enrollment organic chemistry courses, online homework may act to bridge the student-instructor gap by providing students with a supportive mechanism for regulated learning of content.

Synthesis of liquid crystals derived from nitroazobenzene: a proposed multistep synthesis applied to organic chemistry laboratory classes

International Nuclear Information System (INIS)

Cristiano, Rodrigo; Cabral, Marilia Gabriela B.; Aquino, Rafael B. de; Cristiano, Claudia M.Z.

2014-01-01

We describe a synthetic route consisting of five steps from aniline to obtain liquid crystal compounds derived from nitroazobenzene. Syntheses were performed during the second half of the semester in organic chemistry laboratory classes. Students characterized the liquid crystal phase by the standard melting point techniques, differential scanning calorimetry and polarized optical microscopy. These experiments allow undergraduate students to explore fundamentally important reactions in Organic Chemistry, as well as modern concepts in Chemistry such as self-assembly and self-organization, nanostructured materials and molecular electronics. (author)

Does Mechanistic Thinking Improve Student Success in Organic Chemistry?

Science.gov (United States)

Grove, Nathaniel P.; Cooper, Melanie M.; Cox, Elizabeth L.

2012-01-01

The use of the curved-arrow notation to depict electron flow during mechanistic processes is one of the most important representational conventions in the organic chemistry curriculum. Our previous research documented a disturbing trend: when asked to predict the products of a series of reactions, many students do not spontaneously engage in…

Synthesis and Chemistry of Organic Geminal Di- and Triazides.

Science.gov (United States)

Häring, Andreas P; Kirsch, Stefan F

2015-11-06

This review recapitulates all available literature dealing with the synthesis and reactivity of geminal organic di- and triazides. These compound classes are, to a large extent, unexplored despite their promising chemical properties and their simple preparation. In addition, the chemistry of carbonyl diazide (2) and tetraazidomethane (105) is described in separate sections.

Detection of Organics at Mars: How Wet Chemistry Onboard SAM Helps

Science.gov (United States)

Buch, A.; Freissinet, Caroline; Szopa, C.; Glavin, D.; Coll, P.; Cabane, M.; Eigenbrode, J.; Navarro-Gonzalez, R.; Coscia, D.; Teinturier, S.;

Redox chemistry and natural organic matter (NOM): Geochemists' dream, analytical chemists' nightmare

Science.gov (United States)

Macalady, Donald L.; Walton-Day, Katherine

2011-01-01

Natural organic matter (NOM) is an inherently complex mixture of polyfunctional organic molecules. Because of their universality and chemical reversibility, oxidation/reductions (redox) reactions of NOM have an especially interesting and important role in geochemistry. Variabilities in NOM composition and chemistry make studies of its redox chemistry particularly challenging, and details of NOM-mediated redox reactions are only partially understood. This is in large part due to the analytical difficulties associated with NOM characterization and the wide range of reagents and experimental systems used to study NOM redox reactions. This chapter provides a summary of the ongoing efforts to provide a coherent comprehension of aqueous redox chemistry involving NOM and of techniques for chemical characterization of NOM. It also describes some attempts to confirm the roles of different structural moieties in redox reactions. In addition, we discuss some of the operational parameters used to describe NOM redox capacities and redox states, and describe nomenclature of NOM redox chemistry. Several relatively facile experimental methods applicable to predictions of the NOM redox activity and redox states of NOM samples are discussed, with special attention to the proposed use of fluorescence spectroscopy to predict relevant redox characteristics of NOM samples.

XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Summary of reports

International Nuclear Information System (INIS)

2011-01-01

The collection contains materials of plenary, sectional and poster sessions, presented at the XI International conference Problems of solvation and complex formation in solutions, and VI Conference of young scientists Theoretical and experimental chemistry of liquid-phase systems (Krestovsky readings). Theoretical questions and new experimental methods of chemistry of solutions, structure and dynamics of molecular and ion-molecular systems in solution and at the phase boundary; modern aspects of applied chemistry of solutions are discussed [ru

Magnetical and optical properties of nanodiamonds can be tuned by particles surface chemistry: theoretical and experimental study

Czech Academy of Sciences Publication Activity Database

Kratochvílová, Irena; Šebera, Jakub; Ashcheulov, Petr; Golan, Martin; Ledvina, Miroslav; Mičová, Júlia; Mravec, F.; Kovalenko, A.; Zverev, D.; Yavkin, B.; Orlinskii, S.; Záliš, Stanislav; Fišerová, Anna; Richter, Jan; Šefc, L.; Turánek, J.

2014-01-01

Roč. 118, č. 43 (2014), s. 25245-25252 ISSN 1932-7447 R&D Projects: GA TA ČR TA01011165; GA ČR(CZ) GA14-10279S Institutional support: RVO:68378271 ; RVO:61388971 ; RVO:61388963 ; RVO:61388955 Keywords : nanodiamond particles * NV luminescent centers * surface functionalization * DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.772, year: 2014

Water and complex organic chemistry in the cold dark cloud Barnard 5: Observations and Models

Science.gov (United States)

Wirström, Eva; Charnley, Steven B.; Taquet, Vianney; Persson, Carina M.

2015-08-01

Studies of complex organic molecule (COM) formation have traditionally been focused on hot cores in regions of massive star formation, where chemistry is driven by the elevated temperatures - evaporating ices and allowing for endothermic reactions in the gas-phase. As more sensitive instruments have become available, the types of objects known to harbour COMs like acetaldehyde (CH3CHO), dimethyl ether (CH3OCH3), methyl formate (CH3OCHO), and ketene (CH2CO) have expanded to include low mass protostars and, recently, even pre-stellar cores. We here report on the first in a new category of objects harbouring COMs: the cold dark cloud Barnard 5 where non-thermal ice desorption induce complex organic chemistry entirely unrelated to local star-formation.Methanol, which only forms efficiently on the surfaces of dust grains, provide evidence of efficient non-thermal desorption of ices in the form of prominent emission peaks offset from protostellar activity and high density tracers in cold molecular clouds. A study with Herschel targeting such methanol emission peaks resulted in the first ever detection of gas-phase water offset from protostellar activity in a dark cloud, at the so called methanol hotspot in Barnard 5.To model the effect a transient injection of ices into the gas-phase has on the chemistry of a cold, dark cloud we have included gas-grain interactions in an existing gas-phase chemical model and connected it to a chemical reaction network updated and expanded to include the formation and destruction paths of the most common COMs. Results from this model will be presented.Ground-based follow-up studies toward the methanol hotspot in B5 have resulted in the detection of a number of COMs, including CH2CO, CH3CHO, CH3OCH3, and CH3OCHO, as well as deuterated methanol (CH2DOH). Observations have also confirmed that COM emission is extended and not localised to a core structure. The implications of these observational and theoretical studies of B5 will be discussed

A Cost-Effective Two-Part Experiment for Teaching Introductory Organic Chemistry Techniques

Science.gov (United States)

Sadek, Christopher M.; Brown, Brenna A.; Wan, Hayley

2011-01-01

This two-part laboratory experiment is designed to be a cost-effective method for teaching basic organic laboratory techniques (recrystallization, thin-layer chromatography, column chromatography, vacuum filtration, and melting point determination) to large classes of introductory organic chemistry students. Students are exposed to different…

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

Science.gov (United States)

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

2015-01-01

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

Unexpected crystallization patterns of zinc boron imidazolate framework ZBIF-1: NMR crystallography of integrated metal-organic frameworks

Czech Academy of Sciences Publication Activity Database

Kobera, Libor; Rohlíček, Jan; Czernek, Jiří; Abbrent, Sabina; Strečková, M.; Sopčák, T.; Brus, Jiří

2017-01-01

Roč. 18, č. 24 (2017), s. 3576-3582 ISSN 1439-4235 R&D Projects: GA ČR(CZ) GA16-04109S; GA ČR(CZ) GA16-13778S Institutional support: RVO:61389013 ; RVO:68378271 Keywords : density functional calculations * metal-organic frameworks * NMR spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry; CF - Physical ; Theoretical Chemistry (FZU-D) OBOR OECD: Physical chemistry; Physical chemistry (FZU-D) Impact factor: 3.075, year: 2016

Organic radiation chemistry--the present state and problems

International Nuclear Information System (INIS)

Sareava, V.V.; Kalyazin, E.P.

1985-01-01

The authors pose the principal problems to be solved in organic radiation chemistry: 1) to derive from the structural formula of a given organic compound the composition of the products from its radiolysis under standard conditions; 2) to use a number of physicochemical properties of a given compound at the molecular and material levels to predict the variation in composition and fraction of products from the radiolysis of the compounds with a change in irradiation conditions, i.e., the parameters of the acting radiation and the state of the substance, to indicate the direction of the principal radiation chemical processes in complex mixtures of natural or technical origin. Having stated the problems, the authors attempt to show the level of understanding of the radiolysis of organic compounds, using aliphatic hydrocarbons as principal discussion subjects

Organic Chemistry and the Native Plants of the Sonoran Desert: Conversion of Jojoba Oil to Biodiesel

Science.gov (United States)

Daconta, Lisa V.; Minger, Timothy; Nedelkova, Valentina; Zikopoulos, John N.

2015-01-01

A new, general approach to the organic chemistry laboratory is introduced that is based on learning about organic chemistry techniques and research methods by exploring the natural products found in local native plants. As an example of this approach for the Sonoran desert region, the extraction of jojoba oil and its transesterification to…

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

Science.gov (United States)

Sievertsen, Niels; Carreira, Erick M

2018-02-01

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

Green analytical chemistry - the use of surfactants as a replacement of organic solvents in spectroscopy

Science.gov (United States)

Pharr, Daniel Y.

2017-07-01

This chapter gives an introduction to the many practical uses of surfactants in analytical chemistry in replacing organic solvents to achieve greener chemistry. Taking a holistic approach, it covers some background of surfactants as chemical solvents, their properties and as green chemicals, including their environmental effects. The achievements of green analytical chemistry with micellar systems are reviewed in all the major areas of analytical chemistry where these reagents have been found to be useful.

3D-printed devices for continuous-flow organic chemistry.

Science.gov (United States)

Dragone, Vincenza; Sans, Victor; Rosnes, Mali H; Kitson, Philip J; Cronin, Leroy

2013-01-01

We present a study in which the versatility of 3D-printing is combined with the processing advantages of flow chemistry for the synthesis of organic compounds. Robust and inexpensive 3D-printed reactionware devices are easily connected using standard fittings resulting in complex, custom-made flow systems, including multiple reactors in a series with in-line, real-time analysis using an ATR-IR flow cell. As a proof of concept, we utilized two types of organic reactions, imine syntheses and imine reductions, to show how different reactor configurations and substrates give different products.

Dragonfly: In Situ Exploration of Titan's Organic Chemistry and Habitability

Science.gov (United States)

Turtle, E. P.; Barnes, J. W.; Trainer, M. G.; Lorenz, R. D.

2017-12-01

Titan's abundant complex carbon-rich chemistry, interior ocean, and past presence of liquid water on the surface make it an ideal destination to study prebiotic chemical processes and document the habitability of an extraterrestrial environment. Titan exploration is a high science priority due to the level of organic synthesis that it supports. Moreover, opportunities for organics to have interacted with liquid water at the surface (e.g., in impact melt sheets) increase the potential for chemical processes to progress further, providing an unparalleled opportunity to investigate prebiotic chemistry, as well as to search for signatures of potential water-based or even hydrocarbon-based life. The diversity of Titan's surface materials and environments drives the scientific need to be able to sample a variety of locations, thus mobility is key for in situ measurements. Titan's atmosphere is 4 times denser than Earth's reducing the wing/rotor area required to generate a given amount of lift, and the low gravity reduces the required magnitude of lift, making heavier-than-air mobility highly efficient. Dragonfly is a rotorcraft lander mission proposed to NASA's New Frontiers Program to take advantage of Titan's unique natural laboratory to understand how far chemistry can progress in environments that provide key ingredients for life. Measuring the compositions of materials in different environments will reveal how far organic chemistry has progressed. Surface material can be sampled into a mass spectrometer to identify the chemical components available and processes at work to produce biologically relevant compounds. Bulk elemental surface composition can be determined by a neutron-activated gamma-ray spectrometer. Meteorology measurements can characterize Titan's atmosphere and diurnal and spatial variations therein. Geologic features can be characterized via remote-sensing observations, which also provide context for samples. Seismic sensing can probe subsurface

Aqueous organic chemistry in the atmosphere: sources and chemical processing of organic aerosols.

Science.gov (United States)

McNeill, V Faye

2015-02-03

Over the past decade, it has become clear that aqueous chemical processes occurring in cloud droplets and wet atmospheric particles are an important source of organic atmospheric particulate matter. Reactions of water-soluble volatile (or semivolatile) organic gases (VOCs or SVOCs) in these aqueous media lead to the formation of highly oxidized organic particulate matter (secondary organic aerosol; SOA) and key tracer species, such as organosulfates. These processes are often driven by a combination of anthropogenic and biogenic emissions, and therefore their accurate representation in models is important for effective air quality management. Despite considerable progress, mechanistic understanding of some key aqueous processes is still lacking, and these pathways are incompletely represented in 3D atmospheric chemistry and air quality models. In this article, the concepts, historical context, and current state of the science of aqueous pathways of SOA formation are discussed.

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

Science.gov (United States)

Lehn, Jean-Marie

2012-01-01

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

The Theoretical Principles of the Organization of Information Systems.

Science.gov (United States)

Kulikowski, Juliusz Lech

A survey of the theoretical problems connected with the organization and design of systems for processing and transmitting information is presented in this article. It gives a definition of Information Systems (IS) and classifies them from various points of view. It discusses briefly the most important aspects of the organization of IS, such as…

Electron tunneling in chemistry

International Nuclear Information System (INIS)

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

1985-01-01

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

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

International Nuclear Information System (INIS)

Ryan, R.R.

1982-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1982-05-01

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

Designing Porphyrinic Covalent Organic Frameworks for the Photodynamic Inactivation of Bacteria

Czech Academy of Sciences Publication Activity Database

Hynek, Jan; Zelenka, J.; Rathouský, Jiří; Kubát, Pavel; Ruml, T.; Demel, Jan; Lang, Kamil

2018-01-01

Roč. 10, č. 10 (2018), s. 8527-8535 ISSN 1944-8244 R&D Projects: GA ČR(CZ) GA16-15020S Institutional support: RVO:61388980 ; RVO:61388955 Keywords : antibacterial coating * biofilm * covalent organic framework * photodynamic * porphyrin * singlet oxygen Subject RIV: CA - Inorganic Chemistry; CF - Physical ; Theoretical Chemistry (UFCH-W) OBOR OECD: Inorganic and nuclear chemistry; Physical chemistry (UFCH-W) Impact factor: 7.504, year: 2016

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

Science.gov (United States)

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

2015-01-01

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

Organic Chemistry Masterclasses

Indian Academy of Sciences (India)

of Science Education that is published monthly by the Academy since January 1996. ...... Modern chemistry is also emerging from molecules derived from the .... photochemical reactions, the traditional correlation diagram approach is more ...

Solvent-Free Wittig Reaction: A Green Organic Chemistry Laboratory Experiment

Science.gov (United States)

Leung, Sam H.; Angel, Stephen A.

2004-01-01

Some Wittig reactions can be carried out by grinding the reactants in a mortar with a pestle for about 20 minutes, as per investigation. A laboratory experiment involving a solvent-free Wittig reaction that can be completed in a three-hour sophomore organic chemistry laboratory class period, are developed.

A Research Module for the Organic Chemistry Laboratory: Multistep Synthesis of a Fluorous Dye Molecule.

Science.gov (United States)

Slade, Michael C; Raker, Jeffrey R; Kobilka, Brandon; Pohl, Nicola L B

2014-01-14

A multi-session research-like module has been developed for use in the undergraduate organic teaching laboratory curriculum. Students are tasked with planning and executing the synthesis of a novel fluorous dye molecule and using it to explore a fluorous affinity chromatography separation technique, which is the first implementation of this technique in a teaching laboratory. Key elements of the project include gradually introducing students to the use of the chemical literature to facilitate their searching, as well as deliberate constraints designed to force them to think critically about reaction design and optimization in organic chemistry. The project also introduces students to some advanced laboratory practices such as Schlenk techniques, degassing of reaction mixtures, affinity chromatography, and microwave-assisted chemistry. This provides students a teaching laboratory experience that closely mirrors authentic synthetic organic chemistry practice in laboratories throughout the world.

The chemistry of separations ligand degradation by organic radical cations

International Nuclear Information System (INIS)

Mezyk, S.P.; Horne, G.P.; Mincher, B.J.; Zalupski, P.R.; Cook, A.R.; Wishart, J.F.

2016-01-01

Solvent based extractions of used nuclear fuel use designer ligands in an organic phase extracting ligand complexed metal ions from an acidic aqueous phase. These extractions will be performed in highly radioactive environments, and the radiation chemistry of all these complexing agents and their diluents will play a major role in determining extraction efficiency, separation factors, and solvent-recycle longevity. Although there has been considerable effort in investigating ligand damage occurring in acidic water radiolysis conditions, only minimal fundamental kinetic and mechanistic data has been reported for the degradation of extraction ligands in the organic phase. Extraction solvent phases typically use normal alkanes such as dodecane, TPH, and kerosene as diluents. The radiolysis of such diluents produce a mixture of radical cations (R"."+), carbon-centered radicals (R".), solvated electrons, and molecular products such as hydrogen. Typically, the radical species will preferentially react with the dissolved oxygen present to produce relatively inert peroxyl radicals. This isolates the alkane radical cation species, R"."+ as the major radiolytically-induced organic species that can react with, and degrade, extraction agents in this phase. Here we report on our recent studies of organic radical cation reactions with 2 ligands: CMPO and TODGA. Elucidating these parameters, and combining them with the known acidic aqueous phase chemistry, will allow a full, fundamental, understanding of the impact of radiation on solvent extraction based separation processes to be achieved. (authors)

#IHeartChemistryNCSU: Free Choice, Content, and Elements of Science Communication as the Framework for an Introductory Organic Chemistry Project

Science.gov (United States)

Frohock, Bram H.; Winterrowd, Samantha T.; Gallardo-Williams, Maria T.

2018-01-01

Students in a large introductory organic chemistry class were given the freedom to choose an organic compound of interest and were challenged to develop an educational object (physical or digital) designed to be shared with the broader public via social media. Analysis of the project results shows that most students appreciated the open nature of…

Separating the effects of organic matter-mineral interactions and organic matter chemistry on the sorption of diuron and phenanthrene.

Science.gov (United States)

Ahangar, Ahmad Gholamalizadeh; Smernik, Ronald J; Kookana, Rai S; Chittleborough, David J

2008-06-01

Even though it is well established that soil C content is the primary determinant of the sorption affinity of soils for non-ionic compounds, it is also clear that organic carbon-normalized sorption coefficients (K(OC)) vary considerably between soils. Two factors that may contribute to K(OC) variability are variations in organic matter chemistry between soils and interactions between organic matter and soil minerals. Here, we quantify these effects for two non-ionic sorbates-diuron and phenanthrene. The effect of organic matter-mineral interactions were evaluated by comparing K(OC) for demineralized (HF-treated) soils, with K(OC) for the corresponding whole soils. For diuron and phenanthrene, average ratios of K(OC) of the HF-treated soils to K(OC) of the whole soils were 2.5 and 2.3, respectively, indicating a substantial depression of K(OC) due to the presence of minerals in the whole soils. The effect of organic matter chemistry was determined by correlating K(OC) against distributions of C types determined using solid-state (13)C NMR spectroscopy. For diuron, K(OC) was positively correlated with aryl C and negatively correlated with O-alkyl C, for both whole and HF-treated soils, whereas for phenanthrene, these correlations were only present for the HF-treated soils. We suggest that the lack of a clear effect of organic matter chemistry on whole soil K(OC) for phenanthrene is due to an over-riding influence of organic matter-mineral interactions in this case. This hypothesis is supported by a correlation between the increase in K(OC) on HF-treatment and the soil clay content for phenanthrene, but not for diuron.

3D-printed devices for continuous-flow organic chemistry

Directory of Open Access Journals (Sweden)

Vincenza Dragone

2013-05-01

Full Text Available We present a study in which the versatility of 3D-printing is combined with the processing advantages of flow chemistry for the synthesis of organic compounds. Robust and inexpensive 3D-printed reactionware devices are easily connected using standard fittings resulting in complex, custom-made flow systems, including multiple reactors in a series with in-line, real-time analysis using an ATR-IR flow cell. As a proof of concept, we utilized two types of organic reactions, imine syntheses and imine reductions, to show how different reactor configurations and substrates give different products.

Improvements to the treatment of organic nitrogen chemistry & deposition in CMAQ

Science.gov (United States)

Excess atmospheric nitrogen deposition can cause significant harmful effects to ecosystems. Organic nitrogen deposition can be an important contributor to the total nitrogen budget, contributing 10-30%, however there are large uncertainties in the chemistry and deposition of thes...

Surface organization of aqueous MgCl2 and application to atmospheric marine aerosol chemistry

Czech Academy of Sciences Publication Activity Database

Casillas-Ituarte, N. N.; Callahan, K. M.; Tang, CH. Y.; Chen, X.; Roeselová, Martina; Tobias, D. J.; Allen, H. C.

2010-01-01

Roč. 107, č. 15 (2010), s. 6616-6621 ISSN 0027-8424 R&D Projects: GA MŠk LC512; GA MŠk ME09064 Institutional research plan: CEZ:AV0Z40550506 Keywords : magnesium chloride * fatty acid * air/aqueous interface Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 9.771, year: 2010

Physical chemistry and the environment

International Nuclear Information System (INIS)

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

1994-08-01

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

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

Science.gov (United States)

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

2013-12-17

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

Biocatalysis in organic chemistry and biotechnology: past, present, and future.

Science.gov (United States)

Reetz, Manfred T

2013-08-28

Enzymes as catalysts in synthetic organic chemistry gained importance in the latter half of the 20th century, but nevertheless suffered from two major limitations. First, many enzymes were not accessible in large enough quantities for practical applications. The advent of recombinant DNA technology changed this dramatically in the late 1970s. Second, many enzymes showed a narrow substrate scope, often poor stereo- and/or regioselectivity and/or insufficient stability under operating conditions. With the development of directed evolution beginning in the 1990s and continuing to the present day, all of these problems can be addressed and generally solved. The present Perspective focuses on these and other developments which have popularized enzymes as part of the toolkit of synthetic organic chemists and biotechnologists. Included is a discussion of the scope and limitation of cascade reactions using enzyme mixtures in vitro and of metabolic engineering of pathways in cells as factories for the production of simple compounds such as biofuels and complex natural products. Future trends and problems are also highlighted, as is the discussion concerning biocatalysis versus nonbiological catalysis in synthetic organic chemistry. This Perspective does not constitute a comprehensive review, and therefore the author apologizes to those researchers whose work is not specifically treated here.

Size distribution dynamics reveal particle-phase chemistry in organic aerosol formation

Science.gov (United States)

Shiraiwa, Manabu; Yee, Lindsay D.; Schilling, Katherine A.; Loza, Christine L.; Craven, Jill S.; Zuend, Andreas; Ziemann, Paul J.; Seinfeld, John H.

2013-01-01

Organic aerosols are ubiquitous in the atmosphere and play a central role in climate, air quality, and public health. The aerosol size distribution is key in determining its optical properties and cloud condensation nucleus activity. The dominant portion of organic aerosol is formed through gas-phase oxidation of volatile organic compounds, so-called secondary organic aerosols (SOAs). Typical experimental measurements of SOA formation include total SOA mass and atomic oxygen-to-carbon ratio. These measurements, alone, are generally insufficient to reveal the extent to which condensed-phase reactions occur in conjunction with the multigeneration gas-phase photooxidation. Combining laboratory chamber experiments and kinetic gas-particle modeling for the dodecane SOA system, here we show that the presence of particle-phase chemistry is reflected in the evolution of the SOA size distribution as well as its mass concentration. Particle-phase reactions are predicted to occur mainly at the particle surface, and the reaction products contribute more than half of the SOA mass. Chamber photooxidation with a midexperiment aldehyde injection confirms that heterogeneous reaction of aldehydes with organic hydroperoxides forming peroxyhemiacetals can lead to a large increase in SOA mass. Although experiments need to be conducted with other SOA precursor hydrocarbons, current results demonstrate coupling between particle-phase chemistry and size distribution dynamics in the formation of SOAs, thereby opening up an avenue for analysis of the SOA formation process. PMID:23818634

Size distribution dynamics reveal particle-phase chemistry in organic aerosol formation.

Science.gov (United States)

Shiraiwa, Manabu; Yee, Lindsay D; Schilling, Katherine A; Loza, Christine L; Craven, Jill S; Zuend, Andreas; Ziemann, Paul J; Seinfeld, John H

2013-07-16

Organic aerosols are ubiquitous in the atmosphere and play a central role in climate, air quality, and public health. The aerosol size distribution is key in determining its optical properties and cloud condensation nucleus activity. The dominant portion of organic aerosol is formed through gas-phase oxidation of volatile organic compounds, so-called secondary organic aerosols (SOAs). Typical experimental measurements of SOA formation include total SOA mass and atomic oxygen-to-carbon ratio. These measurements, alone, are generally insufficient to reveal the extent to which condensed-phase reactions occur in conjunction with the multigeneration gas-phase photooxidation. Combining laboratory chamber experiments and kinetic gas-particle modeling for the dodecane SOA system, here we show that the presence of particle-phase chemistry is reflected in the evolution of the SOA size distribution as well as its mass concentration. Particle-phase reactions are predicted to occur mainly at the particle surface, and the reaction products contribute more than half of the SOA mass. Chamber photooxidation with a midexperiment aldehyde injection confirms that heterogeneous reaction of aldehydes with organic hydroperoxides forming peroxyhemiacetals can lead to a large increase in SOA mass. Although experiments need to be conducted with other SOA precursor hydrocarbons, current results demonstrate coupling between particle-phase chemistry and size distribution dynamics in the formation of SOAs, thereby opening up an avenue for analysis of the SOA formation process.

Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery.

Science.gov (United States)

Therrien, Eric; Englebienne, Pablo; Arrowsmith, Andrew G; Mendoza-Sanchez, Rodrigo; Corbeil, Christopher R; Weill, Nathanael; Campagna-Slater, Valérie; Moitessier, Nicolas

2012-01-23

As part of a large medicinal chemistry program, we wish to develop novel selective estrogen receptor modulators (SERMs) as potential breast cancer treatments using a combination of experimental and computational approaches. However, one of the remaining difficulties nowadays is to fully integrate computational (i.e., virtual, theoretical) and medicinal (i.e., experimental, intuitive) chemistry to take advantage of the full potential of both. For this purpose, we have developed a Web-based platform, Forecaster, and a number of programs (e.g., Prepare, React, Select) with the aim of combining computational chemistry and medicinal chemistry expertise to facilitate drug discovery and development and more specifically to integrate synthesis into computer-aided drug design. In our quest for potent SERMs, this platform was used to build virtual combinatorial libraries, filter and extract a highly diverse library from the NCI database, and dock them to the estrogen receptor (ER), with all of these steps being fully automated by computational chemists for use by medicinal chemists. As a result, virtual screening of a diverse library seeded with active compounds followed by a search for analogs yielded an enrichment factor of 129, with 98% of the seeded active compounds recovered, while the screening of a designed virtual combinatorial library including known actives yielded an area under the receiver operating characteristic (AU-ROC) of 0.78. The lead optimization proved less successful, further demonstrating the challenge to simulate structure activity relationship studies.

Organic compounds in fluid inclusions of Archean quartz-Analogues of prebiotic chemistry on early Earth.

Science.gov (United States)

Schreiber, Ulrich; Mayer, Christian; Schmitz, Oliver J; Rosendahl, Pia; Bronja, Amela; Greule, Markus; Keppler, Frank; Mulder, Ines; Sattler, Tobias; Schöler, Heinz F

2017-01-01

The origin of life is still an unsolved mystery in science. Hypothetically, prebiotic chemistry and the formation of protocells may have evolved in the hydrothermal environment of tectonic fault zones in the upper continental crust, an environment where sensitive molecules are protected against degradation induced e.g. by UV radiation. The composition of fluid inclusions in minerals such as quartz crystals which have grown in this environment during the Archean period might provide important information about the first organic molecules formed by hydrothermal synthesis. Here we present evidence for organic compounds which were preserved in fluid inclusions of Archean quartz minerals from Western Australia. We found a variety of organic compounds such as alkanes, halocarbons, alcohols and aldehydes which unambiguously show that simple and even more complex prebiotic organic molecules have been formed by hydrothermal processes. Stable-isotope analysis confirms that the methane found in the inclusions has most likely been formed from abiotic sources by hydrothermal chemistry. Obviously, the liquid phase in the continental Archean crust provided an interesting choice of functional organic molecules. We conclude that organic substances such as these could have made an important contribution to prebiotic chemistry which might eventually have led to the formation of living cells.

Linking the Lab Experience with Everyday Life: An Analytical Chemistry Experiment for Agronomy Students

Science.gov (United States)

Gimenez, Sônia Maria N.; Yabe, Maria Josefa S.; Kondo, Neide K.; Mouriño, Rodrigo O.; Moura, Graziela Cristina R.

2000-02-01

Agronomy students generally lack interest in chemistry. The objective of this work was to modify the analytical chemistry curriculum to increase student interest. Samples of soils and plants prepared by students were introduced. Soil was treated with molasses residue, organic matter (chicken manure and humus obtained from goat excrement), and lime. The response of plants to the different soil treatments increased student interest in chemical analyses. Evaluation of several chemical and physicochemical parameters of samples demonstrated in a clear way the application of the theoretical and practical concepts of chemistry.

Microwave Assisted Organic Synthesis of Heterocycles in Aqueous Media: Recent Advances in Medicinal Chemistry.

Science.gov (United States)

Frecentese, Francesco; Saccone, Irene; Caliendo, Giuseppe; Corvino, Angela; Fiorino, Ferdinando; Magli, Elisa; Perissutti, Elisa; Severino, Beatrice; Santagada, Vincenzo

2016-01-01

Green chemistry is a discipline of great interest in medicinal chemistry. It involves all fields of chemistry and it is based on the principle to conduct chemical reactions protecting the environment at the same time, through the use of chemical procedures able to avoid pollution. In this context, water as solvent is a good choice because it is abundant, nontoxic, non-caustic, and non-combustible. Even if microwave assisted organic reactions in conventional solvents have quickly progressed, in the recent years medicinal chemists have focused their attention to processes deemed not dangerous for the environment, using nanotechnology and greener solvents as water. Several reports of reaction optimizations and selectivities, demonstrating the capability of microwave to allow the obtaining of increased yields have been recently published using water as solvent. In this review, we selected the available knowledge related to microwave assisted organic synthesis in aqueous medium, furnishing examples of the newest strategies to obtain useful scaffolds and novel derivatives for medicinal chemistry purposes. The intention of this review is to demonstrate the exclusive ability of MAOS in water as solvent or as co-solvent. For this purpose we report here the most representative applications of MAOS using water as solvent, focusing on medicinal chemistry processes leading to interesting nitrogen containing heterocycles with potential pharmaceutical applications.

Perry's Scheme of Intellectual and Epistemological Development as a Framework for Describing Student Difficulties in Learning Organic Chemistry

Science.gov (United States)

Grove, Nathaniel P.; Bretz, Stacey Lowery

2010-01-01

We have investigated student difficulties with the learning of organic chemistry. Using Perry's Model of Intellectual Development as a framework revealed that organic chemistry students who function as dualistic thinkers struggle with the complexity of the subject matter. Understanding substitution/elimination reactions and multi-step syntheses is…

The chemistry of separations ligand degradation by organic radical cations

Energy Technology Data Exchange (ETDEWEB)

Mezyk, S.P.; Horne, G.P. [California State University at Long Beach, Long Beach, CA 90840 (United States); Mincher, B.J.; Zalupski, P.R. [Idaho National Laboratory, Idaho Falls, ID 83415 (United States); Cook, A.R.; Wishart, J.F. [Chemistry Department, Brookhaven National Laboratory, New York, 11973 (United States)

2016-07-01

Solvent based extractions of used nuclear fuel use designer ligands in an organic phase extracting ligand complexed metal ions from an acidic aqueous phase. These extractions will be performed in highly radioactive environments, and the radiation chemistry of all these complexing agents and their diluents will play a major role in determining extraction efficiency, separation factors, and solvent-recycle longevity. Although there has been considerable effort in investigating ligand damage occurring in acidic water radiolysis conditions, only minimal fundamental kinetic and mechanistic data has been reported for the degradation of extraction ligands in the organic phase. Extraction solvent phases typically use normal alkanes such as dodecane, TPH, and kerosene as diluents. The radiolysis of such diluents produce a mixture of radical cations (R{sup .+}), carbon-centered radicals (R{sup .}), solvated electrons, and molecular products such as hydrogen. Typically, the radical species will preferentially react with the dissolved oxygen present to produce relatively inert peroxyl radicals. This isolates the alkane radical cation species, R{sup .+} as the major radiolytically-induced organic species that can react with, and degrade, extraction agents in this phase. Here we report on our recent studies of organic radical cation reactions with 2 ligands: CMPO and TODGA. Elucidating these parameters, and combining them with the known acidic aqueous phase chemistry, will allow a full, fundamental, understanding of the impact of radiation on solvent extraction based separation processes to be achieved. (authors)

Engaging Organic Chemistry Students Using ChemDraw for iPad

Science.gov (United States)

Morsch, Layne A.; Lewis, Michael

2015-01-01

Drawing structures, mechanisms, and syntheses is a vital part of success in organic chemistry courses. ChemDraw for iPad has been used to increase classroom experiences in the preparation of high quality chemical drawings. The embedded Flick-to-Share allows for simple, real-time exchange of ChemDraw documents. ChemDraw for iPad also allows…

The chemistry of cyborgs--interfacing technical devices with organisms.

Science.gov (United States)

Giselbrecht, Stefan; Rapp, Bastian E; Niemeyer, Christof M

2013-12-23

The term "cyborg" refers to a cybernetic organism, which characterizes the chimera of a living organism and a machine. Owing to the widespread application of intracorporeal medical devices, cyborgs are no longer exclusively a subject of science fiction novels, but technically they already exist in our society. In this review, we briefly summarize the development of modern prosthetics and the evolution of brain-machine interfaces, and discuss the latest technical developments of implantable devices, in particular, biocompatible integrated electronics and microfluidics used for communication and control of living organisms. Recent examples of animal cyborgs and their relevance to fundamental and applied biomedical research and bioethics in this novel and exciting field at the crossroads of chemistry, biomedicine, and the engineering sciences are presented. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Titanocene sulfide chemistry

Czech Academy of Sciences Publication Activity Database

Horáček, Michal

2016-01-01

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

High Energy Radical Chemistry Formation of HCN- rich Atmospheres on early Earth

Czech Academy of Sciences Publication Activity Database

Ferus, Martin; Kubelík, Petr; Knížek, Antonín; Pastorek, Adam; Sutherland, J.D.; Civiš, Svatopluk

2017-01-01

Roč. 7, č. 1 (2017), č. článku 6275. ISSN 2045-2322 R&D Projects: GA ČR GA17-05076S; GA MŠk(CZ) LM2015083; GA MŠk LG15013 Grant - others:Akademie věd - GA AV ČR(CZ) R200401521 Institutional support: RVO:61388955 Keywords : high-power laser * transform emission-spectroscopy * induced dielectric-breakdown * prebiotic organic-synthesis * nucleobase formation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.259, year: 2016

Intermediate-energy nuclear chemistry workshop

International Nuclear Information System (INIS)

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

1981-05-01

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

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.

1981-05-01

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.

Benefits of Using a Problem-Solving Scaffold for Teaching and Learning Synthesis in Undergraduate Organic Chemistry I

Science.gov (United States)

Sloop, Joseph C.; Tsoi, Mai Yin; Coppock, Patrick

2016-01-01

A problem-solving scaffold approach to synthesis was developed and implemented in two intervention sections of Chemistry 2211K (Organic Chemistry I) at Georgia Gwinnett College (GGC). A third section of Chemistry 2211K at GGC served as the control group for the experiment. Synthesis problems for chapter quizzes and the final examination were…

Structural material anomaly detection system using water chemistry data

International Nuclear Information System (INIS)

Asakura, Yamato; Nagase, Makoto; Uchida, Shunsuke; Ohsumi, Katsumi.

1992-01-01

The concept of an advanced water chemistry diagnosis system for detection of anomalies and preventive maintenance of system components is proposed and put into a concrete form. Using the analogy to a medical inspection system, analyses of water chemistry change will make it possible to detect symptoms of anomalies in system components. Then, correlations between water chemistry change and anomaly occurrence in the components of the BWR primary cooling system are analyzed theoretically. These fragmentary correlations are organized and reduced to an algorithm for the on-line diagnosis system using on-line monitoring data, pH and conductivity. By using actual plant data, the on-line diagnosis model system is verified to be applicable for early and automatic finding of the anomaly cause and for timely supply of much diagnostic information to plant operators. (author)

Improvements to the characterization of organic nitrogen chemistry and deposition in CMAQ

Science.gov (United States)

Excess atmospheric nitrogen deposition can cause significant harmful effects to ecosystems. Organic nitrogen deposition can be an important contributor to the total nitrogen budget, contributing 10-30%, however there are large uncertainties in the chemistry and deposition of thes...

Prediction and theoretical characterization of p-type organic semiconductor crystals for field-effect transistor applications.

Science.gov (United States)

Atahan-Evrenk, Sule; Aspuru-Guzik, Alán

2014-01-01

The theoretical prediction and characterization of the solid-state structure of organic semiconductors has tremendous potential for the discovery of new high performance materials. To date, the theoretical analysis mostly relied on the availability of crystal structures obtained through X-ray diffraction. However, the theoretical prediction of the crystal structures of organic semiconductor molecules remains a challenge. This review highlights some of the recent advances in the determination of structure-property relationships of the known organic semiconductor single-crystals and summarizes a few available studies on the prediction of the crystal structures of p-type organic semiconductors for transistor applications.

Formation of modern theoretical regulations about organization concerning management development

Directory of Open Access Journals (Sweden)

Zhalinska I.V.

2017-03-01

Full Text Available The article deals with the scientific concepts about an organization as the entity of management concerning management development. The author studies the principal theoretical regulations about an organization within the most spread schools of management and context of development of other managerial concepts in particular, strategic management. It is found out that an organization and its development had not considered as the factor of an effective activity before. Researches paid their attention to single aspects of organization activity where the aspects allowed to increase economic efficiency. However, the objective complication of conditions of enterprises’ activities caused the necessity of scientific research of adequate models of functioning and development of organizations, which currently cannot be provided by traditional management concepts. Thus, theoretical and practical prerequisites arise for a separate scientific set of researches within the science of management such as the theory of an organization. The article describes the main classified approaches to the models of an organization. The paper researches the challenges in present management, and those ones, which have caused the crisis in modern management. It is singled out the following actual aspects of modern organizational processes as the all-round use of modern information and computer systems, the development of integration and in cooperation in management, the appearance of new management technologies, the use of new assessment criteria for organization activity, striving for organizational shifts and innovations. Due to the generalization of the study results, the authors single out such key aspects in the development of the science of management, as the crisis of traditional management influences upon practical activity of modern organizations; the achievements of traditional management schools are becoming necessary, but not determinant factors of organization

Connecting biology and organic chemistry introductory laboratory courses through a collaborative research project.

Science.gov (United States)

Boltax, Ariana L; Armanious, Stephanie; Kosinski-Collins, Melissa S; Pontrello, Jason K

2015-01-01

Modern research often requires collaboration of experts in fields, such as math, chemistry, biology, physics, and computer science to develop unique solutions to common problems. Traditional introductory undergraduate laboratory curricula in the sciences often do not emphasize connections possible between the various disciplines. We designed an interdisciplinary, medically relevant, project intended to help students see connections between chemistry and biology. Second term organic chemistry laboratory students designed and synthesized potential polymer inhibitors or inducers of polyglutamine protein aggregation. The use of novel target compounds added the uncertainty of scientific research to the project. Biology laboratory students then tested the novel potential pharmaceuticals in Huntington's disease model assays, using in vitro polyglutamine peptide aggregation and in vivo lethality studies in Drosophila. Students read articles from the primary literature describing the system from both chemical and biological perspectives. Assessment revealed that students emerged from both courses with a deeper understanding of the interdisciplinary nature of biology and chemistry and a heightened interest in basic research. The design of this collaborative project for introductory biology and organic chemistry labs demonstrated how the local interests and expertise at a university can be drawn from to create an effective way to integrate these introductory courses. Rather than simply presenting a series of experiments to be replicated, we hope that our efforts will inspire other scientists to think about how some aspect of authentic work can be brought into their own courses, and we also welcome additional collaborations to extend the scope of the scientific exploration. © 2015 The International Union of Biochemistry and Molecular Biology.

Providing Students with Interdisciplinary Support to Improve Their Organic Chemistry Posters

Science.gov (United States)

Widanski, Bozena; Thompson, Jo Ann; Foran-Mulcahy, Katie; Abafo, Amy

2016-01-01

A two-semester-long interdisciplinary support effort to improve student posters in organic chemistry lab is described. In the first semester, students' literature search report is supported by a workshop conducted by an Instruction Librarian. During the subsequent semester, a second workshop is presented by the Instruction Librarian, an English…

Chemistry of Stable Carbenes and «Green» Technologies

Directory of Open Access Journals (Sweden)

Korotkikh, N.I.

2015-11-01

Full Text Available Brief analysis of fundamental research in the chemistry of stable carbenes and applications in the field of «green» chemistry on their basis carried out at the L.M. Litvinenko Institute of Physical Organic & Coal Chemistry of NAS of Ukraine over the last decade is given. Carbene versions of ester Claisen condensation to form zwitterionic compounds, the Leuckart-Wallach reaction with the autoreduction of carbenoid azolium salts, Hofmann cleavage of aminocarbene insertion products, an induced tandem autotransformation of 1,2,4-triazol-5-ylidenes into 5-amidino-1,2,4-triazoles were found. New carbene reactions of ad dition, deesterification, oxidation and complexation were revealed. Effective methods of obtaining stable carbenes and carbenoids were suggested. New types of carbenes, namely benzimidazolylidenes, superstable conjugated biscarbenes and new types of carbenoids were synthesized. The existence of hypernucleophilic carbenes was theoretically predicted and experimentally confirmed. The prospects of the use of carbenes and their derivatives, in particular, carbene complexes of transition metals in catalysis of organic reactions and the search of biologically active compounds were shown.

Analysis of a Natural Yellow Dye: An Experiment for Analytical Organic Chemistry

NARCIS (Netherlands)

Villela, A.; Derksen, G.C.H.; Beek, van T.A.

2014-01-01

This experiment exposes second-year undergraduate students taking a course in analytical organic chemistry to high-performance liquid chromatography (HPLC) and quantitative analysis using the internal standard method. This is accomplished using the real-world application of natural dyes for

Synthesis and Characterization of Calixarene Tetraethers: An Exercise in Supramolecular Chemistry for the Undergraduate Organic Laboratory

Science.gov (United States)

Debbert, Stefan L.; Hoh, Bradley D.; Dulak, David J.

2016-01-01

In this experiment for an introductory undergraduate organic chemistry lab, students tetraalkylate tertbutylcalix[4]arene, a bowl-shaped macrocyclic oligophenol, and examine the supramolecular chemistry of the tetraether product by proton nuclear magnetic resonance (NMR) spectroscopy. Complexation with a sodium ion reduces the conformational…

Students' Interpretations of Mechanistic Language in Organic Chemistry before Learning Reactions

Science.gov (United States)

Galloway, Kelli R.; Stoyanovich, Carlee; Flynn, Alison B.

2017-01-01

Research on mechanistic thinking in organic chemistry has shown that students attribute little meaning to the electron-pushing (i.e., curved arrow) formalism. At the University of Ottawa, a new curriculum has been developed in which students are taught the electron-pushing formalism prior to instruction on specific reactions--this formalism is…

Microwave-Assisted Chemistry: Synthetic Applications for Rapid Assembly of Nanomaterials and Organics

Science.gov (United States)

The magic of microwave (MW) heating technique, termed as the Bunsen burner of the 21th Century, has emerged as valuable alternative in synthesis of organics, polymers, inorganics, and nanomaterials. Important innovations in MW-assisted chemistry now enable chemists to prepare cat...

Spectroscopy 101: A Practical Introduction to Spectroscopy and Analysis for Undergraduate Organic Chemistry Laboratories

Science.gov (United States)

Morrill, Lucas A.; Kammeyer, Jacquelin K.; Garg, Neil K.

2017-01-01

An undergraduate organic chemistry laboratory that provides an introduction to various spectroscopic techniques is reported. Whereas organic spectroscopy is most often learned and practiced in the context of reaction analyses, this laboratory experiment allows students to become comfortable with [superscript 1]H NMR, [superscript 13]C NMR, and IR…

Implementation of picoSpin Benchtop NMR Instruments into Organic Chemistry Teaching Laboratories through Spectral Analysis of Fischer Esterification Products

Science.gov (United States)

Yearty, Kasey L.; Sharp, Joseph T.; Meehan, Emma K.; Wallace, Doyle R.; Jackson, Douglas M.; Morrison, Richard W.

2017-01-01

[Superscript 1]H NMR analysis is an important analytical technique presented in introductory organic chemistry courses. NMR instrument access is limited for undergraduate organic chemistry students due to the size of the instrument, price of NMR solvents, and the maintenance level required for instrument upkeep. The University of Georgia Chemistry…

Mukilteo water sensor time series - Field work coupling measurements of carbon chemistry and distribution of free-living organisms

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — To estimate the carbon chemistry conditions experienced by free-living organisms, we will conduct coupled biological/carbon chemistry sampling for key zooplankton...

Using Biocatalysis to Integrate Organic Chemistry into a Molecular Biology Laboratory Course

Science.gov (United States)

Beers, Mande; Archer, Crystal; Feske, Brent D.; Mateer, Scott C.

2012-01-01

Current cutting-edge biomedical investigation requires that the researcher have an operational understanding of several diverse disciplines. Biocatalysis is a field of science that operates at the crossroads of organic chemistry, biochemistry, microbiology, and molecular biology, and provides an excellent model for interdisciplinary research. We…

Cross-Course Collaboration in the Undergraduate Chemistry Curriculum: Isotopic Labeling with Sodium Borodeuteride in the Introductory Organic Chemistry Laboratory

Science.gov (United States)

Kjonaas, Richard A.; Fitch, Richard W.; Noll, Robert J.

2017-01-01

A microscale isotopic labeling experiment is described for the introductory organic chemistry laboratory course wherein half of the students use sodium borohydride (NaBH[subscript 4]) and the other half use sodium borodeuteride (NaBD[subscript 4]) to reduce acetophenone to 1-phenylethanol and then compare spectral data. The cost is reasonable, and…

Chemistry of complexing molecules and environment. Report of the working group of the Cea ''mission environment''

International Nuclear Information System (INIS)

Petit, J.C.

1998-01-01

The Working group 'Chemistry of Complexing Molecules and Environment' of the Mission Environment (AG/ENV) identified themes for an original positioning of CEA on important issues of environmental research if a sufficiently strong demand appears. The research of CEA on the environment should be complementary to actions undertaken by other partners (official institutions, research organizations and industrial firms). The themes suggested are: the synthesis of new chelating molecules and new materials having specific properties, with the support of theoretical chemistry and modeling, analytical physical chemistry and speciation of species in relation to their eco-toxicity and their biogeochemical mobility in the natural environment. These themes, illustrated by examples of actions in progress at CEA or likely to be launched quickly, draw largely from recognized competences of the teams, generally developed for finalized nuclear applications: experimental, theoretical and instrumental competences. (author)

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

Science.gov (United States)

Springer, Michael T.

2014-01-01

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

Changes in Visual/Spatial and Analytic Strategy Use in Organic Chemistry with the Development of Expertise

Science.gov (United States)

Vlacholia, Maria; Vosniadou, Stella; Roussos, Petros; Salta, Katerina; Kazi, Smaragda; Sigalas, Michael; Tzougraki, Chryssa

2017-01-01

We present two studies that investigated the adoption of visual/spatial and analytic strategies by individuals at different levels of expertise in the area of organic chemistry, using the Visual Analytic Chemistry Task (VACT). The VACT allows the direct detection of analytic strategy use without drawing inferences about underlying mental…

Comparable Educational Benefits in Half the Time: An Alternating Organic Chemistry Laboratory Sequence Targeting Prehealth Students

Science.gov (United States)

Young, Sherri C.; Colabroy, Keri L.; Baar, Marsha R.

2016-01-01

The laboratory is a mainstay in STEM education, promoting the development of critical thinking skills, dexterity, and scientific curiosity. The goals in the laboratory for nonchemistry, prehealth majors, though, could be distinguished from those for chemistry majors. In service courses such as organic chemistry, much laboratory time is often spent…

Piaget and Organic Chemistry: Teaching Introductory Organic Chemistry through Learning Cycles

Science.gov (United States)

Libby, R. Daniel

1995-07-01

This paper describes the first application of the Piaget-based learning cycle technique (Atkin & Karplus, Sci. Teach. 1962, 29, 45-51) to an introductory organic chemistry course. It also presents the step-by-step process used to convert a lecture course into a discussion-based active learning course. The course is taught in a series of learning cycles. A learning cycle is a three phase process that provides opportunities for students to explore new material and work with an instructor to recognize logical patterns in data, and devise and test hypotheses. In this application, the first phase, exploration, involves out-of-class student evaluation of data in attempts to identify significant trends and develop hypotheses that might explain the trends in terms of fundamental scientific principles. In the second phase, concept invention, the students and instructor work together in-class to evaluate student hypotheses and find concepts that work best in explaining the data. The third phase, application, is an out-of-class application of the concept to new situations. The development of learning cycles from lecture notes is presented as an 8 step procedure. The process involves revaluation and restructuring of the course material to maintain a continuity of concept development according to the instructor's logic, dividing topics into individual concepts or techniques, and refocusing the presentation in terms of large numbers of examples that can serve as data for students in their exploration and application activities. A sample learning cycle and suggestions for ways of limited implementation of learning cycles into existing courses are also provided.

The use of domestic microwave oven in experimental classes of organic chemistry: salicylaldehyde nitration

OpenAIRE

Teixeira, Eurídes Francisco; Santos, Ana Paula Bernardo dos; Bastos, Renato Saldanha; Pinto, Angelo C.; Kümmerle, Arthur Eugen; Coelho, Roberto Rodrigues

2010-01-01

The use of microwave in chemistry has known benefits over conventional heating methods, e.g. reduced reaction times, chemical yield improvement and the possibility if reducing or eliminating the use of organic solvents. We describe herein a procedure for the nitration of salicylaldehyde in water using a domestic microwave oven, which can be used as an experiment in the undergraduate chemistry laboratory. The experiment involves safe and rapid preparation and identification of the position iso...

Industrial chemistry engineering

International Nuclear Information System (INIS)

1993-01-01

This book on industrial chemistry engineering is divided in two parts. The first part deals with industrial chemistry, inorganic industrial chemistry, organic industrial chemistry, analytical chemistry and practical questions. The last parts explain the chemical industry, a unit parts and thermodynamics in chemical industry and reference. It reveals the test subjects for the industrial chemistry engineering with a written examination and practical skill.

What are the Limitations of Enzymes in Synthetic Organic Chemistry?

Science.gov (United States)

Reetz, Manfred T

2016-12-01

Enzymes have been used in organic chemistry and biotechnology for 100 years, but their widespread application has been prevented by a number of limitations, including the often-observed limited thermostability, narrow substrate scope, and low or wrong stereo- and/or regioselectivity. Directed evolution provides a means to address and generally solve these problems, especially since recent methodology development has made this protein engineering method faster, more efficient, and more reliable than in the past. This Darwinian approach to asymmetric catalysis has led to a number of industrial applications. Metabolic-pathway engineering, mutasynthesis, and fermentation are likewise enzyme-based techniques that enrich chemistry. This account outlines the scope, and particularly, the limitations, of biocatalysis. The complementary nature of enzymes and man-made catalysts is emphasized. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Minimal Impact of Organic Chemistry Prerequisite on Student Performance in Introductory Biochemistry

Science.gov (United States)

Wright, Robin; Cotner, Sehoya; Winkel, Amy

2009-01-01

Curriculum design assumes that successful completion of prerequisite courses will have a positive impact on student performance in courses that require the prerequisite. We recently had the opportunity to test this assumption concerning the relationship between completion of the organic chemistry prerequisite and performance in introductory…

Benchmarking uranyl peroxide capsule chemistry in organic media

Energy Technology Data Exchange (ETDEWEB)

Neal, Harrison A.; Nyman, May [Department of Chemistry, Oregon State University, Corvallis, OR (United States); Szymanowski, Jennifer; Fein, Jeremy B.; Burns, Peter C. [Department of Civil and Environmental Engineering and Earth Sciences, University of Notre Dame, Notre Dame, IN (United States)

2017-01-03

Uranyl peroxide capsules are a recent addition to polyoxometalate (POM) chemistry. Ten years of development has ensued only in water, while transition metal POMs are commonly exploited in aqueous and organic media, controlled by counterions or ligation to render the clusters hydrophilic or hydrophobic. Here, new uranyl POM behavior is recognized in organic media, including (1) stabilization and immobilization of encapsulated hydrophilic countercations, identified by Li nuclear magnetic resonance (NMR) spectroscopy, (2) formation of new cluster species upon phase transfer, (3) extraction of uranyl clusters from different starting materials including simulated spent nuclear fuel, (4) selective phase transfer of one cluster type from a mixture, and (5) phase transfer of clusters from both acidic and alkaline media. The capsule morphology of the uranyl POMs renders accurate characterization by X-ray scattering, including the distinction of geometrically similar clusters. Compositional analysis of the aqueous phase post-extraction provided a quantitative determination of the ion exchange process that enables transfer of the clusters into the organic phase. Preferential partitioning of uranyl POMs into organic media presents new frontiers in metal ion behavior and chemical reactions in the confined space of the cluster capsules in hydrophobic media, as well as the reactivity of clusters at the organic/aqueous interface. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Benchmarking uranyl peroxide capsule chemistry in organic media

International Nuclear Information System (INIS)

Neal, Harrison A.; Nyman, May; Szymanowski, Jennifer; Fein, Jeremy B.; Burns, Peter C.

2017-01-01

Uranyl peroxide capsules are a recent addition to polyoxometalate (POM) chemistry. Ten years of development has ensued only in water, while transition metal POMs are commonly exploited in aqueous and organic media, controlled by counterions or ligation to render the clusters hydrophilic or hydrophobic. Here, new uranyl POM behavior is recognized in organic media, including (1) stabilization and immobilization of encapsulated hydrophilic countercations, identified by Li nuclear magnetic resonance (NMR) spectroscopy, (2) formation of new cluster species upon phase transfer, (3) extraction of uranyl clusters from different starting materials including simulated spent nuclear fuel, (4) selective phase transfer of one cluster type from a mixture, and (5) phase transfer of clusters from both acidic and alkaline media. The capsule morphology of the uranyl POMs renders accurate characterization by X-ray scattering, including the distinction of geometrically similar clusters. Compositional analysis of the aqueous phase post-extraction provided a quantitative determination of the ion exchange process that enables transfer of the clusters into the organic phase. Preferential partitioning of uranyl POMs into organic media presents new frontiers in metal ion behavior and chemical reactions in the confined space of the cluster capsules in hydrophobic media, as well as the reactivity of clusters at the organic/aqueous interface. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

A Titanium–Organic Framework as an Exemplar of Combining the Chemistry of Metal– and Covalent–Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Ha L.; Gándara, Felipe; Furukawa, Hiroyasu; Doan, Tan L. H.; Cordova, Kyle E.; Yaghi, Omar M.

2016-04-06

A crystalline material with a two-dimensional structure, termed metal–organic framework-901 (MOF-901), was prepared using a strategy that combines the chemistry of MOFs and covalent–organic frameworks (COFs). This strategy involves in situ generation of an amine-functionalized titanium oxo cluster, Ti6O6(OCH3)6(AB)6 (AB = 4-aminobenzoate), which was linked with benzene-1,4-dialdehyde using imine condensation reactions, typical of COFs. The crystal structure of MOF-901 is composed of hexagonal porous layers that are likely stacked in staggered conformation (hxl topology). This MOF represents the first example of combining metal cluster chemistry with dynamic organic covalent bond formation to give a new crystalline, extended framework of titanium metal, which is rarely used in MOFs. The incorporation of Ti(IV) units made MOF-901 useful in the photocatalyzed polymerization of methyl methacrylate (MMA). The resulting polyMMA product was obtained with a high-number-average molar mass (26 850 g mol–1) and low polydispersity index (1.6), which in many respects are better than those achieved by the commercially available photocatalyst (P-25 TiO2). Additionally, the catalyst can be isolated, reused, and recycled with no loss in performance.

The Tip of the Iceberg in Organic Chemistry Classes: How Do Students Deal with the Invisible?

Science.gov (United States)

Graulich, Nicole

2015-01-01

Organic chemistry education is one of the youngest research areas among all chemistry related research efforts, and its published scholarly work has become vibrant and diverse over the last 15 years. Research on problem-solving behavior, students' use of the arrow-pushing formalism, the investigation of students' conceptual knowledge and…

Modern electronic structure theory and applications in organic chemistry

CERN Document Server

Davidson, ER

1997-01-01

This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemical reasoning based on simpler quantum models is, however, essential to enumerating the likely possibilities. The simpler models also often suggest the type of wave function likely to be involved in ground and excited states at various points along reaction paths. This preliminary understanding is n

Integration of Computational and Preparative Techniques to Demonstrate Physical Organic Concepts in Synthetic Organic Chemistry: An Example Using Diels-Alder Reaction

Science.gov (United States)

Palmer, David R. J.

2004-01-01

The Diels-Alder reaction is used as an example for showing the integration of computational and preparative techniques, which help in demonstrating the physical organic concepts in synthetic organic chemistry. These experiments show that the students should not accept the computational results without questioning them and in many Diels-Alder…

Supercomputer requirements for theoretical chemistry

International Nuclear Information System (INIS)

Walker, R.B.; Hay, P.J.; Galbraith, H.W.

1980-01-01

Many problems important to the theoretical chemist would, if implemented in their full complexity, strain the capabilities of today's most powerful computers. Several such problems are now being implemented on the CRAY-1 computer at Los Alamos. Examples of these problems are taken from the fields of molecular electronic structure calculations, quantum reactive scattering calculations, and quantum optics. 12 figures

Visualizing Molecular Chirality in the Organic Chemistry Laboratory Using Cholesteric Liquid Crystals

Science.gov (United States)

Popova, Maia; Bretz, Stacey Lowery; Hartley, C. Scott

2016-01-01

Although stereochemistry is an important topic in second-year undergraduate organic chemistry, there are limited options for laboratory activities that allow direct visualization of macroscopic chiral phenomena. A novel, guided-inquiry experiment was developed that allows students to explore chirality in the context of cholesteric liquid crystals.…

Using Physical Organic Chemistry To Shape the Course of Electrochemical Reactions.

Science.gov (United States)

Moeller, Kevin D

2018-05-09

While organic electrochemistry can look quite different to a chemist not familiar with the technique, the reactions are at their core organic reactions. As such, they are developed and optimized using the same physical organic chemistry principles employed during the development of any other organic reaction. Certainly, the electron transfer that triggers the reactions can require a consideration of new "wrinkles" to those principles, but those considerations are typically minimal relative to the more traditional approaches needed to manipulate the pathways available to the reactive intermediates formed downstream of that electron transfer. In this review, three very different synthetic challenges-the generation and trapping of radical cations, the development of site-selective reactions on microelectrode arrays, and the optimization of current in a paired electrolysis-are used to illustrate this point.

Theoretical Framework of Advanced Training in the Field of Conflict Management in Organization

Directory of Open Access Journals (Sweden)

Kilmashkina T.N.

2018-01-01

Full Text Available In this paper, we consider the theoretical framework for creating an advanced training course for professionals working in various organizations whose functional duties include activities aimed at managing conflict situations occurring within the organization. The article also considers such problem concepts as: essence and causes of conflicts, types of conflicts in the organization; organizational, psychological, sociological and cultural ways of managing conflicts in the organization. The proposed theoretical model of advanced professional training is constructed within the framework of the competence approach which, in this case, is based on the notion that a participant in the program should master a certain set of special competencies that include knowledge, skills and abilities necessary for the effective process management of various conflict situations.

Fascinating chemistry or frustrating unpredictability : Observations in crystal engineering of metal–organic frameworks

NARCIS (Netherlands)

Goesten, M.G.; Kapteijn, F.; Gascon, J.

2013-01-01

Reticular design is a highly attractive concept, but coordination chemistry around the tectonic units of metal– organic frameworks (MOFs) and additional interplay with anionic and solvent species provide for dazzling complexity that effectively rules out structure prediction. We can however study

Handbook of heterocyclic chemistry

National Research Council Canada - National Science Library

Katritzky, Alan R

2010-01-01

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

Cooperative studyware development of organic chemistry module by experts, teachers, and students

Science.gov (United States)

Dori, Yehudit J.

1995-06-01

Experts, teachers, and students took active part in a process of organic chemistry studyware development. A unique characteristic of this process was the active involvement of three different groups of people in the authoring process: science educators, chemistry teachers, and chemistry students studying towards an education certificate. The science educators—the experts—advised the team on new methods of presenting the subject matter in an appealing way, using 3D computerized molecular modeling. The in-service chemistry teachers contributed from their rich field experience to constructing the studyware. This mutual development helped maintain the balance between expert requirements and expectations from students on one hand, and the actual student capabilities, as perceived by teachers through constant contact with the students, on the other. Finally, the preservice teachers—the undergraduate chemistry students—were often zealous, enthusiastic, and willing to put in the extra time and effort needed to produce quality studyware, while following the guidelines of the experts and teachers. Feedback on the qualities and shortcomings of the studyware was obtained in two cycles. The first one was done while the studyware was still under development by peers, and the second by individual target students, serving as a beta-site. This double feedback helped improve the studyware, mainly by elaborating on portions that require more detail and explanation. The paper describes the process as well as representative parts of the studyware. The combination of experts, teachers, and students in the development team seems to have the potential to yield studyware that is appropriate for effective science education in general and chemistry teaching in particular.

NATO Advanced Study Institute on Fundamental and Technological Aspects of Organo-f-Element Chemistry

CERN Document Server

Fragalà, Ignazio

1985-01-01

The past decade has seen a dramatic acceleration of activity and interest in phenomena surrounding lanthanide and actinide organo­ metallic compounds. Around the world, active research in organo-f­ element synthesis, chemistry, catalysis, crystallography, and quantum chemistry is in progress. This activity has spanned a remarkably wide range of disciplines, from synthetic/mechanistic inorganic and organic chemistry to radiochemistry, catalytic chemistry, spectroscopy (vibra­ tional, optical, magnetic resonance, photoelectron, Mossbauer), X-ray and neutron diffraction structural analysis, as well as to crystal field and molecular orbital theoretical studies at the interface of chemistry and physics. These investigations have been motivated both by fundamental and applied goals. The evidence that f-element organo­ metallic compounds have unique chemical and physical properties which cannot be duplicated by organometallic compounds of d-block elements has suggested many new areas of endeavor and application....

Using Commercially Available Techniques to Make Organic Chemistry Representations Tactile and More Accessible to Students with Blindness or Low Vision

Science.gov (United States)

Supalo, Cary A.; Kennedy, Sean H.

2014-01-01

Organic chemistry courses can present major obstacles to access for students with blindness or low vision (BLV). In recent years, efforts have been made to represent organic chemistry concepts in tactile forms for blind students. These methodologies are described in this manuscript. Further work being done at Illinois State University is also…

Chemistry of the elements

International Nuclear Information System (INIS)

Greenwood, N.N.; Earnshaw, A.

1984-01-01

This textbook presents an account of the chemistry of the elements for both undergraduate and postgraduate students. It covers not only the 'inorganic' chemistry of the elements, but also analytical, theoretical, industrial, organometallic;, bio-inorganic and other areas of chemistry which apply. The following elements of special nuclear interest are included: Rb, Cs, Fr, Sr, Ba, Ra, Po, At, Rn, Sc, Y, Zr, Hf, V, Nb, Ta, Mo, Tc, Ru, the Lanthanide Elements, the Actinide Elements. (U.K.)

Chemistry of Small Organic Molecules on Snow Grains: The Applicability of Artificial Snow for Environmental Studies

Czech Academy of Sciences Publication Activity Database

Kurková, R.; Ray, D.; Nachtigallová, Dana; Klán, P.

2011-01-01

Roč. 45, č. 8 (2011), s. 3430-3436 ISSN 0013-936X R&D Projects: GA MŠk LC512 Grant - others:GA ČR(CZ) GAP503/10/0947 Institutional research plan: CEZ:AV0Z40550506 Keywords : water-ice * photochemical decomposition * dibenzyl- ketones Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.228, year: 2011

A study of how precursor key concepts for organic chemistry success are understood by general chemistry students

Science.gov (United States)

Meyer, Patrick Gerard

This study examines college student understanding of key concepts that will support future organic chemistry success as determined by university instructors. During four one-hour individual interviews the sixteen subjects attempted to solve general chemistry problems. A think-aloud protocol was used along with a whiteboard where the students could draw and illustrate their ideas. The protocols for the interviews were adapted from the Covalent Structure and Bonding two-tiered multiple choice diagnostic instrument (Peterson, Treagust, & Garnett, 1989) and augmented by the Geometry and Polarity of Molecules single-tiered multiple choice instrument (Furio & Calatayud, 1996). The interviews were videotaped, transcribed, and coded for analysis to determine the subjects' understanding of the key ideas. The subjects displayed many misconceptions that were summarized into nine assertions about student conceptualization of chemistry. (1) Many students misunderstand the location and nature of intermolecular forces. (2) Some think electronegativity differences among atoms in a molecule are sufficient to make the molecule polar, regardless of spatial arrangement. (3) Most know that higher phase change temperatures imply stronger intermolecular attractions, but many do not understand the difference between covalent molecular and covalent network substances. (4) Many have difficulty deciding whether a molecule is polar or non-polar, often confusing bilateral symmetry with spatial symmetry in all three dimensions. (5) Many cannot reliably draw correct Lewis structures due to carelessness and overuse of flawed algorithms. (6) Many are confused by how electrons can both repel one other and facilitate bonding between atoms via orbitals---this seems oxymoronic to them. (7) Many cannot explain why the atoms of certain elements do not follow the octet rule and some believe the octet rule alone can determine the shape of a molecule. (8) Most do know that electronegativity and polarity

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

Science.gov (United States)

Nachtigall, Olaf; Spandl, Johann

2018-02-21

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

Irradiated Benzene Ice Provides Clues to Meteoritic Organic Chemistry

Science.gov (United States)

Callahan, Michael Patrick; Gerakines, Perry Alexander; Martin, Mildred G.; Hudson, Reggie L.; Peeters, Zan

2013-01-01

Aromatic hydrocarbons account for a significant portion of the organic matter in carbonaceous chondrite meteorites, as a component of both the low molecular weight, solvent-extractable compounds and the insoluble organic macromolecular material. Previous work has suggested that the aromatic compounds in carbonaceous chondrites may have originated in the radiation-processed icy mantles of interstellar dust grains. Here we report new studies of the organic residue made from benzene irradiated at 19 K by 0.8 MeV protons. Polyphenyls with up to four rings were unambiguously identified in the residue by gas chromatography-mass spectrometry. Atmospheric pressure photoionization Fourier transform mass spectrometry was used to determine molecular composition, and accurate mass measurements suggested the presence of polyphenyls, partially hydrogenated polyphenyls, and other complex aromatic compounds. The profile of low molecular weight compounds in the residue compared well with extracts from the Murchison and Orgueil meteorites. These results are consistent with the possibility that solid phase radiation chemistry of benzene produced some of the complex aromatics found in meteorites.

Column chromatography with almecega resin: a project for experimental organic chemistry

International Nuclear Information System (INIS)

Vieira Junior, Gerardo Magela; Carvalho, Adonias Almeida; Gonzaga, Wellington de Abreu; Chaves, Mariana H.

2007-01-01

The use of natural products to demonstrate the silica gel column chromatography technique is proposed in the present article. It describes the separation of the triterpenes α- and β-amirin from the diol breine and maniladiol, obtained from almecega resin (Protium heptaphyllum March.). The experiment uses an accessible material, was accomplished in 4 h, and can be applied with success an the experimental course of organic chemistry for undergraduate students. (author)

Promising Strategy To Improve Charge Separation in Organic Photovoltaics : Installing Permanent Dipoles in PCBM Analogues

NARCIS (Netherlands)

de Gier, Hilde D.; Jahani, Fatemeh; Broer, Ria; Hummelen, Jan C.; Havenith, Remco W. A.

2016-01-01

A multidisciplinary approach involving organic synthesis and theoretical chemistry was applied to investigate a promising strategy to improve charge separation in organic photovoltaics: installing permanent dipoles in fullerene derivatives. First, a PCBM analogue with a permanent dipole in the side

Imidazole and Triazole Coordination Chemistry for Antifouling Coatings

Directory of Open Access Journals (Sweden)

Markus Andersson Trojer

2013-01-01

Full Text Available Fouling of marine organisms on the hulls of ships is a severe problem for the shipping industry. Many antifouling agents are based on five-membered nitrogen heterocyclic compounds, in particular imidazoles and triazoles. Moreover, imidazole and triazoles are strong ligands for Cu2+ and Cu+, which are both potent antifouling agents. In this review, we summarize a decade of work within our groups concerning imidazole and triazole coordination chemistry for antifouling applications with a particular focus on the very potent antifouling agent medetomidine. The entry starts by providing a detailed theoretical description of the azole-metal coordination chemistry. Some attention will be given to ways to functionalize polymers with azole ligands. Then, the effect of metal coordination in azole-containing polymers with respect to material properties will be discussed. Our work concerning the controlled release of antifouling agents, in particular medetomidine, using azole coordination chemistry will be reviewed. Finally, an outlook will be given describing the potential for tailoring the azole ligand chemistry in polymers with respect to Cu2+ adsorption and Cu2+→Cu+ reduction for antifouling coatings without added biocides.

There Is No Simple Model of the Plasma Membrane Organization

Czech Academy of Sciences Publication Activity Database

de la serna, J. B.; Schütz, G.; Eggeling, Ch.; Cebecauer, Marek

2016-01-01

Roč. 4, SEP 2016 (2016), 106 ISSN 2296-634X R&D Projects: GA ČR GA15-06989S Institutional support: RVO:61388955 Keywords : plasma membrane * membrane organization models * heterogeneous distribution Subject RIV: CF - Physical ; Theoretical Chemistry

The effects of organic matter-mineral interactions and organic matter chemistry on diuron sorption across a diverse range of soils.

Science.gov (United States)

Smernik, Ronald J; Kookana, Rai S

2015-01-01

Sorption of non-ionic organic compounds to soil is usually expressed as the carbon-normalized partition coefficient (KOC), because it is assumed that the main factor that influences the amount sorbed is the organic carbon content of the soil. However, KOC can vary by a factor of at least ten across a range of soils. We investigated two potential causes of variation in diuron KOC - organic matter-mineral interactions and organic matter chemistry - for a diverse set of 34 soils from Sri Lanka, representing a wide range of soil types. Treatment with hydrofluoric acid (HF-treatment) was used to concentrate soil organic matter. HF-treatment increased KOC for the majority of soils (average factor 2.4). We attribute this increase to the blocking of organic matter sorption sites in the whole soils by minerals. There was no significant correlation between KOC for the whole soils and KOC for the HF-treated soils, indicating that the importance of organic matter-mineral interactions varied greatly amongst these soils. There was as much variation in KOC across the HF-treated soils as there was across the whole soils, indicating that the nature of soil organic matter is also an important contributor to KOC variability. Organic matter chemistry, determined by solid-state (13)C nuclear magnetic resonance (NMR) spectroscopy, was correlated with KOC for the HF-treated soils. In particular, KOC increased with the aromatic C content (R=0.64, p=1×10(-6)), and decreased with O-alkyl C (R=-0.32, p=0.03) and alkyl C (R=-0.41, p=0.004) content. Copyright © 2014 Elsevier Ltd. All rights reserved.

Organic Chemistry in Portugal from 1900 to 1970: A Contribution to the History of Science

Directory of Open Access Journals (Sweden)

Paulo Nuno Martins

2017-12-01

Full Text Available The main purpose of this article is to describe the contributions made by various professors in Portuguese institutions, (located at Lisbon, Coimbra and Oporto, for the development of organic chemistry, between 1900 and 1970, so that we can get a better idea of the Portuguese work done in this area (i.e., teaching, pedagogical, etc.. For this purpose, we will take particular attention to technical books used in class (lecture and laboratory. Another point of this article is to refer the organic chemistry laboratories, existent in various Portuguese universities, in order to understand the importance of practice for the complete university student training. DOI: http://dx.doi.org/10.17807/orbital.v9i5.1086

Sterilization affects soil organic matter chemistry and bioaccumulation of spiked p,p'-DDE and anthracene by earthworms

Energy Technology Data Exchange (ETDEWEB)

Kelsey, Jason W., E-mail: kelsey@muhlenberg.ed [Program in Environmental Science and Department of Chemistry, Muhlenberg College, 2400 Chew Street, Allentown, PA 18104 (United States); Slizovskiy, Ilya B.; Peters, Richard D.; Melnick, Adam M. [Program in Environmental Science and Department of Chemistry, Muhlenberg College, 2400 Chew Street, Allentown, PA 18104 (United States)

2010-06-15

Laboratory experiments were conducted to assess the effects of soil sterilization on the bioavailability of spiked p,p'-DDE and anthracene to the earthworms Eisenia fetida and Lumbricus terrestris. Physical and chemical changes to soil organic matter (SOM) induced by sterilization were also studied. Uptake of both compounds added after soil was autoclaved or gamma irradiated increased for E. fetida. Sterilization had no effect on bioaccumulation of p,p'-DDE by L. terrestris, and anthracene uptake increased only in gamma-irradiated soils. Analyses by FT-IR and DSC indicate sterilization alters SOM chemistry and may reduce pollutant sorption. Chemical changes to SOM were tentatively linked to changes in bioaccumulation, although the effects were compound and species specific. Artifacts produced by sterilization could lead to inaccurate risk assessments of contaminated sites if assumptions derived from studies carried out in sterilized soil are used. Ultimately, knowledge of SOM chemistry could aid predictions of bioaccumulation of organic pollutants. - Soil sterilization affects soil organic matter chemistry and pollutant bioaccumulation.

Materials Chemistry

CERN Document Server

Fahlman, Bradley D

2011-01-01

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

Improvements to the characterization of organic nitrogen chemistry and deposition in CMAQ (CMAS Presentation)

Science.gov (United States)

Excess atmospheric nitrogen deposition can cause significant harmful effects to ecosystems. Organic nitrogen deposition can be an important contributor to the total nitrogen budget, contributing 10-30%, however there are large uncertainties in the chemistry and deposition of thes...

"No one does this for fun": Contextualization and process writing in an organic chemistry laboratory course

Science.gov (United States)

Gay, Andrea

This study investigated the introduction of curriculum innovations into an introductory organic chemistry laboratory course. Pre-existing experiments in a traditional course were re-written in a broader societal context. Additionally, a new laboratory notebook methodology was introduced, using the Decision/Explanation/Observation/Inference (DEOI) format that required students to explicitly describe the purpose of procedural steps and the meanings of observations. Experts in organic chemistry, science writing, and chemistry education examined the revised curriculum and deemed it appropriate. The revised curriculum was introduced into two sections of organic chemistry laboratory at Columbia University. Field notes were taken during the course, students and teaching assistants were interviewed, and completed student laboratory reports were examined to ascertain the impact of the innovations. The contextualizations were appreciated for making the course more interesting; for lending a sense of purpose to the study of chemistry; and for aiding in students' learning. Both experts and students described a preference for more extensive connections between the experiment content and the introduced context. Generally, students preferred the DEOI method to journal-style laboratory reports believing it to be more efficient and more focused on thinking than stylistic formalities. The students claimed that the DEOI method aided their understanding of the experiments and helped scaffold their thinking, though some students thought that the method was over-structured and disliked the required pre-laboratory work. The method was used in two distinct manners; recursively writing and revising as intended and concept contemplation only after experiment completion. The recursive use may have been influenced by TA attitudes towards the revisions and seemed to engender a sense of preparedness. Students' engagement with the contextualizations and the DEOI method highlight the need for

Effectiveness of Student-Generated Video as a Teaching Tool for an Instrumental Technique in the Organic Chemistry Laboratory

Science.gov (United States)

Jordan, Jeremy T.; Box, Melinda C.; Eguren, Kristen E.; Parker, Thomas A.; Saraldi-Gallardo, Victoria M.; Wolfe, Michael I.; Gallardo-Williams, Maria T.

2016-01-01

Multimedia instruction has been shown to serve as an effective learning aid for chemistry students. In this study, the viability of student-generated video instruction for organic chemistry laboratory techniques and procedure was examined and its effectiveness compared to instruction provided by a teaching assistant (TA) was evaluated. After…

Chemistry Division annual progress report for period ending January 31, 1984

Energy Technology Data Exchange (ETDEWEB)

1984-05-01

Progress is reported in the following fields: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, high-temperature chemistry and thermodynamics of structural materials, chemistry of transuranium elements and compounds, separations chemistry, elecrochemistry, catalysis, chemical physics, theoretical chemistry, nuclear waste chemistry, chemistry of hazardous chemicals, and thermal energy storage.

Role of Synthetic and Dimensional Synthetic Organic Chemistry in Block Copolymer Micelle Nanosensor Engineering

DEFF Research Database (Denmark)

Ek, Pramod Kumar

This thesis investigated the role of amphiphilic triblock copolymer micelle nanomaterials in nanosensors, with emphasis on the synthesis of micelle particle sensors. The thesis is focused on the role of synthetic and dimensional synthetic organic chemistry in amphiphilic triblock core-shellcorona...

Molecular dynamics simulations of small halogenated organics at the air-water interface: implications in water treatment and atmospheric chemistry

Czech Academy of Sciences Publication Activity Database

Habartová, Alena; Valsaraj, K. T.; Roeselová, Martina

2013-01-01

Roč. 117, č. 38 (2013), s. 9205-9215 ISSN 1089-5639 R&D Projects: GA ČR GA13-06181S Institutional support: RVO:61388963 Keywords : aerosol * air bubbles * interfacial concentration Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.775, year: 2013

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

Science.gov (United States)

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

2018-01-01

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

Formation of Virtual Organizations in Grids: A Game-Theoretic Approach

Science.gov (United States)

Carroll, Thomas E.; Grosu, Daniel

The execution of large scale grid applications requires the use of several computational resources owned by various Grid Service Providers (GSPs). GSPs must form Virtual Organizations (VOs) to be able to provide the composite resource to these applications. We consider grids as self-organizing systems composed of autonomous, self-interested GSPs that will organize themselves into VOs with every GSP having the objective of maximizing its profit. We formulate the resource composition among GSPs as a coalition formation problem and propose a game-theoretic framework based on cooperation structures to model it. Using this framework, we design a resource management system that supports the VO formation among GSPs in a grid computing system.

Meaningful Understanding and Systems Thinking in Organic Chemistry: Validating Measurement and Exploring Relationships

Science.gov (United States)

Vachliotis, Theodoros; Salta, Katerina; Tzougraki, Chryssa

2014-01-01

The purpose of this study was dual: First, to develop and validate assessment schemes for assessing 11th grade students' meaningful understanding of organic chemistry concepts, as well as their systems thinking skills in the domain. Second, to explore the relationship between the two constructs of interest based on students' performance…

A New Higher Education Curriculum in Organic Chemistry: What Questions Should Be Asked?

Science.gov (United States)

Lafarge, David L.; Morge, Ludovic M.; Méheut, Martine M.

2014-01-01

Organic chemistry is often considered to be a difficult subject to teach and to learn, particularly as students prefer to resort to memorization alone rather than reasoning using models from chemical reactivity. Existing studies have led us to suggest principles for redefining the curriculum, ranging from its overall structure to the tasks given…

Development and analysis of educational technologies for a blended organic chemistry course

Science.gov (United States)

Evans, Michael James

Blended courses incorporate elements of both face-to-face and online instruction. The extent to which blended courses are conducted online, and the proper role of the online components of blended courses, have been debated and may vary. What can be said in general, however, is that online tools for blended courses are typically culled together from a variety of sources, are often very large scale, and may present distractions for students that decrease their utility as teaching tools. Furthermore, large-scale educational technologies may not be amenable to rigorous, detailed study, limiting evaluation of their effectiveness. Small-scale educational technologies run from the instructor's own server have the potential to mitigate many of these issues. Such tools give the instructor or researcher direct access to all available data, facilitating detailed analysis of student use. Code modification is simple and rapid if errors arise, since code is stored where the instructor can easily access it. Finally, the design of a small-scale tool can target a very specific application. With these ideas in mind, this work describes several projects aimed at exploring the use of small-scale, web-based software in a blended organic chemistry course. A number of activities were developed and evaluated using the Student Assessment of Learning Gains survey, and data from the activities were analyzed using quantitative methods of statistics and social network analysis methods. Findings from this work suggest that small-scale educational technologies provide significant learning benefits for students of organic chemistry---with the important caveat that instructors must offer appropriate levels of technical and pedagogical support for students. Most notably, students reported significant learning gains from activities that included collaborative learning supported by novel online tools. For the particular context of organic chemistry, which has a unique semantic language (Lewis

The Flipped Classroom for Teaching Organic Chemistry in Small Classes: Is It Effective?

Science.gov (United States)

Fautch, Jessica M.

2015-01-01

The flipped classroom is a pedagogical approach that moves course content from the classroom to homework, and uses class time for engaging activities and instructor-guided problem solving. The course content in a sophomore level Organic Chemistry I course was assigned as homework using video lectures, followed by a short online quiz. In class,…

Modelling iodide – iodate speciation in atmospheric aerosol: Contributions of inorganic and organic iodine chemistry

Directory of Open Access Journals (Sweden)

S. Pechtl

2007-01-01

Full Text Available The speciation of iodine in atmospheric aerosol is currently poorly understood. Models predict negligible iodide concentrations but accumulation of iodate in aerosol, both of which is not confirmed by recent measurements. We present an updated aqueous phase iodine chemistry scheme for use in atmospheric chemistry models and discuss sensitivity studies with the marine boundary layer model MISTRA. These studies show that iodate can be reduced in acidic aerosol by inorganic reactions, i.e., iodate does not necessarily accumulate in particles. Furthermore, the transformation of particulate iodide to volatile iodine species likely has been overestimated in previous model studies due to negligence of collision-induced upper limits for the reaction rates. However, inorganic reaction cycles still do not seem to be sufficient to reproduce the observed range of iodide – iodate speciation in atmospheric aerosol. Therefore, we also investigate the effects of the recently suggested reaction of HOI with dissolved organic matter to produce iodide. If this reaction is fast enough to compete with the inorganic mechanism, it would not only directly lead to enhanced iodide concentrations but, indirectly via speed-up of the inorganic iodate reduction cycles, also to a decrease in iodate concentrations. Hence, according to our model studies, organic iodine chemistry, combined with inorganic reaction cycles, is able to reproduce observations. The presented chemistry cycles are highly dependent on pH and thus offer an explanation for the large observed variability of the iodide – iodate speciation in atmospheric aerosol.

Environmental chemistry. Seventh edition

Energy Technology Data Exchange (ETDEWEB)

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

1999-11-01

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

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

Science.gov (United States)

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

2015-01-01

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

Theoretical insights into multiscale electronic processes in organic photovoltaics

Science.gov (United States)

Tretiak, Sergei

Present day electronic devices are enabled by design and implementation of precise interfaces that control the flow of charge carriers. This requires robust and predictive multiscale approaches for theoretical description of underlining complex phenomena. Combined with thorough experimental studies such approaches provide a reliable estimate of physical properties of nanostructured materials and enable a rational design of devices. From this perspective I will discuss first principle modeling of small-molecule bulk-heterojunction organic solar cells and push-pull chromophores for tunable-color organic light emitters. The emphasis is on electronic processes involving intra- and intermolecular energy or charge transfer driven by strong electron-phonon coupling inherent to pi-conjugated systems. Finally I will describe how precise manipulation and control of organic-organic interfaces in a photovoltaic device can increase its power conversion efficiency by 2-5 times in a model bilayer system. Applications of these design principles to practical architectures like bulk heterojunction devices lead to an enhancement in power conversion efficiency from 4.0% to 7.0%. These interface manipulation strategies are universally applicable to any donor-acceptor interface, making them both fundamentally interesting and technologically important for achieving high efficiency organic electronic devices.

Undergraduate Organic Chemistry Laboratory Safety

Science.gov (United States)

Luckenbaugh, Raymond W.

1996-11-01

Each organic chemistry student should become familiar with the educational and governmental laboratory safety requirements. One method for teaching laboratory safety is to assign each student to locate safety resources for a specific class laboratory experiment. The student should obtain toxicity and hazardous information for all chemicals used or produced during the assigned experiment. For example, what is the LD50 or LC50 for each chemical? Are there any specific hazards for these chemicals, carcinogen, mutagen, teratogen, neurotixin, chronic toxin, corrosive, flammable, or explosive agent? The school's "Chemical Hygiene Plan", "Prudent Practices for Handling Hazardous Chemicals in the Laboratory" (National Academy Press), and "Laboratory Standards, Part 1910 - Occupational Safety and Health Standards" (Fed. Register 1/31/90, 55, 3227-3335) should be reviewed for laboratory safety requirements for the assigned experiment. For example, what are the procedures for safe handling of vacuum systems, if a vacuum distillation is used in the assigned experiment? The literature survey must be submitted to the laboratory instructor one week prior to the laboratory session for review and approval. The student should then give a short presentation to the class on the chemicals' toxicity and hazards and describe the safety precautions that must be followed. This procedure gives the student first-hand knowledge on how to find and evaluate information to meet laboartory safety requirements.

Radiation chemistry

International Nuclear Information System (INIS)

Swallow, A.J.

1983-01-01

The subject is covered in chapters, entitled: introduction (defines scope of article as dealing with the chemistry of reactive species, (e.g. excess electrons, excited states, free radicals and inorganic ions in unusual valency states) as studied using radiation with radiation chemistry in its traditional sense and with biological and industrial applications); gases; water and simple inorganic systems; aqueous metallo-organic compounds and metalloproteins; small organic molecules in aqueous solution; microheterogeneous systems; non-aqueous liquids and solutions; solids; biological macromolecules; synthetic polymers. (U.K.)

Oxygenated Organic Chemicals in the Pacific Troposphere: Distribution, Sources and Chemistry

Science.gov (United States)

Singh, Hanwant B.; Salas, L.; Chatfield, R.; Czech, E.; Fried, A.; Evans, M.; Jacob, D. J.; Blake, D.; Heikes, B.; Talbot, R.

2003-01-01

Airborne measurements of a large number of oxygenated organic chemicals (Oxorgs) were carried out in the Pacific troposphere (0.1-12 km) in the Spring of 2001 (Feb. 24-April 10). Specifically these measuremen ts included acetone, methylethyl ketone (MEK), methanol, ethanol, ace taldehyde, propionaldehyde, PANS, and organic nitrates. Complementary measurements of formaldehyde, organic peroxides, and tracers were al so available. Ox-orgs were abundant in the clean troposphere and were greatly enhanced in the outflow regions from Asia. Their mixing ratios were typically highest in the lower troposphere and declined toward s the upper troposphere and the lowermost stratosphere. Their total a bundance (Ox-orgs) significantly exceeded that of NMHC (C2-C8 NMHC). A comparison of these data with observations collected some seven yea rs earlier (Feb.-March, 1994), did not reveal any significant changes . Throughout the troposphere mixing ratios of Ox-orgs were strongly c orrelated with each other as well as with tracers of fossil and bioma sshiof'uel combustion. Analysis of the relative enhancement of selected Oxorgs with respect to CH3Cl and CO in twelve sampled plumes, origi nating from fires, is used to assess their primary and secondary sour ces from biomass combustion. The composition of these plumes also ind icates a large shift of reactive nitrogen into the PAN reservoir ther eby limiting ozone formation. The Harvard 3-D photochemical model, th at uses state of the art chemistry and source information, is used to compare simulated and observed mixing ratios of selected species. A 1 -D model is used to explore the chemistry of aldehydes. These results will be presented.

Indirect photopatterning of functionalized organic monolayers via copper-catalyzed "click chemistry"

Science.gov (United States)

Williams, Mackenzie G.; Teplyakov, Andrew V.

2018-07-01

Solution-based lithographic surface modification of an organic monolayer on a solid substrate is attained based on selective area photo-reduction of copper (II) to copper (I) to catalyze the azide-alkyne dipolar cycloaddition "click" reaction. X-ray photoelectron spectroscopy is used to confirm patterning, and spectroscopic results are analyzed and supplemented with computational models to confirm the surface chemistry. It is determined that this surface modification approach requires irradiation of the solid substrate with all necessary components present in solution. This method requires only minutes of irradiation to result in spatial and temporal control of the covalent surface functionalization of a monolayer and offers the potential for wavelength tunability that may be desirable in many applications utilizing organic monolayers.

Applied radiation chemistry - the present status in the Institute for Nuclear Research Academia Sinica (INRAS)

International Nuclear Information System (INIS)

Nian-yun, L.

1981-01-01

The department of radiation chemistry in INRAS is one of the research centers of radiation chemistry in China. Since its establishment in 1958, basic theoretical and applied radiation chemistry have been extensively studied and promoted. In the field of applied radiation chemistry of polymers, radiation modification of polymeric systems is an important and active branch. Materials such as permselective membranes based on different polymer films have been prepared by means of radiation crosslinking and grafting. Superfine powdered wax, which may be used for the preparation of special lubricating grease of high quality, has been obtained via radiation degradation of PTFE (polytetrafluoroethylene). As for applied organic radiation chemistry, the main technological conditions of preparation of alkane sulfonic acid by radiation sulphoxidation of n-paraffin were optimized and the radiation sensitization effects of halogenated alkane and acetic anhydride on the indicated system were studied. The radiation stability of linear conjugated molecules and the related effects of intra- and intermolecular radiation protection were particularly investigated. These studies are described. (author)

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

Science.gov (United States)

Flynn, Alison B.; Ogilvie, William W.

2015-01-01

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

Teaching biochemistry to medical students in Singapore--from organic chemistry to problem-based learning.

Science.gov (United States)

Khoo, H E

2005-07-01

The medical faculty in the National University of Singapore started in 1905 but the Chair in Biochemistry was only established in 1927. For many years the biochemistry course consisted of the teaching of the organic chemistry of substances of physiological importance, nutrition, metabolism and hormones. In 1961, clinical biochemistry was introduced and in the 1980s, genetics and molecular biology were included. By then, most of the organic chemistry content had been removed as greater emphasis was placed on clinical correlation. Laboratory classes consisted of mock glucose tolerance tests and the measurement of various enzymes. By the 1990s, students were no longer interested in such practical classes, so a bold decision was made around 1995 to remove laboratory classes from the curriculum. Unfortunately, this meant that the medical students who might have been interested in laboratory work could no longer do such work. However, the new curriculum in 1999 gave the department an opportunity to offer a laboratory course as an elective for interested students. This new curriculum adopted an integrated approach with Genetics being taught as part of Paediatrics, and a new module (Structural and Cell Biology) comprising aspects of cell biology and biochemistry was introduced. This module is currently taught by staff from Anatomy, Physiology and Biochemistry. Some biochemistry content is now incorporated into the clinical problem scenarios of problem-based learning such as jaundice, diabetes mellitus, anorexia nervosa, etc. So the evolution of teaching biochemistry to medical students in Singapore has paralleled worldwide trends and moved from the didactic teaching of organic chemistry of biomolecules to problem-based learning using clinical cases.

Substantial secondary organic aerosol formation in a coniferous forest: observations of both day- and nighttime chemistry

Directory of Open Access Journals (Sweden)

A. K. Y. Lee

2016-06-01

Full Text Available Substantial biogenic secondary organic aerosol (BSOA formation was investigated in a coniferous forest mountain region in Whistler, British Columbia. A largely biogenic aerosol growth episode was observed, providing a unique opportunity to investigate BSOA formation chemistry in a forested environment with limited influence from anthropogenic emissions. Positive matrix factorization of aerosol mass spectrometry (AMS measurement identified two types of BSOA (BSOA-1 and BSOA-2, which were primarily generated by gas-phase oxidation of monoterpenes and perhaps sesquiterpenes. The temporal variations of BSOA-1 and BSOA-2 can be explained by gas–particle partitioning in response to ambient temperature and the relative importance of different oxidation mechanisms between day and night. While BSOA-1 arises from gas-phase ozonolysis and nitrate radical chemistry at night, BSOA-2 is likely less volatile than BSOA-1 and consists of products formed via gas-phase oxidation by OH radical and ozone during the day. Organic nitrates produced through nitrate radical chemistry can account for 22–33 % of BSOA-1 mass at night. The mass spectra of BSOA-1 and BSOA-2 have higher values of the mass fraction of m/z 91 (f91 compared to the background organic aerosol. Using f91 to evaluate BSOA formation pathways in this unpolluted, forested region, heterogeneous oxidation of BSOA-1 is a minor production pathway of BSOA-2.

Proceedings of the 17. Annual Meeting of the Brazilian Chemistry Society; 7. National Symposium on Inorganic Chemistry. Abstracts

International Nuclear Information System (INIS)

1994-01-01

These 17. Annual Meeting of the Brazilian Chemistry Society and 7. National Symposium on Inorganic Chemistry present several subjects of different interests for the participants, including sections about inorganic chemistry; organic chemistry; environmental chemistry; technological chemistry; electrochemistry; physical chemistry; photochemistry; chemical education; natural products; analytical chemistry and biological chemistry. (C.G.C.)

Annual report 1984 Chemistry Department

International Nuclear Information System (INIS)

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

1985-03-01

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

Annual report 1987 Chemistry Department

International Nuclear Information System (INIS)

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

1988-04-01

This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1987 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistry, mineral processing, and general. 13 ills., (author)

Annual report 1985 Chemistry Department

International Nuclear Information System (INIS)

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

1986-03-01

This report contains a brief survey of the main activities in the Chemistry Department. All particles and reports published and lectures given in 1985 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general. (author)

Annual report 1982 chemistry department

International Nuclear Information System (INIS)

Larsen, E.; Nielsen, O.J.

1983-04-01

The work going on in the Risoe National Laboratory, Chemistry Department is briefly surveyed by a presentation of all articles and reports published in 1982. The facilities and equipment are barely mentioned. The papers are divided into eight activities: 1. neutron activation analysis 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry 6. radical chemistry 7. poitron annihilation 8. uranium process chemistry. (author)

Annual report 1986 chemistry department

International Nuclear Information System (INIS)

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

1987-03-01

This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1986 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, radical chemistral, mineral processing, and general. (author)

Isolation, spectroscopic characterization, X-ray, theoretical studies as well as in vitro cytotoxicity of Samarcandin

Czech Academy of Sciences Publication Activity Database

Ghoran, S.H.; Atabaki, V.; Babaei, E.; Olfatkhah, S.R.; Dušek, Michal; Eigner, Václav; Soltani, A.; Khalaji, A.D.

2016-01-01

Roč. 66, Jun (2016), s. 27-32 ISSN 0045-2068 R&D Projects: GA ČR GA15-12653S; GA MŠk LO1603 EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510 Institutional support: RVO:68378271 Keywords : cytotoxicity * NMR * sesquiterpene coumarin * theoretical study * TD-DFT * X-ray Subject RIV: CC - Organic Chemistry Impact factor: 3.231, year: 2016

Design of Organic Transformations at Ambient Conditions: Our Sincere Efforts to the Cause of Green Chemistry Practice.

Science.gov (United States)

Brahmachari, Goutam

2016-02-01

This account summarizes our recent efforts in designing a good number of important organic transformations leading to the synthesis of biologically relevant compounds at room temperature and pressure. Currently, the concept of green chemistry is globally acclaimed and has already advanced quite significantly to emerge as a distinct branch of chemical sciences. Among the principles of green chemistry, one principle is dedicated to the "design of energy efficiency" - that is, to develop synthetic strategies that require less or the minimum amount of energy to carry out a specific reaction with optimum productivity - and the most effective way to save energy is to develop strategies/protocols that are capable enough to carry out the transformations at ambient temperature! As part of on-going developments in green synthetic strategies, the design of reactions under ambient conditions coupled with other green aspects is, thus, an area of current interest. The concept of developing reaction strategies at room temperature and pressure is now an emerging field of research in organic chemistry and is progressing steadily. This account is aimed to offer an overview of our recent research works directly related to this particular field of interest, and highlights the green chemistry practice leading to carbon-carbon and carbon-heteroatom bond-forming reactions of topical significance. Green synthetic routes to a variety of biologically relevant organic molecules (heterocyclic, heteroaromatic, alicyclic, acyclic, etc.) at room temperature and pressure are discussed. © 2015 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Performance Enhanced Interactive Learning Workshop Model as a Supplement for Organic Chemistry Instruction

Science.gov (United States)

Phillips, Karen E. S.; Grose-Fifer, Jilliam

2011-01-01

In this study, the authors describe a Performance Enhanced Interactive Learning (PEIL) workshop model as a supplement for organic chemistry instruction. This workshop model differs from many others in that it includes public presentations by students and other whole-class-discussion components that have not been thoroughly investigated in the…

Synthesis of 10-Ethyl Flavin: A Multistep Synthesis Organic Chemistry Laboratory Experiment for Upper-Division Undergraduate Students

Science.gov (United States)

Sichula, Vincent A.

2015-01-01

A multistep synthesis of 10-ethyl flavin was developed as an organic chemistry laboratory experiment for upper-division undergraduate students. Students synthesize 10-ethyl flavin as a bright yellow solid via a five-step sequence. The experiment introduces students to various hands-on experimental organic synthetic techniques, such as column…

Chemical Education Research: Improving Chemistry Learning

Science.gov (United States)

Dudley Herron, J.; Nurrenbern, Susan C.

1999-10-01

Chemical education research is the systematic investigation of learning grounded in a theoretical foundation that focuses on understanding and improving learning of chemistry. This article reviews many activities, changes, and accomplishments that have taken place in this area of scholarly activity despite its relatively recent emergence as a research area. The article describes how the two predominant broad perspectives of learning, behaviorism and constructivism, have shaped and influenced chemical education research design, analysis, and interpretation during the 1900s. Selected research studies illustrate the range of research design strategies and results that have contributed to an increased understanding of learning in chemistry. The article also provides a perspective of current and continuing challenges that researchers in this area face as they strive to bridge the gap between chemistry and education - disciplines with differing theoretical bases and research paradigms.

Testing the Vibrational Theory of Olfaction: A Bio-Organic Chemistry Laboratory Experiment Using Hooke's Law and Chirality

Science.gov (United States)

Muthyala, Rajeev S.; Butani, Deepali; Nelson, Michelle; Tran, Kiet

2017-01-01

Sense of smell is one of the important senses that enables us to interact with our environment. The molecular basis of olfactory signal transduction is a fascinating area for organic chemistry educators to explore in terms of developing undergraduate laboratory activities at the interface of chemistry and biology. In this paper, a guided-inquiry…

XVIII Mendeleev congress on general and applied chemistry. Summaries of reports in five volumes. Volume 5. IV Russian-French symposium Supramolecular systems in chemistry and biology. II Russian-Indian symposium on organic chemistry. International symposium on present-day radiochemistry Radiochemistry: progress and prospects. International symposium Green chemistry, stable evolution and social responsibility of chemists. Symposium Nucleophilic hydrogen substitution in aromatic systems and related reactions

International Nuclear Information System (INIS)

2007-01-01

The 5 volume of the XVIII Mendeleev congress on general and applied chemistry includes summaries of reports on the subjects of sypramolecular systems in chemistry and biology, organic chemistry, modern radiochemistry, green chemistry - development and social responsibility of chemists, nucleophilic hydrogen substitution in aromatic systems and related chemical reactions [ru

The latest general chemistry

International Nuclear Information System (INIS)

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

1995-02-01

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

Annual report 1988 Chemistry Department

International Nuclear Information System (INIS)

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

1989-05-01

This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1988 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

Annual report 1989 Chemistry Department

International Nuclear Information System (INIS)

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

1990-03-01

This report contains a brief survey of the main activities in the Chemistry Department. The names and abstracts of all articles and reports published and lectures given in 1989 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, analytical- and organic chemistry, environmental chemistry, polymer chemistry, chemical reactivity, mineral processing, and general. (author)

Recent development in computational actinide chemistry

International Nuclear Information System (INIS)

Li Jun

2008-01-01

Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first-principle theory and computational modeling. Actinide compounds are challenging to computational chemistry because of their complicated electron correlation effects and relativistic effects, including spin-orbit coupling effects. There have been significant developments in theoretical studies on actinide compounds in the past several years. The theoretical capabilities coupled with new experimental characterization techniques now offer a powerful combination for unraveling the complexities of actinide chemistry. In this talk, we will provide an overview of our own research in this field, with particular emphasis on applications of relativistic density functional and ab initio quantum chemical methods to the geometries, electronic structures, spectroscopy and excited-state properties of small actinide molecules such as CUO and UO 2 and some large actinide compounds relevant to separation and environment science. The performance of various density functional approaches and wavefunction theory-based electron correlation methods will be compared. The results of computational modeling on the vibrational, electronic, and NMR spectra of actinide compounds will be briefly discussed as well [1-4]. We will show that progress in relativistic quantum chemistry, computer hardware and computational chemistry software has enabled computational actinide chemistry to emerge as a powerful and predictive tool for research in actinide chemistry. (authors)

A Historical Analysis of the Curriculum of Organic Chemistry Using ACS Exams as Artifacts

Science.gov (United States)

Raker, Jeffrey R.; Holme, Thomas A.

2013-01-01

Standardized examinations, such as those developed and disseminated by the ACS Examinations Institute, are artifacts of the teaching of a course and over time may provide a historical perspective on how curricula have changed and evolved. This study investigated changes in organic chemistry curricula across a 60-year period by evaluating 18 ACS…

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

Science.gov (United States)

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

2017-07-26

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

Theoretical investigation of the Friedlander reaction catalysed by CuBTC: Concerted effect of the adjacent Cu2+ sites

Czech Academy of Sciences Publication Activity Database

Položij, M.; Pérez-Mayoral, E.; Čejka, Jiří; Hermann, J.; Nachtigall, P.

2013-01-01

Roč. 204, APR 2013 (2013), s. 101-107 ISSN 0920-5861 R&D Projects: GA ČR GBP106/12/G015 Grant - others:European Commission(XE) FP7/2007-2013, contract 228862 Institutional support: RVO:61388955 Keywords : Friedlander reaction * Metal Organic Framework (MOF) * CuBTC Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.309, year: 2013

Reticular Chemistry and Metal-Organic Frameworks: Design and Synthesis of Functional Materials for Clean Energy Applications

KAUST Repository

Alezi, Dalal

2017-01-01

Gaining control over the assembly of crystalline solid-state materials has been significantly advanced through the field of reticular chemistry and metal organic frameworks (MOFs). MOFs have emerged as a unique modular class of porous materials

Future in actinoids coordination chemistry

International Nuclear Information System (INIS)

Kitazawa, Takafumi

2006-01-01

Actinoids coordination chemistry is concerned with spent nuclear fuel reprocessing, specifically with solid-state chemistry of nuclear fuels, separation process with radioactive substances, and geological disposal of high-level radioactive substances. In the 21st century, accumulation of minor actinides, Np, Am, Cm, and others will be realized according with the present program of nuclear energy development. The present article briefly introduces general properties of actinide elements, followed by their coordination chemistry compared with rare earths coordination chemistry. Special facility needed to treat actinoids as well as their chemistry is briefly explained, together with the specific experimental apparatus such as X-ray Absorption Fine Structure (XAFS) and time-resolved laser-induced fluorescence spectrometry (TRLFS) with synchrotron radiation facilities. The effect of coordination with actinoids in the environment chemistry is important in underground disposal of high-level radioactive wastes. For theoretical analysis of the results with actinoids chemistry, relativistic calculation is needed. (S. Ohno)

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

OpenAIRE

Marek Tobiszewski; Mariusz Marć; Agnieszka Gałuszka; Jacek Namieśnik

2015-01-01

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...

Synthesis of Organic Matter of Prebiotic Chemistry at the Protoplanetary Disc

Science.gov (United States)

Snytnikov, Valeriy; Stoynovskaya, Olga; Rudina, Nina

We have carried out scanning electron microscopic examination of CM carbonaceous chondrites meteorites Migey, Murchison, Staroe Boriskino aged more than 4.56 billion years (about 50 million years from the beginning of the formation of the Solar system). Our study confirmed the conclusion of Rozanov, Hoover and other researchers about the presence of microfossils of bacterial origin in the matrix of all these meteorites. Since the time of the Solar system formation is 60 - 100 million years, the primary biocenosis emerged in the protoplanetary disc of the Solar system before meteorites or simultaneously with them. It means that prebiological processes and RNA world appeared even earlier in the circumsolar protoplanetary disc. Most likely, this appearance of prebiotic chemistry takes place nowday in massive and medium-massive discs of the observed young stellar objects (YSO) class 0 and I. The timescale of the transition from chemical to biological evolution took less than 50 million years for the Solar system. Further evolution of individual biocenosis in a protoplanetary disc associated with varying physico-chemical conditions during the formation of the Solar system bodies. Biocenosis on these bodies could remove or develop under the influence of many cosmic factors and geological processes in the case of Earth. To complete the primary biosphere formation in short evolution time - millions of years - requires highly efficient chemical syntheses. In industrial chemistry for the efficient synthesis of ammonia, hydrogen cyanide, methanol and other organic species, that are the precursors to obtain prebiotic compounds, catalytic reactors of high pressure are used. Thus (1) necessary amount of the proper catalyst in (2) high pressure areas of the disc can trigger these intense syntheses. The disc contains the solids with the size from nanoparticle to pebble. Iron and magnesium is catalytically active ingredient for such solids. The puzzle is a way to provide hydrogen

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

International Nuclear Information System (INIS)

1982-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

1982-01-01

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

Organic synthesis

International Nuclear Information System (INIS)

Lallemand, J.Y.; Fetizon, M.

1988-01-01

The 1988 progress report of the Organic Synthesis Chemistry laboratory (Polytechnic School, France), is presented. The laboratory activities are centered on the chemistry of natural products, which have a biological activity and on the development of new reactions, useful in the organic synthesis. The research works involve the following domains: the natural products chemistry which are applied in pharmacology, the plants and insects chemistry, the organic synthesis, the radical chemistry new reactions and the bio-organic physicochemistry. The published papers, the congress communications and the thesis are listed [fr

Role of Organic Solutes in the Chemistry Of Acid-Impacted Bog Waters of the Western Czech Republic

Science.gov (United States)

HrušKa, Jakub; Johnson, Chris E.; KráM, Pavel

1996-04-01

In many regions, naturally occurring organic acid anions can effectively buffer mineral acid inputs from atmospheric deposition, moderating their effect on surface water pH. We studied the effect of chronically high inputs of acid rain on the chemistry of three brown-water streams in the western Czech Republic. The dissolved organic acids in the streams were similar in character to those of other systems in Europe and North America. The site densities (the carboxyl group content per mass of C) were similar to values reported from Fenno-Scandia, and the relationship between the apparent pKa and pH conformed to those from two North American studies. Sulfate and organic acid anions (OA-) were the dominant anions in all three streams, yet despite high dissolved organic carbon and total organic acid concentrations, OA - comprised only 21-32% of total anion charge. This pattern was due to very high sulfate concentrations and, in two of the streams, a low degree of dissociation of the organic acids, probably the results of high long-term inputs of strong acids. Stream water pH was highly correlated to sulfate concentration, but uncorrelated with OA-, suggesting that free acidity is controlled by strong mineral acids rather than organic acids. Thus future reductions in strong acid inputs should result in increased pH and a return to organic control over acid-base chemistry.

In-situ Evaluation of Soil Organic Molecules: Functional Group Chemistry Aggregate Structures, Metal and Surface Complexation Using Soft X-Ray

International Nuclear Information System (INIS)

Myneni, Satish C.

2008-01-01

Organic molecules are common in all Earth surface environments, and their composition and chemistry play an important role in a variety of biogeochemical reactions, such as mineral weathering, nutrient cycling and the solubility and transport of contaminants. However, most of what we know about the chemistry of these molecules comes from spectroscopy and microscopy studies of organic molecules extracted from different natural systems using either inorganic or organic solvents. Although all these methods gave us clues about the composition of these molecules, their composition and structure change with the extraction and the type of ex-situ analysis, their true behavior is less well understood. The goal of this project is to develop synchrotron instrumentation for studying natural organics, and to apply these recently developed synchrotron X-ray spectroscopy and microscopy techniques for understanding the: (1) functional group composition of naturally occurring organic molecules; (2) macromolecular structures of organic molecules; and (3) the nature of interactions of organic molecules with mineral surfaces in different environmental conditions.

Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF

Czech Academy of Sciences Publication Activity Database

Rubeš, M.; Grajciar, L.; Bludský, Ota; Wiersum, A. D.; Llewellyn, P. L.; Nachtigall, P.

2012-01-01

Roč. 13, č. 2 (2012), s. 488-495 ISSN 1439-4235 R&D Projects: GA MŠk LC512 Grant - others:GA MŠk(CZ) 7E09111; 7th framework programme(XE) 228862 Institutional research plan: CEZ:AV0Z40550506 Keywords : ab initio calculations * adsorption * density functional calculations * metal-organic frameworks * microcalorimetry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.349, year: 2012

Experimental and Theoretical Studies of Atmosphereic Inorganic Chlorine Chemistry

Science.gov (United States)

Sander, Stanley P.; Friedl, Randall R.

1993-01-01

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

Catalytic behavior of metal-organic frameworks and zeolites: Rationalization and comparative analysis

Czech Academy of Sciences Publication Activity Database

Opanasenko, Maksym

2015-01-01

Roč. 243, APR 2015 (2015), s. 2-9 ISSN 0920-5861 R&D Projects: GA ČR GA14-07101S Institutional support: RVO:61388955 Keywords : Metal -organic frameworks * Zeolites * heterogeneous catalysis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.312, year: 2015

Nuffield A-Level Chemistry: A Personal View

Science.gov (United States)

Bailey, Roy

1972-01-01

Maintains that there are topics of thermodynamics and organic chemistry in Nuffield A-level chemistry program which should be reviewed critically for their content organization. The Nuffield course is considered better than the traditional courses in its educational value, yet highly biased for preparing students for college chemistry courses. (PS)

Saccharin Derivative Synthesis via [1,3] Thermal Sigmatropic Rearrangement: A Multistep Organic Chemistry Experiment for Undergraduate Students

Science.gov (United States)

Fonseca, Custódia S. C.

2016-01-01

Saccharin (1,2-benzisothiazole-3-one 1,1-dioxide) is an artificial sweetener used in the food industry. It is a cheap and easily available organic compound that may be used in organic chemistry laboratory classes for the synthesis of related heterocyclic compounds and as a derivatizing agent. In this work, saccharin is used as a starting material…

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

Science.gov (United States)

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

2014-01-01

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

Organic Chemistry Students' Fragmented Ideas about the Structure and Function of Nucleophiles and Electrophiles: A Concept Map Analysis

Science.gov (United States)

Anzovino, Mary E.; Bretz, Stacey Lowery

2016-01-01

Organic chemistry students struggle with multiple aspects of reaction mechanisms and the curved arrow notation used by organic chemists. Many faculty believe that an understanding of nucleophiles and electrophiles, among other concepts, is required before students can develop fluency with the electronpushing formalism (EPF). An expert concept map…

BIO-ORGANIC CHEMISTRY QUARTERLY REPORT. December 1962 throughFebruary 1963

Energy Technology Data Exchange (ETDEWEB)

Various

1963-03-29

This report covers the following titles: (1) A versatile solvent to replace phenol for the paper chromatography of radioactive intermediary metabolites; (2) Chromatography of plant lipids on alumina paper; (3) Quinone and pigment composition of chloroplasts and quantasomes from Spinacea oleracea; (4) The lipid composition of chloroplast lamellae from Spinacea oleracea; (5) Metal chelates and photochemistry of flavins; (6) Photoinduced ESR in some solutions of organic electron donors and acceptors; (7) Fluorescence of oriented dye-macromolecule complexes--Theoretical study; (8) Formation of adenine by electron irradiation of methane, ammonia, and water; (9) Uptake of organic compounds by planarians; (10) The planaria: Absorption spectrum, cell disaggregation, and studies on homogenates.

Annual report 1983 Chemistry Department

International Nuclear Information System (INIS)

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

1984-05-01

This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1983 are presented. The facilities and equipment are barely mentioned. The activities are divided into nine groups: 1. radioisotope chemistry 2. analytical- and organic chemistry 3. environmental chemistry 4. polymer chemistry 5. geochemistry and waste disposal 6. radical chemstry 7. positron annihilation 8. mineral processing 9. general. (author)

Structure Determination of Unknown Organic Liquids Using NMR and IR Spectroscopy: A General Chemistry Laboratory

Science.gov (United States)

Pavel, John T.; Hyde, Erin C.; Bruch, Martha D.

2012-01-01

This experiment introduced general chemistry students to the basic concepts of organic structures and to the power of spectroscopic methods for structure determination. Students employed a combination of IR and NMR spectroscopy to perform de novo structure determination of unknown alcohols, without being provided with a list of possible…

Transforming the Organic Chemistry Lab Experience: Design, Implementation, and Evaluation of Reformed Experimental Activities--REActivities

Science.gov (United States)

Collison, Christina G.; Kim, Thomas; Cody, Jeremy; Anderson, Jason; Edelbach, Brian; Marmor, William; Kipsang, Rodgers; Ayotte, Charles; Saviola, Daniel; Niziol, Justin

2018-01-01

Reformed experimental activities (REActivities) are an innovative approach to the delivery of the traditional material in an undergraduate organic chemistry laboratory. A description of the design and implementation of REActivities at both a four- and two-year institution is discussed. The results obtained using a reformed teaching observational…

Teaching and learning distillation in chemistry laboratory courses

Science.gov (United States)

van Keulen, Hanno; Mulder, Theo H. M.; Goedhart, Martin J.; Verdonk, Adri H.

This study investigates the problems chemistry majors have with learning distillation in traditional chemistry laboratory courses. Using an interpretive cyclic research design, we collected and interpreted data, mainly in the form of observation notes and transcriptions of the discourse that takes place during laboratory courses. It was found that students experience numerous problems; these are described and interpreted. We summarize students' problems in four categories: (a) students use an independent component conception; (b) they have insufficient understanding of the properties of vapor; (c) they regard distillation from a physical point of view; and (d) they do not have a practical understanding of thermodynamics. The main origin of these problems was found to lie with the traditional curriculum structure. Lecture courses and textbooks treat distillation in a generalized and decontextualized way, whereas decisions in actual distillations are always based on contextual features. It was found that textbooks and teachers often do not discriminate carefully and explicitly among five different contexts for distillation: organic synthesis, chemical analysis, analytical chemistry, physical chemistry, and preparation of products. Students take the generalized concepts at face value and apply them to all distillations regardless of context. They cannot interpret their observations or make reasoned decisions based on the theoretical framework of a specific context.Received: 2 May 1994; Revised: 14 December 1994;

Wilson and Gisvold's textbook of organic medicinal and pharmaceutical chemistry

National Research Council Canada - National Science Library

Wilson, Charles Owens; Beale, John Marlowe; Block, John H

2011-01-01

... and chemistry students as well as practicing pharmacists. Fully updated for the Twelfth Edition, the book begins with the fundamental principles of chemistry, biochemistry, and biology that underlie the discipline of medicinal chemistry...

Organic chemistry in Titan's atmosphere

Science.gov (United States)

Scattergood, T.

1982-01-01

Laboratory photochemical simulations and other types of chemical simulations are discussed. The chemistry of methane, which is the major known constituent of Titan's atmosphere was examined with stress on what can be learned from photochemistry and particle irradiation. The composition of dust that comprises the haze layer was determined. Isotope fractionation in planetary atmospheres is also discussed.

The Isolation of Rubber from Milkweed Leaves. An Introductory Organic Chemistry Lab

Science.gov (United States)

Volaric, Lisa; Hagen, John P.

2002-01-01

We present an introductory organic chemistry lab in which students isolate rubber from the leaves of milkweed plants (Asclepias syriaca). Students isolated rubber with a recovery of 2.4 ± 1.8% and 1.8 ± 0.7% for the microscale and macroscale procedures, respectively. Infrared spectra of their products were compared with the spectrum of synthetic rubber, cis-polyisoprene. Students tested for elasticity of their product by twisting it on a spatula and pulling; all students found some degree of elasticity.

Migration chemistry

International Nuclear Information System (INIS)

Carlsen, L.

1992-05-01

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

Theoretical models of DNA flexibility

Czech Academy of Sciences Publication Activity Database

Dršata, Tomáš; Lankaš, Filip

2013-01-01

Roč. 3, č. 4 (2013), s. 355-363 ISSN 1759-0876 Institutional support: RVO:61388963 Keywords : molecular dynamics simulations * base pair level * indirect readout Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 9.041, year: 2013

Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: A tutorial review. Part I. Theoretical considerations

Energy Technology Data Exchange (ETDEWEB)

Leclercq, Amélie, E-mail: amelie.leclercq@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Nonell, Anthony, E-mail: anthony.nonell@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Todolí Torró, José Luis, E-mail: jose.todoli@ua.es [Universidad de Alicante, Departamento de Quimica Analitica, Nutricion y Bromatología, Ap. de Correos, 99, 03080 Alicante (Spain); Bresson, Carole, E-mail: carole.bresson@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Vio, Laurent, E-mail: laurent.vio@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Vercouter, Thomas, E-mail: thomas.vercouter@cea.fr [CEA Saclay, DEN, DANS, DPC, SEARS, Laboratoire de développement Analytique Nucléaire Isotopique et Elémentaire, 91191 Gif-sur-Yvette (France); Chartier, Frédéric, E-mail: frederic.chartier@cea.fr [CEA Saclay, DEN, DANS, DPC, 91191 Gif-sur-Yvette (France)

2015-07-23

Highlights: • Tutorial review addressed to beginners or more experienced analysts. • Theoretical background of effects caused by organic matrices on ICP techniques. • Spatial distribution of carbon species and analytes in plasma. • Carbon spectroscopic and non-spectroscopic interferences in ICP. - Abstract: Due to their outstanding analytical performances, inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are widely used for multi-elemental measurements and also for isotopic characterization in the case of ICP-MS. While most studies are carried out in aqueous matrices, applications involving organic/hydro-organic matrices become increasingly widespread. This kind of matrices is introduced in ICP based instruments when classical “matrix removal” approaches such as acid digestion or extraction procedures cannot be implemented. Due to the physico-chemical properties of organic/hydro-organic matrices and their associated effects on instrumentation and analytical performances, their introduction into ICP sources is particularly challenging and has become a full topic. In this framework, numerous theoretical and phenomenological studies of these effects have been performed in the past, mainly by ICP-OES, while recent literature is more focused on applications and associated instrumental developments. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP-OES and ICP-MS. The present Part I, provides theoretical considerations in connection with the physico-chemical properties of organic/hydro-organic matrices, in order to better understand the induced phenomena. This focal point is divided in four chapters highlighting: (i) the impact of organic/hydro-organic matrices from aerosol generation to atomization/excitation/ionization processes; (ii) the production of carbon molecular constituents and their spatial distribution in the

Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: A tutorial review. Part I. Theoretical considerations

International Nuclear Information System (INIS)

Leclercq, Amélie; Nonell, Anthony; Todolí Torró, José Luis; Bresson, Carole; Vio, Laurent; Vercouter, Thomas; Chartier, Frédéric

2015-01-01

Highlights: • Tutorial review addressed to beginners or more experienced analysts. • Theoretical background of effects caused by organic matrices on ICP techniques. • Spatial distribution of carbon species and analytes in plasma. • Carbon spectroscopic and non-spectroscopic interferences in ICP. - Abstract: Due to their outstanding analytical performances, inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are widely used for multi-elemental measurements and also for isotopic characterization in the case of ICP-MS. While most studies are carried out in aqueous matrices, applications involving organic/hydro-organic matrices become increasingly widespread. This kind of matrices is introduced in ICP based instruments when classical “matrix removal” approaches such as acid digestion or extraction procedures cannot be implemented. Due to the physico-chemical properties of organic/hydro-organic matrices and their associated effects on instrumentation and analytical performances, their introduction into ICP sources is particularly challenging and has become a full topic. In this framework, numerous theoretical and phenomenological studies of these effects have been performed in the past, mainly by ICP-OES, while recent literature is more focused on applications and associated instrumental developments. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP-OES and ICP-MS. The present Part I, provides theoretical considerations in connection with the physico-chemical properties of organic/hydro-organic matrices, in order to better understand the induced phenomena. This focal point is divided in four chapters highlighting: (i) the impact of organic/hydro-organic matrices from aerosol generation to atomization/excitation/ionization processes; (ii) the production of carbon molecular constituents and their spatial distribution in the

Oxidation of organics in water in microfluidic electrochemical reactors: Theoretical model and experiments

International Nuclear Information System (INIS)

Scialdone, Onofrio; Guarisco, Chiara; Galia, Alessandro

2011-01-01

The electrochemical oxidation of organics in water performed in micro reactors on boron doped diamond (BDD) anode was investigated both theoretically and experimentally in order to find the influence of various operative parameters on the conversion and the current efficiency CE of the process. The electrochemical oxidation of formic acid (FA) was selected as a model case. High conversions for a single passage of the electrolytic solution inside the cell were obtained by operating with proper residence times and low distances between cathode and anode. The effect of initial concentration, flow rate and current density was investigated in detail. Theoretical predictions were in very good agreement with experimental results for both mass transfer control, oxidation reaction control and mixed kinetic regimes in spite of the fact that no adjustable parameters was used. Mass transfer process was successfully modelled by considering for simplicity a constant Sh number (e.g., a constant mass transfer coefficient k m ) for a process performed with no high values of the current intensity to minimize the effect of the gas bubbling on the flowdynamic pattern. For mixed kinetic regimes, two different modelling approaches were used. In the first one, the oxidation of organics at BDD was assumed to be mass transfer controlled and to occur with an intrinsic 100% CE when applied current density is higher than the limiting current density. In the second case, the CE of the process was modelled assuming that the competition between organic and water oxidation depends only on the electrodic material and on the nature and the concentration of the organic. In the latter case a better agreement between experimental data and theoretical predictions was observed.

Development and Use of Online Prelaboratory Activities in Organic Chemistry to Improve Students' Laboratory Experience

Science.gov (United States)

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

2017-01-01

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.…

Beta,beta-Disilylated Sulfones as Versatile Building Blocks in Organic Chemistry – A New Sulfonyl Carbanion Transmetalation

Czech Academy of Sciences Publication Activity Database

Puget, Bertrand; Jahn, Ullrich

-, č. 17 (2010), s. 2579-2582 ISSN 0936-5214 Institutional research plan: CEZ:AV0Z40550506 Keywords : carbanions * transmetalation * silanes * sulfones * Julia olefination Subject RIV: CC - Organic Chemistry Impact factor: 2.447, year: 2010

Solvent effects in chemistry

CERN Document Server

Buncel, Erwin

2015-01-01

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

Organic carbonates as solvents in macrocyclic Mn(III) salen catalyzed asymmetric epoxidation of non-functionalized olefins

Czech Academy of Sciences Publication Activity Database

Maity, N. Ch.; Rao, G. V. S.; Prathap, Kaniraj Jeya; Abdi, S. H. R.; Kureshy, R. I.; Khan, N. H.; Bajaj, H. C.

2013-01-01

Roč. 366, January (2013), s. 380-389 ISSN 1381-1169 Institutional support: RVO:61388963 Keywords : asymmetric epoxidation * organic carbonate * macrocyclic Mn(III) salen complex Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.679, year: 2013

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

Science.gov (United States)

Ojima, Iwao

2013-07-05

Over the last three decades, my engagement in "fluorine chemistry" has evolved substantially because of the multidisciplinary nature of the research programs. I began my research career as a synthetic chemist in organometallic chemistry and homogeneous catalysis directed toward organic synthesis. Then, I was brought into a very unique world of "fluorine chemistry" in the end of 1970s. I started exploring the interface of fluorine chemistry and transition metal homogeneous catalysis first, which was followed by amino acids, peptides, and peptidomimetics for medicinal chemistry. Since then, I have been exploring the interfaces of fluorine chemistry and multidisciplinary fields of research involving medicinal chemistry, chemical biology, cancer biology, and molecular imaging. This perspective intends to cover my fruitful endeavor in the exploration of fluorine chemistry at the multidisciplinary interface of chemistry and biology in a chronological order to show the evolution of my research interest and strategy.

Plasma chemistry and organic synthesis

Science.gov (United States)

Tezuka, M.

1980-01-01

The characteristic features of chemical reactions using low temperature plasmas are described and differentiated from those seen in other reaction systems. A number of examples of applications of plasma chemistry to synthetic reactions are mentioned. The production of amino acids by discharge reactions in hydrocarbon-ammonia-water systems is discussed, and its implications for the origins of life are mentioned.

Let's Face(book) It: Analyzing Interactions in Social Network Groups for Chemistry Learning

Science.gov (United States)

Rap, Shelley; Blonder, Ron

2016-02-01

We examined how social network (SN) groups contribute to the learning of chemistry. The main goal was to determine whether chemistry learning could occur in the group discourse. The emphasis was on groups of students in the 11th and 12th grades who learn chemistry in preparation for their final external examination. A total of 1118 discourse events were tallied in the different groups. We analyzed the different events that were found in chemistry learning Facebook groups (CLFGs). The analysis revealed that seven types of interactions were observed in the CLFGs: The most common interaction (47 %) dealt with organizing learning (e.g., announcements regarding homework, the location of the next class); learning interactions were observed in 22 % of the posts, and links to learning materials and social interactions constituted about 20 % each. The learning events that were ascertained underwent a deeper examination and three different types of chemistry learning interactions were identified. This examination was based on the theoretical framework of the commognitive approach to learning (Sfard in Thinking as communicating. Cambridge University Press, Cambridge, 2008), which will be explained. The identified learning interactions that were observed in the Facebook groups illustrate the potential of SNs to serve as an additional tool for teachers to advance their students' learning of chemistry.

Sorption of Organic Liquids in Poly(ethylene chlorotrifluoroethylene) Halar®901: Experimental and Theoretical Analysis.

Czech Academy of Sciences Publication Activity Database

Randová, A.; Bartovská, L.; Pilnáček, Kryštof; Lanč, M.; Vopička, O.; Matějka, P.; Izák, Pavel; Kárászová, Magda; Macedonio, F.; Figoli, A.; Drioli, E.; Jansen, J.C.; Di Nicolò, E.; Friess, K.

2017-01-01

Roč. 58, APR 1 (2017), s. 199-207 ISSN 0142-9418 R&D Projects: GA MŠk(CZ) LD14094 Institutional support: RVO:67985858 Keywords : organic liquid sorption * poly(ethylene chlorotrifluoroethylene) Halar®901 * sorption-predictive methods Subject RIV: CI - Industrial Chemistry, Chemical Engineering OBOR OECD: Chemical process engineering Impact factor: 2.464, year: 2016

Titan's organic chemistry

Science.gov (United States)

Sagan, C.; Thompson, W. R.; Khare, B. N.

1985-01-01

Voyager discovered nine simple organic molecules in the atmosphere of Titan. Complex organic solids, called tholins, produced by irradiation of the simulated Titanian atmosphere, are consistent with measured properties of Titan from ultraviolet to microwave frequencies and are the likely main constituents of the observed red aerosols. The tholins contain many of the organic building blocks central to life on earth. At least 100-m, and possibly kms thicknesses of complex organics have been produced on Titan during the age of the solar system, and may exist today as submarine deposits beneath an extensive ocean of simple hydrocarbons.

Using Green Chemistry Principles as a Framework to Incorporate Research into the Organic Laboratory Curriculum

Science.gov (United States)

Lee, Nancy E.; Gurney, Rich; Soltzberg, Leonard

2014-01-01

Despite the accepted pedagogical value of integrating research into the laboratory curriculum, this approach has not been widely adopted. The activation barrier to this change is high, especially in organic chemistry, where a large number of students are required to take this course, special glassware or setups may be needed, and dangerous…

Adapting to Student Learning Styles: Engaging Students with Cell Phone Technology in Organic Chemistry Instruction

Science.gov (United States)

Pursell, David P.

2009-01-01

Students of organic chemistry traditionally make 3 x 5 in. flash cards to assist learning nomenclature, structures, and reactions. Advances in educational technology have enabled flash cards to be viewed on computers, offering an endless array of drilling and feedback for students. The current generation of students is less inclined to use…

Power plant cycle chemistry - a currently neglected power plant chemistry discipline

International Nuclear Information System (INIS)

Bursik, A.

2005-01-01

Power plant cycle chemistry seems to be a stepchild at both utilities and universities and research organizations. It is felt that other power plant chemistry disciplines are more important. The last International Power Cycle Chemistry Conference in Prague may be cited as an example. A critical review of the papers presented at this conference seems to confirm the above-mentioned statements. This situation is very unsatisfactory and has led to an increasing number of component failures and instances of damage to major cycle components. Optimization of cycle chemistry in fossil power plants undoubtedly results in clear benefits and savings with respect to operating costs. It should be kept in mind that many seemingly important chemistry-related issues lose their importance during forced outages of units practicing faulty plant cycle chemistry. (orig.)

Teaching innovation in organic chemistry: An inquiry into what happens when the lecturer stops lecturing

Science.gov (United States)

Bauer, Richard Charles

1998-12-01

In this dissertation the author presents findings from a study of an organic chemistry class in which the instructor changed his mode of content delivery. Instead of using a traditional lecture, the professor engaged students in discussions about chemical behavior, required students to complete cooperative learning activities in and out of class, and altered his examination format. The purpose of the research was to investigate the implementation of the changes made in content delivery, describe subsequent classroom interactions, and discuss participant responses to the innovations. Because of the research focus the author used a qualitative methodology to investigate this unique organic chemistry course. The study showed that the instructor's belief system and skills played an important role in overcoming barriers to implementation. Analysis of class transcripts revealed that the class was highly interactive with students freely offering responses to the instructor's questions and sometimes submitting insightful comments. The discussion format of the class also revealed some student misunderstanding that other teaching structures may not have identified. In general the instructor was able to pursue some concepts in more depth than allowed by a typical lecture mode of content delivery. Analysis of class transcripts also showed characteristics of organic chemistry teaching by Prof. Loudon that might be described as exemplary. He focused student attention on molecular structure and the chemical behavioral patterns that emerge from organic compounds that are structurally similar. Student response to Prof. Loudon's teaching style was quite favorable. A common remark from students was that his personal knowledge of them contributed to their class preparation and desire to learn. In general, students appreciated the opportunity to discuss exam questions in their groups before individual exam administration. On the final course evaluation, however, a couple students

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

OpenAIRE

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

2011-01-01

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

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...

Prebiotic chemistry - Lecture 2

International Nuclear Information System (INIS)

Ponnamperuma, C.

1992-01-01

The nucleic acids and proteins are at the basis of all life. The energy source on the primitive earth acting on the earth's early atmosphere are believed to have produced all the molecules necessary for life. Laboratory experiments over the last four decades have clearly established the prebiotic synthesis of these components, amino acids, purines, pyrimidines, carbohydrates. The mechanisms of polymerization have also been outlined. We thus have a sequence from atoms to small molecules to the large molecules which are necessary for the emergence of life. The analysis of meteorites has given us fresh evidence that these reactions which we have presumed to have taken place on the primitive earth may have also occurred in the early solar system. The analysis of carbonaceous chondrites has given us unmistakable evidence for the presence of these molecules in outer space. Recent observational and theoretical studies have also pointed out that comets may be the location for prebiotic reactions and may also have contributed to organic matter on the primitive earth. The radio astronomers studying interstellar media have also provided us with ample evidence that there are a large number of organic molecules in interstellar space. Organic chemistry appears to be commonplace in the universe. (author)

Aerobic Alcohol Oxidation Using a Copper(I)/TEMPO Catalyst System: A Green, Catalytic Oxidation Reaction for the Undergraduate Organic Chemistry Laboratory

Science.gov (United States)

Hill, Nicholas J.; Hoover, Jessica M.; Stahl, Shannon S.

2013-01-01

Modern undergraduate organic chemistry textbooks provide detailed discussion of stoichiometric Cr- and Mn-based reagents for the oxidation of alcohols, yet the use of such oxidants in instructional and research laboratories, as well as industrial chemistry, is increasingly avoided. This work describes a laboratory exercise that uses ambient air as…

Modern trends in theoretical radiation chemistry development

International Nuclear Information System (INIS)

Kaplan, I.G.

1983-01-01

Most important trends in the development of radiation chemitry theory are considered. Wide use of electronic computers for modeling different stages of radiolysis in conjUnction with advanced precision experimental methods (picosecond pulse radiolysis, acceptor additions method, magnetic method of detecting interstitial active particles) is noted. Information obtained in photochemistry and molecular spectroscopy, including laser photolysis, is in common use in developing the theory. It is noted that data on the processes occurring within less than 10 -12 s time can be obtained now only on the base of theoretical representations about the mechanism of ionizing irradiation interaction with molecular medium. Therefore, special attention in the review is paid to investigation of primary radiolysis processes. Besides investigation of primary medium excitation processes theoretical investigations into the ways of energy degradation, knocked out electrons and their further state are continued. It is noted that a considerable number of papers deal with the nature and behaviour of radiation-induced excess electrons in non-polar solutions and solid matrices. Works on application of diffusion kinetics in radiolysis have been developed in recent years

Multi-scale theoretical investigation of hydrogen storage in covalent organic frameworks.

Science.gov (United States)

Tylianakis, Emmanuel; Klontzas, Emmanouel; Froudakis, George E

2011-03-01

The quest for efficient hydrogen storage materials has been the limiting step towards the commercialization of hydrogen as an energy carrier and has attracted a lot of attention from the scientific community. Sophisticated multi-scale theoretical techniques have been considered as a valuable tool for the prediction of materials storage properties. Such techniques have also been used for the investigation of hydrogen storage in a novel category of porous materials known as Covalent Organic Frameworks (COFs). These framework materials are consisted of light elements and are characterized by exceptional physicochemical properties such as large surface areas and pore volumes. Combinations of ab initio, Molecular Dynamics (MD) and Grand Canonical Monte-Carlo (GCMC) calculations have been performed to investigate the hydrogen adsorption in these ultra-light materials. The purpose of the present review is to summarize the theoretical hydrogen storage studies that have been published after the discovery of COFs. Experimental and theoretical studies have proven that COFs have comparable or better hydrogen storage abilities than other competitive materials such as MOF. The key factors that can lead to the improvement of the hydrogen storage properties of COFs are highlighted, accompanied with some recently presented theoretical multi-scale studies concerning these factors.

Electron-triggered chemistry in HNO3/H2O complexes

Czech Academy of Sciences Publication Activity Database

Lengyel, Jozef; Ončák, M.; Fedor, Juraj; Kočišek, Jaroslav; Pysanenko, Andriy; Beyer, M. K.; Fárník, Michal

2017-01-01

Roč. 19, č. 19 (2017), s. 11753-11758 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA15-12386S Institutional support: RVO:61388955 Keywords : electron-triggered chemistry * acid-water clusters * gas-phase reactions Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.123, year: 2016

Organic Chemistry in Interstellar Ices: Connection to the Comet Halley Results

Science.gov (United States)

Schutte, W. A.; Agarwal, V. K.; deGroot, M. S.; Greenberg, J. M.; McCain, P.; Ferris, J. P.; Briggs, R.

1997-01-01

Mass spectroscopic measurements on the gas and dust in the coma of Comet Halley revealed the presence of considerable amounts of organic species. Greenberg (1973) proposed that prior to the formation of the comet UV processing of the ice mantles on grains in dense clouds could lead to the formation of complex organic molecules. Theoretical predictions of the internal UV field in dense clouds as well as the discovery in interstellar ices of species like OCS and OCN- which have been formed in simulation experiments by photoprocessing of interstellar ice analogues point to the importance of such processing. We undertook a laboratory simulation study of the formation of organic molecules in interstellar ices and their possible relevance to the Comet Halley results.

Physical Chemistry Chemical Kinetics and Reaction Mechanism

CERN Document Server

Trimm, Harold H

2011-01-01

Physical chemistry covers diverse topics, from biochemistry to materials properties to the development of quantum computers. Physical chemistry applies physics and math to problems that interest chemists, biologists, and engineers. Physical chemists use theoretical constructs and mathematical computations to understand chemical properties and describe the behavior of molecular and condensed matter. Their work involves manipulations of data as well as materials. Physical chemistry entails extensive work with sophisticated instrumentation and equipment as well as state-of-the-art computers. This

Coal-related research, organic chemistry, and catalysis

International Nuclear Information System (INIS)

Anon.

1980-01-01

Coal chemistry research topics included: H exchange at 400 0 C, breaking C-C bonds in coal, molecular weight estimation using small-angle neutron scattering, 13 C NMR spectra of coals, and tunneling during H/D isotope effects. Studies of coal conversion chemistry included thermolysis of bibenzyl and 1-naphthol, heating of coals in phenol, advanced indirect liquefaction based on Koelbel slurry Fischer-Tropsch reactor, and plasma oxidation of coal minerals. Reactions of PAHs in molten SbCl 3 , a hydrocracking catalyst, were studied. Finally, heterogeneous catalysis (desulfurization etc.) was studied using Cu, Au, and Ni surfaces. 7 figures, 6 tables

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity.

Science.gov (United States)

Domingo, Luis R; Ríos-Gutiérrez, Mar; Pérez, Patricia

2016-06-09

Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical potential μ, the electrophilicity ω and the nucleophilicity N indices, and local condensed indices like the electrophilic P k + and nucleophilic P k - Parr functions, as the most relevant indices for the study of organic reactivity, are discussed.

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

Science.gov (United States)

Geiger, H. Cristina; Donohoe, James S.

2012-01-01

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

Human development VIII: a theory of "deep" quantum chemistry and cell consciousness: quantum chemistry controls genes and biochemistry to give cells and higher organisms consciousness and complex behavior.

Science.gov (United States)

Ventegodt, Søren; Hermansen, Tyge Dahl; Flensborg-Madsen, Trine; Nielsen, Maj Lyck; Merrick, Joav

2006-11-14

Deep quantum chemistry is a theory of deeply structured quantum fields carrying the biological information of the cell, making it able to remember, intend, represent the inner and outer world for comparison, understand what it "sees", and make choices on its structure, form, behavior and division. We suggest that deep quantum chemistry gives the cell consciousness and all the qualities and abilities related to consciousness. We use geometric symbolism, which is a pre-mathematical and philosophical approach to problems that cannot yet be handled mathematically. Using Occam's razor we have started with the simplest model that works; we presume this to be a many-dimensional, spiral fractal. We suggest that all the electrons of the large biological molecules' orbitals make one huge "cell-orbital", which is structured according to the spiral fractal nature of quantum fields. Consciousness of single cells, multi cellular structures as e.g. organs, multi-cellular organisms and multi-individual colonies (like ants) and human societies can thus be explained by deep quantum chemistry. When biochemical activity is strictly controlled by the quantum-mechanical super-orbital of the cell, this orbital can deliver energetic quanta as biological information, distributed through many fractal levels of the cell to guide form and behavior of an individual single or a multi-cellular organism. The top level of information is the consciousness of the cell or organism, which controls all the biochemical processes. By this speculative work inspired by Penrose and Hameroff we hope to inspire other researchers to formulate more strict and mathematically correct hypothesis on the complex and coherence nature of matter, life and consciousness.

Reaction chemistry of cerium

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-01-01

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.

Electron-triggered chemistry in HNO3/H2O complexes

Czech Academy of Sciences Publication Activity Database

Lengyel, Jozef; Ončák, M.; Fedor, Juraj; Kočišek, Jaroslav; Pysanenko, Andriy; Beyer, M. K.; Fárník, Michal

2017-01-01

Roč. 19, č. 19 (2017), s. 11753-11758 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA15-12386S Institutional support: RVO:61388955 Keywords : electron-triggered chemistry * acid-water clusters * gas-phase reaction s Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.123, year: 2016

Organized Mesoporous Alumina: Synthesis, Structure and Potential in Catalysis

Czech Academy of Sciences Publication Activity Database

Čejka, Jiří

2003-01-01

Roč. 254, - (2003), s. 327-338 ISSN 0926-860X R&D Projects: GA AV ČR IAA4040001; GA ČR GA104/02/0571; GA MŠk ME 404 Institutional research plan: CEZ:AV0Z4040901 Keywords : organized mesoporous alumina * mesoporous molecular sieves * synthesis Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.825, year: 2003

Effectiveness of E-Content Package on Teaching IUPAC Nomenclature of Organic Chemistry at Undergraduate Level

Science.gov (United States)

Devendiran, G.; Vakkil, M.

2017-01-01

This study attempts to discover the effectiveness of an e-content package when teaching IUPAC nomenclature of organic chemistry at the undergraduate level. The study consisted of a Pre-test-Post-test Non Equivalent Groups Design, and the sample of 71 (n = 71) students were drawn from two colleges. The overall study was divided into two groups, an…

Organic carbamates in drug design and medicinal chemistry.

Science.gov (United States)

Ghosh, Arun K; Brindisi, Margherita

2015-04-09

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

The Cyclohexanol Cycle and Synthesis of Nylon 6,6: Green Chemistry in the Undergraduate Organic Laboratory

Science.gov (United States)

Dintzner, Matthew R.; Kinzie, Charles R.; Pulkrabek, Kimberly; Arena, Anthony F.

2012-01-01

A one-term synthesis project that incorporates many of the principles of green chemistry is presented for the undergraduate organic laboratory. In this multistep scheme of reactions, students react, recycle, and ultimately convert cyclohexanol to nylon 6,6. The individual reactions in the project employ environmentally friendly methodologies, and…

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

Directory of Open Access Journals (Sweden)

Marek Tobiszewski

2015-06-01

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.

Green Chemistry Metrics with Special Reference to Green Analytical Chemistry.

Science.gov (United States)

Tobiszewski, Marek; Marć, Mariusz; Gałuszka, Agnieszka; Namieśnik, Jacek

2015-06-12

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.

Nickel-Catalyzed Suzuki-Miyaura Cross-Coupling in a Green Alcohol Solvent for an Undergraduate Organic Chemistry Laboratory

Science.gov (United States)

Hie, Liana; Chang, Jonah J.; Garg, Neil K.

2015-01-01

A modern undergraduate organic chemistry laboratory experiment involving the Suzuki-Miyaura coupling is reported. Although Suzuki-Miyaura couplings typically employ palladium catalysts in environmentally harmful solvents, this experiment features the use of inexpensive nickel catalysis, in addition to a "green" alcohol solvent. The…

Integration of Computational Chemistry into the Undergraduate Organic Chemistry Laboratory Curriculum

Science.gov (United States)

Esselman, Brian J.; Hill, Nicholas J.

2016-01-01

Advances in software and hardware have promoted the use of computational chemistry in all branches of chemical research to probe important chemical concepts and to support experimentation. Consequently, it has become imperative that students in the modern undergraduate curriculum become adept at performing simple calculations using computational…

Secondary organic aerosol formation from semi- and intermediate-volatility organic compounds and glyoxal: Relevance of O/C as a tracer for aqueous multiphase chemistry

Science.gov (United States)

Waxman, Eleanor M.; Dzepina, Katja; Ervens, Barbara; Lee-Taylor, Julia; Aumont, Bernard; Jimenez, Jose L.; Madronich, Sasha; Volkamer, Rainer

2013-03-01

The role of aqueous multiphase chemistry in the formation of secondary organic aerosol (SOA) remains difficult to quantify. We investigate it here by testing the rapid formation of moderate oxygen-to-carbon (O/C) SOA during a case study in Mexico City. A novel laboratory-based glyoxal-SOA mechanism is applied to the field data, and explains why less gas-phase glyoxal mass is observed than predicted. Furthermore, we compare an explicit gas-phase chemical mechanism for SOA formation from semi- and intermediate-volatility organic compounds (S/IVOCs) with empirical parameterizations of S/IVOC aging. The mechanism representing our current understanding of chemical kinetics of S/IVOC oxidation combined with traditional SOA sources and mixing of background SOA underestimates the observed O/C by a factor of two at noon. Inclusion of glyoxal-SOA with O/C of 1.5 brings O/C predictions within measurement uncertainty, suggesting that field observations can be reconciled on reasonable time scales using laboratory-based empirical relationships for aqueous chemistry.

PHYS: Division of Physical Chemistry 258 - Properties and Origins of Cometary and Asteroidal Organic Matter Delivered to the Early Earth

Science.gov (United States)

Messenger, Scott; Nguyen, Ann

2017-01-01

Comets and asteroids may have contributed much of the Earth's water and organic matter. The Earth accretes approximately 4x10(exp 7) Kg of dust and meteorites from these sources every year. The least altered meteorites contain complex assemblages of organic compounds and abundant hydrated minerals. These carbonaceous chondrite meteorites probably derive from asteroids that underwent hydrothermal processing within the first few million years after their accretion. Meteorite organics show isotopic and chemical signatures of low-T ion-molecule and grain-surface chemistry and photolysis of icy grains that occurred in cold molecular clouds and the outer protoplanetary disk. These signatures have been overprinted by aqueously mediated chemistry in asteroid parent bodies, forming amino acids and other prebiotic molecules. Comets are much richer in organic matter but it is less well characterized. Comet dust collected in the stratosphere shows larger H and N isotopic anomalies than most meteorites, suggesting better preservation of primordial organics. Rosetta studies of comet 67P coma dust find complex organic matter that may be related to the macromolecular material that dominates the organic inventory of primitive meteorites. The exogenous organic material accreting on Earth throughout its history is made up of thousands of molecular species formed in diverse processes ranging from circumstellar outflows to chemistry at near absolute zero in dark cloud cores and the formative environment within minor planets. NASA and JAXA are currently flying sample return missions to primitive, potentially organic-rich asteroids. The OSIRIS-REx and Hayabusa2 missions will map their target asteroids, Bennu and Ryugu, in detail and return regolith samples to Earth. Laboratory analyses of these pristine asteroid samples will provide unprecedented views of asteroidal organic matter relatively free of terrestrial contamination within well determined geological context. Studies of

Atmospheric chemistry and climate

OpenAIRE

Satheesh, SK

2012-01-01

Atmospheric chemistry is a branch of atmospheric science where major focus is the composition of the Earth's atmosphere. Knowledge of atmospheric composition is essential due to its interaction with (solar and terrestrial) radiation and interactions of atmospheric species (gaseous and particulate matter) with living organisms. Since atmospheric chemistry covers a vast range of topics, in this article the focus is on the chemistry of atmospheric aerosols with special emphasis on the Indian reg...

Ethers on Si(001): A prime example for the common ground between surface science and molecular organic chemistry

KAUST Repository

Pecher, Lisa

2017-09-15

Using computational chemistry, we show that the adsorption of ether molecules on Si(001) under ultra-high vacuum conditions can be understood with textbook organic chemistry. The two-step reaction mechanism of (1) dative bond formation between the ether oxygen and a Lewis acidic surface atom and (2) a nucleophilic attack of a nearby Lewis basic surface atom is analysed in detail and found to mirror the acid-catalysed ether cleavage in solution. The O-Si dative bond is found to be the strongest of its kind and reactivity from this state defies the Bell-Evans-Polanyi principle. Electron rearrangement during the C-O bond cleavage is visualized using a newly developed bonding analysis method, which shows that the mechanism of nucleophilic substitutions on semiconductor surfaces is identical to molecular chemistry SN2 reactions. Our findings thus illustrate how the fields of surface science and molecular chemistry can mutually benefit and unexpected insight can be gained.

Ethers on Si(001): A prime example for the common ground between surface science and molecular organic chemistry

KAUST Repository

Pecher, Lisa; Laref, Slimane; Raupach, Marc; Tonner, Ralf Ewald

2017-01-01

Using computational chemistry, we show that the adsorption of ether molecules on Si(001) under ultra-high vacuum conditions can be understood with textbook organic chemistry. The two-step reaction mechanism of (1) dative bond formation between the ether oxygen and a Lewis acidic surface atom and (2) a nucleophilic attack of a nearby Lewis basic surface atom is analysed in detail and found to mirror the acid-catalysed ether cleavage in solution. The O-Si dative bond is found to be the strongest of its kind and reactivity from this state defies the Bell-Evans-Polanyi principle. Electron rearrangement during the C-O bond cleavage is visualized using a newly developed bonding analysis method, which shows that the mechanism of nucleophilic substitutions on semiconductor surfaces is identical to molecular chemistry SN2 reactions. Our findings thus illustrate how the fields of surface science and molecular chemistry can mutually benefit and unexpected insight can be gained.

Synthesis, crystal structure, vibrational spectra and theoretical calculations of quantum chemistry of a potential antimicrobial Meldrum's acid derivative

Science.gov (United States)

Campelo, M. J. M.; Freire, P. T. C.; Mendes Filho, J.; de Toledo, T. A.; Teixeira, A. M. R.; da Silva, L. E.; Bento, R. R. F.; Faria, J. L. B.; Pizani, P. S.; Gusmão, G. O. M.; Coutinho, H. D. M.; Oliveira, M. T. A.

2017-10-01

A new derivative of Meldrum's acid 5-((5-chloropyridin-2-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CYMM) of molecular formula C12H11ClN2O4 was synthesized and structurally characterized using single crystal X-ray diffraction technique. The vibrational properties of the crystal were studied by Fourier Transform infrared (FT-IR), Fourier Transform Raman (FT-Raman) techniques and theoretical calculations of quantum chemistry using Density functional theory (DFT) and Density functional perturbation theory (DFPT). A comparison with experimental spectra allowed the assignment of all the normal modes. The descriptions of the normal modes were carried by means of potential energy distribution (PED). Additionally, analysis of the antimicrobial activity and antibiotic resistance modulatory activity was carried out to evaluate the antibacterial potential of the CYMM.

Physical-chemical processes of astrophysical interest: nitrogen chemistry

International Nuclear Information System (INIS)

Loison, Jean-Christophe; Hickson, Kevin; Hily-Blant, Pierre; Faure, Alexandre; Vuitton, Veronique; Bacmann, A.; Maret, Sebastien; Legal, Romane; Rist, Claire; Roncero, Octavio; Larregaray, Pascal; Hochlaf, Majdi; Senent, M. L.; Capron, Michael; Biennier, Ludovic; Carles, Sophie; Bourgalais, Jeremy; Le Picard, Sebastien; Cordier, Daniel; Guillemin, Jean-Claude; Trolez, Yann; Bertin, M.; Poderoso, H.A.M.; Michaut, X.; Jeseck, P.; Philippe, L.; Fillion, J.H.; Fayolle, E.C.; Linnartz, H.; Romanzin, C.; Oeberg, K.I.; Roueff, Evelyne; Pagani, Laurent; Padovani, Marco; Wakelam, Veronique; Honvault, Beatrice; Zvereva-Loete, Natalia; Ouk, Chanda-Malis; Scribano, Yohann; Hartmann, J.M.; Pineau des Forets, Guillaume; Hernandez, Mario; Lique, Francois; Kalugina, Yulia N.; Stoecklin, T.; Hochlaf, M.; Crespos, C.; Larregaray, P.; Martin-Gondre, L.; Petuya, R.; Quintas Sanchez, E.L.; Zanchet, Alexandre; Rodriguez-Lazcano, Yamilet; Mate, Belen

2013-06-01

This document contains the programme and abstracts of contributions to a workshop on nitrogen chemistry within an astrophysical perspective. These contributions have been presented in sessions: Introduction (opening lecture, experimental approaches to molecular astrophysics, theoretical approaches to astrophysics, observations in molecular astrophysics), Physical-chemical theory of the gas phase (time-dependent approach in elementary activity, statistic approach in elementary activity in the case of the N+H_2 reaction, potential energy surfaces for inelastic and reactive collisions, collision rate for N_2H"+, ortho/para selection rules in the chemistry of nitrogen hydrides, cyanides/iso-cyanides excitation in the ISM, CN excitation, radiative association with N_2H as new interstellar anion, ro-vibratory excitation of HCN) Laboratory astrophysics (measurement of reaction products in the CRESUSOL project, reactivity of the CN- anion, N_2 photo-desorption in ices, CRESU study of nitrogen chemistry, chemistry of nitrogen complex molecules), Observations and chemistry of astrophysical media (the problem of interstellar nitrogen fractioning, abundance of N_2 in proto-stellar cores, HNC in Titan atmosphere and nitrogen-related mechanisms in hot Jupiters, HCN and HNC in dark clouds or how theoretical modelling helps in interpreting observations, nitrogen chemistry in cold clouds, deuteration of nitrogen hydrides, nitrogen in interstellar ices, biochemical molecules on Titan, coupling between excitation and chemistry, radiative transfer of nitrogen hydrides, ortho/para chemistry of nitrogen hydrides), Physical-chemical theory of gas-grain interactions (nitrogen reactivity on surfaces, IR spectra of ices of NH_3 and NH_3/N_2 mixtures)

An Information-Theoretic-Cluster Visualization for Self-Organizing Maps.

Science.gov (United States)

Brito da Silva, Leonardo Enzo; Wunsch, Donald C

2018-06-01

Improved data visualization will be a significant tool to enhance cluster analysis. In this paper, an information-theoretic-based method for cluster visualization using self-organizing maps (SOMs) is presented. The information-theoretic visualization (IT-vis) has the same structure as the unified distance matrix, but instead of depicting Euclidean distances between adjacent neurons, it displays the similarity between the distributions associated with adjacent neurons. Each SOM neuron has an associated subset of the data set whose cardinality controls the granularity of the IT-vis and with which the first- and second-order statistics are computed and used to estimate their probability density functions. These are used to calculate the similarity measure, based on Renyi's quadratic cross entropy and cross information potential (CIP). The introduced visualizations combine the low computational cost and kernel estimation properties of the representative CIP and the data structure representation of a single-linkage-based grouping algorithm to generate an enhanced SOM-based visualization. The visual quality of the IT-vis is assessed by comparing it with other visualization methods for several real-world and synthetic benchmark data sets. Thus, this paper also contains a significant literature survey. The experiments demonstrate the IT-vis cluster revealing capabilities, in which cluster boundaries are sharply captured. Additionally, the information-theoretic visualizations are used to perform clustering of the SOM. Compared with other methods, IT-vis of large SOMs yielded the best results in this paper, for which the quality of the final partitions was evaluated using external validity indices.

comparative assessment of university chemistry undergraduate

African Journals Online (AJOL)

Temechegn

The areas of chemistry covered are Introductory, Inorganic, Physical, Organic, and Quantum and ... various specialisations like Pure and Applied Chemistry, Analytical ... even engineering disciplines, a degree in chemistry can be the starting point. .... It is also to show the relevance of the instructional methods relative to the.

Students' Understanding of Acids/Bases in Organic Chemistry Contexts

Science.gov (United States)

Cartrette, David P.; Mayo, Provi M.

2011-01-01

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

Japanese management in sport organizations: Reality or theoretical fiction

Directory of Open Access Journals (Sweden)

Nešić Milan

2017-01-01

Full Text Available Modern management is characterized by specific generic context that represents the main developing potential of every organization, as well as the sporting one. Because of that, basic functions of management (planning, organising, leading and control are under constant scrutiny of modern theories of management. Regardless of the historical order of their occurrence, no unique and generally accepted theory exists today. Especially in the context of the problematics that sport management deals with. They evolve, complement one another, and, sometimes, merge. The most commonly used approach is an eclectic one, as a combination of principles from different theories, which is characteristic of new theoretical approaches to management. Although two dominant sport-organizing models have surfaced in the field of sport - the European and American one, one still cannot explicitly speak about the authentic European or American model of sport management. Because of that, consideration and study of different modern management theories, as well as identification of possible 'points' of applicability, become a necessary process that contributes to the development and promotion of sport management theory (and practice. Two theories that this paper treats are Japanese management and 'Z' theory, as orientations for models potentially applicable in sport organizations.

Independent Synthesis Projects in the Organic Chemistry Teaching Laboratories: Bridging the Gap between Student and Researcher

Science.gov (United States)

Keller, Valerie A.; Kendall, Beatrice Lin

2017-01-01

Science educators strive to teach students how to be well-rounded scientists with the ability to problem solve, anticipate errors, and adapt to unexpected roadblocks. Traditional organic chemistry experiments seldom teach these skills, no matter how novel or contemporary the subject material. This paper reports on the success of a quarter-long…

Abstracts of the 26. Brazilian Congress on Chemistry

International Nuclear Information System (INIS)

1985-01-01

It is presented the short communications of papers presented at the 26. Brazilian Congress on Chemistry, of nuclear interest. The papers are classified in four areas: isotope chemistry, organic chemistry, inorganic chemistry and physico-chemical. (E.G.) [pt

Profile of students’ learning styles in Sorogan-Bandongan organic chemistry lecture

Science.gov (United States)

Rinaningsih; Kadarohman, A.; Firman, H.; Sutoyo

2018-05-01

Individual-based independent curriculum as one of target of national education of Indonesia in XXI century can be achieved with the implementation of Sorogan-Bandongan model. This kind of learning model highly facilitates students in understanding various concepts with their own, respective learning styles. This research aims to perceive the effectiveness of Sorogan-Bandongan in increasing the mastery of concept in various learning styles. The samples of this research are students majoring in chemistry amounted to 31 students. Using pre-test and post-test instrument, data are analyzed in descriptive-qualitative method. Based on the result of the data analysis, it is found that 16% of students have mathematical/logical learning style, 22.6% naturalist, 9.7% visual/spatial, 13% kinesthetic, 6% linguistic, 13% intrapersonal, 9.7% interpersonal, and 10% musical. After the implementation of Sorogan-Bandongan model in the Organic Chemistry lectures, improvement of classical learning outcomes as 11,07 is obtained. Six out of eight learning styles of students experienced increase in mastery of concept, where 7 students have the naturalist learning style, 4 students experienced decrease in mastery of concept while 1 student is stagnant (0); meanwhile, 2 out of 4 students that have the interpersonal learning style experienced decrease in mastery of concept.

Electron-induced chemistry in microhydrated sulfuric acid clusters

Czech Academy of Sciences Publication Activity Database

Lengyel, Jozef; Pysanenko, Andriy; Fárník, Michal

2017-01-01

Roč. 17, č. 22 (2017), s. 14171-14180 ISSN 1680-7324 R&D Projects: GA ČR(CZ) GA17-04068S Grant - others:Austrian Science Fund (FWF)(AT) M1983-N34 Institutional support: RVO:61388955 Keywords : induced aerosol formation * particle formation * atmospheric implication Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry

Introduction of organic/hydro-organic matrices in inductively coupled plasma optical emission spectrometry and mass spectrometry: a tutorial review. Part I. Theoretical considerations.

Science.gov (United States)

Leclercq, Amélie; Nonell, Anthony; Todolí Torró, José Luis; Bresson, Carole; Vio, Laurent; Vercouter, Thomas; Chartier, Frédéric

2015-07-23

Due to their outstanding analytical performances, inductively coupled plasma optical emission spectrometry (ICP-OES) and mass spectrometry (ICP-MS) are widely used for multi-elemental measurements and also for isotopic characterization in the case of ICP-MS. While most studies are carried out in aqueous matrices, applications involving organic/hydro-organic matrices become increasingly widespread. This kind of matrices is introduced in ICP based instruments when classical "matrix removal" approaches such as acid digestion or extraction procedures cannot be implemented. Due to the physico-chemical properties of organic/hydro-organic matrices and their associated effects on instrumentation and analytical performances, their introduction into ICP sources is particularly challenging and has become a full topic. In this framework, numerous theoretical and phenomenological studies of these effects have been performed in the past, mainly by ICP-OES, while recent literature is more focused on applications and associated instrumental developments. This tutorial review, divided in two parts, explores the rich literature related to the introduction of organic/hydro-organic matrices in ICP-OES and ICP-MS. The present Part I, provides theoretical considerations in connection with the physico-chemical properties of organic/hydro-organic matrices, in order to better understand the induced phenomena. This focal point is divided in four chapters highlighting: (i) the impact of organic/hydro-organic matrices from aerosol generation to atomization/excitation/ionization processes; (ii) the production of carbon molecular constituents and their spatial distribution in the plasma with respect to analytes repartition; (iii) the subsequent modifications of plasma fundamental properties; and (iv) the resulting spectroscopic and non spectroscopic interferences. This first part of this tutorial review is addressed either to beginners or to more experienced scientists who are interested in the

How Do Organic Chemistry Students Understand and Apply Hydrogen Bonding?

Science.gov (United States)

Henderleiter, J.; Smart, R.; Anderson, J.; Elian, O.

2001-08-01

Students completing a year-long organic chemistry sequence were interviewed to assess how they understood, explained, and applied knowledge of hydrogen bonding to the physical behavior of molecules. Students were asked to define hydrogen bonding and explain situations in which hydrogen bonding could occur. They were asked to predict and explain how hydrogen bonding influences boiling point, the solubility of molecules, and NMR and IR spectra. Results suggest that although students may be able to give appropriate definitions of hydrogen bonding and may recognize when this phenomenon can occur, significant numbers cannot apply their knowledge of hydrogen bonding to physical properties of molecules or to the interpretation of spectral data. Some possess misconceptions concerning boiling points and the ability of molecules to induce hydrogen bonding. Instructional strategies must be adjusted to address these issues.

Gender Fair Efficacy of Concept Mapping Tests in Identifying Students' Difficulties in High School Organic Chemistry

Science.gov (United States)

Gafoor, Kunnathodi Abdul; Shilna, V.

2014-01-01

In view of the perceived difficulty of organic chemistry unit for high schools students, this study examined the usefulness of concept mapping as a testing device to assess students' difficulty in the select areas. Since many tests used for identifying students misconceptions and difficulties in school subjects are observed to favour one or the…

This Mechanistic Step Is ''Productive'': Organic Chemistry Students' Backward-Oriented Reasoning

Science.gov (United States)

Caspari, I.; Weinrich, M. L.; Sevian, H.; Graulich, N.

2018-01-01

If an organic chemistry student explains that she represents a mechanistic step because ''it's a productive part of the mechanism,'' what meaning could the professor teaching the class attribute to this statement, what is actually communicated, and what does it mean for the student? The professor might think that the explanation is based on…

Ion chemistry of some organic molecules studied by field ionization and field desorption mass spectrometry

International Nuclear Information System (INIS)

Greef, J. van der.

1980-01-01

The chemistry of isolated ions in the gas phase is strongly dependent on the internal energy which they have required upon formation. Since also the average lifetime of an ion depends on its internal energy, ion lifetime studies have been employed for many years to obtain a better insight in the relation between the chemistry and internal energy of gas phase ions. A very powerful tool for such studies is the field ionization kinetic (FIK) method, because it can provide a time-resolved picture of decompositions of ions with lifetimes varying from 10 -11 to 10 -5 s. The FIK method has been used in combination with 2 H, 13 C and 15 N labelling for mechanistic studies on the fragmentation of some selected ionised organic molecules. (Auth.)

Inorganic chemistry and medicine

International Nuclear Information System (INIS)

Sadler, P.J.; Guo, Z.

1999-01-01

Inorganic chemistry is beginning to have a major impact on medicine. Not only does it offer the prospect of the discovery of truly novel drugs and diagnostic agents, but it promises to make a major contribution to our understanding of the mechanism of action of organic drugs too. Most of this article is concerned with recent developments in medicinal coordination chemistry. The role of metal organic compounds of platinum, titanium, ruthenium, gallium, bismuth, gold, gadolinium, technetium, silver, cobalt in the treatment or diagnosis of common diseases are briefly are examined

Novel Organic Synthesis through Ultrafast Chemistry.

Science.gov (United States)

Wirth, Thomas

2017-01-16

How fast are flashes? The field of flow chemistry has recently received increasing attention owing to the availability of commercial flow equipment. New syntheses with very short-lived intermediates have been enabled by sub-millisecond mixing and reaction regimes in tailor-made flow devices. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemistry of complexing molecules and environment. Report of the working group of the Cea ''mission environment''; Chimie des complexants en environnements. Rapport du groupe de travail de la mission environnement

Energy Technology Data Exchange (ETDEWEB)

Petit, J C

1998-07-01

The Working group 'Chemistry of Complexing Molecules and Environment' of the Mission Environment (AG/ENV) identified themes for an original positioning of CEA on important issues of environmental research if a sufficiently strong demand appears. The research of CEA on the environment should be complementary to actions undertaken by other partners (official institutions, research organizations and industrial firms). The themes suggested are: the synthesis of new chelating molecules and new materials having specific properties, with the support of theoretical chemistry and modeling, analytical physical chemistry and speciation of species in relation to their eco-toxicity and their biogeochemical mobility in the natural environment. These themes, illustrated by examples of actions in progress at CEA or likely to be launched quickly, draw largely from recognized competences of the teams, generally developed for finalized nuclear applications: experimental, theoretical and instrumental competences. (author)

Organic chemistry as a language and the implications of chemical linguistics for structural and retrosynthetic analyses.

Science.gov (United States)

Cadeddu, Andrea; Wylie, Elizabeth K; Jurczak, Janusz; Wampler-Doty, Matthew; Grzybowski, Bartosz A

2014-07-28

Methods of computational linguistics are used to demonstrate that a natural language such as English and organic chemistry have the same structure in terms of the frequency of, respectively, text fragments and molecular fragments. This quantitative correspondence suggests that it is possible to extend the methods of computational corpus linguistics to the analysis of organic molecules. It is shown that within organic molecules bonds that have highest information content are the ones that 1) define repeat/symmetry subunits and 2) in asymmetric molecules, define the loci of potential retrosynthetic disconnections. Linguistics-based analysis appears well-suited to the analysis of complex structural and reactivity patterns within organic molecules. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Global medicinal chemistry and GPCR conference: interview with Stevan Djuric.

Science.gov (United States)

Djuric, Stevan

2018-04-01

Stevan Djuric speaks to Benjamin Walden, Commissioning Editor. Stevan Djuric is head of the global Medicinal Chemistry Leadership Team at AbbVie and is also Vice President of the Discovery Chemistry and Technology organization within their Discovery organization and chemistry outsourcing activities. He spoke at the Global-Medicinal-Chemistry and GPCR summit on the imperative to develop chemistry related technology that can reduce cycle time, cost of goods and improve probability of success. To this end, he discussed his efforts in the chemistry technology area with a focus on integrated synthesis-purification bioassay, and flow photochemistry and high temperature chemistry platforms.

Application of the principle of supramolecular chemistry in the fields of radiochemistry and radiation chemistry

International Nuclear Information System (INIS)

Shen Xinghai; Chen Qingde; Gao Hongcheng

2008-01-01

Supramolecular chemistry, one of the front fields in chemistry, is defined as 'chemistry beyond the molecule', bearing on the organized entities of higher complexity that result from the association of two or more chemical species held together by intermolecular forces. This article focuses on the application of the principle of supramolecular chemistry in the fields of radiochemistry and radiation chemistry. The following aspects are concerned: (1) the recent progress of supramolecular chemistry; (2) the application of the principle of supramolecular chemistry and the functions of supramolecular system, i.e., recognition, assembly and translocation, in the extraction of nuclides; (3) the application of microemulsion, ionic imprinted polymers, ionic liquids and cloud point extraction in the enrichment of nuclides; (4) the radiation effect of supramolecular systems. (authors)

Human Development VIII: A Theory of “Deep” Quantum Chemistry and Cell Consciousness: Quantum Chemistry Controls Genes and Biochemistry to Give Cells and Higher Organisms Consciousness and Complex Behavior

Directory of Open Access Journals (Sweden)

Søren Ventegodt

2006-01-01

Full Text Available Deep quantum chemistry is a theory of deeply structured quantum fields carrying the biological information of the cell, making it able to remember, intend, represent the inner and outer world for comparison, understand what it “sees”, and make choices on its structure, form, behavior and division. We suggest that deep quantum chemistry gives the cell consciousness and all the qualities and abilities related to consciousness. We use geometric symbolism, which is a pre-mathematical and philosophical approach to problems that cannot yet be handled mathematically. Using Occam’s razor we have started with the simplest model that works; we presume this to be a many-dimensional, spiral fractal. We suggest that all the electrons of the large biological molecules’ orbitals make one huge “cell-orbital”, which is structured according to the spiral fractal nature of quantum fields. Consciousness of single cells, multi cellular structures as e.g. organs, multi-cellular organisms and multi-individual colonies (like ants and human societies can thus be explained by deep quantum chemistry. When biochemical activity is strictly controlled by the quantum-mechanical super-orbital of the cell, this orbital can deliver energetic quanta as biological information, distributed through many fractal levels of the cell to guide form and behavior of an individual single or a multi-cellular organism. The top level of information is the consciousness of the cell or organism, which controls all the biochemical processes. By this speculative work inspired by Penrose and Hameroff we hope to inspire other researchers to formulate more strict and mathematically correct hypothesis on the complex and coherence nature of matter, life and consciousness.

Substantial secondary organic aerosol formation in a coniferous forest: observations of both day- and nighttime chemistry

OpenAIRE

A. K. Y. Lee; J. P. D. Abbatt; W. R. Leaitch; S.-M. Li; S. J. Sjostedt; S. J. Sjostedt; J. J. B. Wentzell; J. Liggio; A. M. Macdonald

2016-01-01

Substantial biogenic secondary organic aerosol (BSOA) formation was investigated in a coniferous forest mountain region at Whistler, British Columbia. A largely biogenic aerosol growth episode was observed, providing a unique opportunity to investigate BSOA formation chemistry in a forested environment with limited influence from anthropogenic emissions. Positive matrix factorization of aerosol mass spectrometry (AMS) measurement identifie...

Associating Animations with Concrete Models to Enhance Students' Comprehension of Different Visual Representations in Organic Chemistry

Science.gov (United States)

Al-Balushi, Sulaiman M.; Al-Hajri, Sheikha H.

2014-01-01

The purpose of the current study is to explore the impact of associating animations with concrete models on eleventh-grade students' comprehension of different visual representations in organic chemistry. The study used a post-test control group quasi-experimental design. The experimental group (N = 28) used concrete models, submicroscopic…

Comparing Recent Organizing Templates for Test Content between ACS Exams in General Chemistry and AP Chemistry

Science.gov (United States)

Holme, Thomas

2014-01-01

Two different versions of "big ideas" rooted content maps have recently been published for general chemistry. As embodied in the content outline from the College Board, one of these maps is designed to guide curriculum development and testing for advanced placement (AP) chemistry. The Anchoring Concepts Content Map for general chemistry…

What History Tells Us about the Distinct Nature of Chemistry.

Science.gov (United States)

Chang, Hasok

2017-11-01

Attention to the history of chemistry can help us recognise the characteristics of chemistry that have helped to maintain it as a separate scientific discipline with a unique identity. Three such features are highlighted in this paper. First, chemistry has maintained a distinct type of theoretical thinking, independent from that of physics even in the era of quantum chemistry. Second, chemical research has always been shaped by its ineliminable practical relevance and usefulness. Third, the lived experience of chemistry, spanning the laboratory, the classroom and everyday life, is distinctive in its multidimensional sensuousness. Furthermore, I argue that the combination of these three features makes chemistry an exemplary science.

One-step method of producing uniaxially oriented layers of organic discotic molecules for field effect transistors

Czech Academy of Sciences Publication Activity Database

Miskiewicz, P.; Rybak, A.; Jung, J. Y.; Glowacki, I.; Maniukiewicz, W.; Tracz, A.; Pfleger, Jiří; Ulanski, J.; Müllen, K.

2007-01-01

Roč. 37, 1-3 (2007), s. 207-218 ISSN 1543-0537. [International Conference Erpos on Electrical and Related Properties of Organic Solids and Polymers /10./. Carges, 10.7.2005-15.7.2005] Grant - others:Cordis(PL) G5RD-CT-2000-0032 Institutional research plan: CEZ:AV0Z40500505 Keywords : FETs * discotic liquid crystals * organic semiconductors Subject RIV: CF - Physical ; Theoretical Chemistry

Towards 'selection rules' in the radiation chemistry of molecular materials

International Nuclear Information System (INIS)

Feldman, V.I.; Inst. of Synthetic Polymetric Materials, Moscow; Moscow State Univ.

2002-01-01

Complete text of publication follows. There are a lot of experimental evidences suggesting that the primary radiation-induced events in organic solids and polymers are highly selective and sensitive to conformation, molecular packing, matrix environment, etc. Nevertheless, specific 'selection rules' in the radiation chemistry of molecules in solids are still not established. This contribution presents a review of our recent studies of the radiation damage in organic molecules in low-temperature matrices and polymers aimed at elucidation of basic physical factors controlling selectivity of the primary chemical events. The following aspects will be analyzed: 1. 'Fine tuning' effects in positive hole trapping in rigid systems containing molecular 'traps' with close ionization energy. 2. Selective chemical bond weakening in ionized molecules: experimental and theoretical results. 3. Matrix-assisted and matrix-controlled chemical reactions of ionized molecules in solid media (including the effect of 'matrix-catalysis'). 4. Effect of excess energy on the fate of ionized molecules in solid matrices: the role of intramolecular and intermolecular relaxation. Finally, the problem of experimental and theoretical simulation of the distribution of the radiation-induced events in complex molecular systems and polymers will be addressed

Interstellar organic chemistry.

Science.gov (United States)

Sagan, C.

1972-01-01

Most of the interstellar organic molecules have been found in the large radio source Sagittarius B2 toward the galactic center, and in such regions as W51 and the IR source in the Orion nebula. Questions of the reliability of molecular identifications are discussed together with aspects of organic synthesis in condensing clouds, degradational origin, synthesis on grains, UV natural selection, interstellar biology, and contributions to planetary biology.

Radon, water chemistry and pollution check by volatile organic compounds in springs around Popocatepetl volcano, Mexico

Directory of Open Access Journals (Sweden)

M. Mena

2005-06-01

Full Text Available Popocatepetl volcano is a high-risk active volcano in Central Mexico where the highest population density in the country is settled. Radon in the soil and groundwater together with water chemistry from samples of nearby springs were analysed as a function of the 2002-2003 volcanic activity. The measurements of soil radon indicated fluctuations related to both the meteorological and sporadic explosive events. Groundwater radon showed essential differences in concentration due to the specific characteristics of the studied springs. Water chemistry showed also stability along the monitoring period. No anthropogenic pollution from Volatile Organic Compounds (VOCs was observed. An overview of the soil radon behaviour as a function of the volcanic activity in the period 1994-2002 is also discussed.

Bioorthogonal Chemistry-Introduction and Overview

Czech Academy of Sciences Publication Activity Database

Carell, T.; Vrábel, Milan

2016-01-01

Roč. 374, č. 1 (2016), č. článku 9. ISSN 2365-0869 Institutional support: RVO:61388963 Keywords : bioorthogonal reactions * click chemistry * biomolecule labeling * 1,3-dipolar cycloaddition * Diels-Alder reaction Subject RIV: CC - Organic Chemistry Impact factor: 4.033, year: 2016

Determination of concentration of radon, volatile organic compounds (VOC) and water chemistry in springs near to Popocatepetl volcano

International Nuclear Information System (INIS)

Pena, P.; Segovia, N.; Lopez M, B.E.; Cisniega, G.; Valdes, C.; Armienta, M.A.; Mena, M.

2004-01-01

Popocatepetl volcano is a high-risk active volcano in Central Mexico where the highest population density in the country is settled. Radon in the soil and groundwater together with water chemistry from samples of nearby springs is analysed as a function of the 2002-2003 volcanic activity. Soil radon indicated fluctuations related both the meteorological parameters and sporadic explosive events. Groundwater radon showed essentially differences in concentration due to the specific characteristics of the studied springs. Water chemistry showed stability along the monitoring period indicating also differences between springs. No anthropogenic pollution from volatile organic compounds was observed. (Author)

Nanocarbons Made by Soft Chemistry

Czech Academy of Sciences Publication Activity Database

Kavan, Ladislav

2002-01-01

Roč. 386, - (2002), s. 167-172 ISSN 1058-725X R&D Projects: GA ČR GA203/99/1015 Institutional research plan: CEZ:AV0Z4040901 Keywords : carbon nanotubes * fullerenes * perfluorinated hydrocarbons Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.457, year: 2002

Activity – based costing in sport organizations:Theoretical background & future prospects

Directory of Open Access Journals (Sweden)

PANAGIOTIS E. DIMITROPOULOS

2007-01-01

Full Text Available Costing systems in recent years have shown a significantdevelopment and activity-based costing (ABC specificallyhas been considered as a major contribution to cost management, particularly in service businesses. The sport sector is composed to a great extent of service functions, yet considerably less have been reported of the use of activity based costing to support cost management in sport organizations. Since the power of information becomes continuously crucial for the implementation of effective business administration, the traditional methods of cost measurementproved insufficient on this issue, leading to the invention ofABC. The aim of this paper is twofold. First of all we wantto present the main theoretical background of ABC and itssubstantiated benefits, and secondly to present some practical steps for the implementation of ABC in sport organizations.

Impact of human presence on secondary organic aerosols derived from ozone-initiated chemistry in a simulated office environment

DEFF Research Database (Denmark)

Fadeyi, Moshood O.; Weschler, Charles J.; Tham, Kwok W.

2013-01-01

's reactions with various indoor pollutants. The present study examines this possibility for secondary organic aerosols (SOA) derived from ozone-initiated chemistry with limonene, a commonly occurring indoor terpene. The experiments were conducted at realistic ozone and limonene concentrations in a 240 m3...

Active Learning and Cooperative Learning in the Organic Chemistry Lecture Class

Science.gov (United States)

Paulson, Donald R.

1999-08-01

Faculty in the physical sciences are one of the academic groups least receptive to the use of active learning strategies and cooperative learning in their classrooms. This is particularly so in traditional lecture classes. It is the objective of this paper to show how effective these techniques can be in improving student performance in classes. The use of active learning strategies and cooperative learning groups in my organic chemistry lecture classes has increased the overall pass rate in my classes by an astounding 20-30% over the traditional lecture mode. This has been accomplished without any reduction in "standards". The actual methods employed are presented as well as a discussion of how I came to radically change the way I teach my classes.

Small-molecule azomethines : Organic photovoltaics via Schiff base condensation chemistry

NARCIS (Netherlands)

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

2014-01-01

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

New Carbons Made by Soft Chemistry

Czech Academy of Sciences Publication Activity Database

Kavan, Ladislav

2001-01-01

Roč. 200, Supplement (2001), s. 223-224 ISSN 0371-5345 R&D Projects: GA MŠk OC D14.10 Institutional research plan: CEZ:AV0Z4040901 Keywords : carbon * nanostructures * chemical modification Subject RIV: CF - Physical ; Theoretical Chemistry

Relativistic quantum chemistry on quantum computers

Czech Academy of Sciences Publication Activity Database

Veis, Libor; Višňák, Jakub; Fleig, T.; Knecht, S.; Saue, T.; Visscher, L.; Pittner, Jiří

2012-01-01

Roč. 85, č. 3 (2012), 030304 ISSN 1050-2947 R&D Projects: GA ČR GA203/08/0626 Institutional support: RVO:61388955 Keywords : simulation * algorithm * computation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.042, year: 2012

Dust evolution, a global view: III. Core/mantle grains, organic nano-globules, comets and surface chemistry

Science.gov (United States)

2016-01-01

Within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), this work explores the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and their influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of ‘polar ice’ mantles, the red wing on the 3 μm water ice band, the basis for the O-rich chemistry observed in hot cores, the origin of organic nano-globules and the 3.2 μm ‘carbonyl’ absorption band observed in comet reflectance spectra. It is proposed that the reaction of gas phase species with carbonaceous a-C(:H) grain surfaces in the interstellar medium, in particular the incorporation of atomic oxygen into grain surfaces in epoxide functional groups, is the key to explaining these observations. Thus, the chemistry of cosmic dust is much more intimately related with that of the interstellar gas than has previously been considered. The current models for interstellar gas and dust chemistry will therefore most likely need to be fundamentally modified to include these new grain surface processes. PMID:28083090

Non-classical structures of organic compounds: unusual stereochemistry and hypercoordination

International Nuclear Information System (INIS)

Minkin, Vladimir I; Minyaev, Ruslan M; Hoffmann, Roald

2002-01-01

Non-classical structures of organic compounds are defined as molecules containing non-tetrahedral tetracoordinate and/or hypercoordinate carbon atoms. The evolution of the views on this subject is considered and the accumulated theoretical and experimental data on the structures and dynamic transformations of non-classical organic compounds are systematised. It is shown that computational analysis using the methods and the software potential of modern quantum chemistry has now acquired high predictive capacity and is the most important source of data on the structures of non-classical compounds. The bibliography includes 227 references.

Morphology versus vertical phase segregation in solvent annealed small molecule bulk heterojunction organic solar cells

Czech Academy of Sciences Publication Activity Database

Kovalenko, A.; Stoyanova, V.; Pospisil, J.; Zhivkov, I.; Fekete, Ladislav; Karashanova, D.; Kratochvílová, Irena; Vala, M.; Weiter, M.

2015-01-01

Roč. 2015, Oct (2015), s. 238981 ISSN 1110-662X R&D Projects: GA ČR(CZ) GA15-05095S; GA TA ČR TA04020156; GA MŠk LO1409 Institutional support: RVO:68378271 Keywords : organic solar cells Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.226, year: 2015

Radiation chemistry research education in Australia

International Nuclear Information System (INIS)

Sangster, D.F.

1990-01-01

Radiation chemistry techniques may be used to solve research problems in other fields of chemistry and biology particularly when free radicals, excited states or reduction-oxidation reactions are involved. Using pulse radiolysis, absolute kinetic rate constants can be measured. The Australian Institute of Nuclear Science and Engineering is an organization jointly funded by universities, ANSTO and CSIRO. Over the past several years it has provided fares, accommodation and specialized supplementary equipment to enable PhD students and post doctoral fellows to make use of the unique electron beam and gamma irradiation facilities at the Lucas Heights Research Laboratories. It also arranges biennial conferences at which this work is presented and discussed. This talk will discuss the contribution made to the education of students in the undergraduate final year and in physical, metal-organic, organic, polymer and enzyme chemistry research

Organic chemistry in space

Science.gov (United States)

Johnson, R. D.

1977-01-01

Organic cosmochemistry, organic materials in space exploration, and biochemistry of man in space are briefly surveyed. A model of Jupiter's atmosphere is considered, and the search for organic molecules in the solar system and in interstellar space is discussed. Materials and analytical techniques relevant to space exploration are indicated, and the blood and urine analyses performed on Skylab are described.

The 2016 Nobel Prize: Chemistry and Physics

Directory of Open Access Journals (Sweden)

José Maria Filardo Bassalo

2017-08-01

Full Text Available In this article, we will deal with the 2016 Nobel Prizes: Chemistry and Physics, since they are related to the same theme: nanostructures / molecular machines (conception, fabrication and topological theoretical explanation.

Radiation chemistry of the liquid state

International Nuclear Information System (INIS)

Buxton, G.V.

1987-01-01

More is known about the radiation chemistry of water than any other liquid. From a practical viewpoint out knowledge is virtually complete, and water radiolysis now provides a very convenient way of generating an enormous variety of unstable species under well-defined conditions. This facility, coupled with the techniques of pulse radiolysis, has opened up new areas in aqueous inorganic, organic, and biochemistry that cannot be readily studied by thermal or photochemical methods. This chapter is aimed, therefore, at those who wish to use radiolytic methods to generate and study unstable species in aqueous solution. The basic features of the radiation chemistry of water are described first to show how the primary radical and molecular products evolve with time and to delineate the bounds of useful experimental conditions. Next, the properties of the primary radicals are summarized, and examples are given to show how the primary radicals can be converted into secondary radicals, often of a single kind. This is an important aspect of the radiation chemistry of aqueous solutions. Lastly, the impact of our knowledge of the radiation chemistry of water on advances in general chemistry is illustrated by examples from the fields of inorganic and organic chemistry

Experimental and theoretical investigation of benzyl-N ...

Indian Academy of Sciences (India)

Experimental and theoretical investigation of benzyl-N-pyrrolylketene, one- step procedure for preparing of new β-lactams by [2+2] cycloaddition reaction. MASOUMEH BEHZADI, KAZEM SAIDI. ∗. , MOHAMMAD REZA ISLAMI and. HOJATOLLAH KHABAZZADEH. Department of Chemistry, Shahid Bahonar University of ...

Present address of cutting-edge chemistry in Korea

International Nuclear Information System (INIS)

2007-01-01

This introduces the research center, company and chemistry department with excellent results. This book lists the name of those, which are organic molecule design laboratory by Sunmun university, intelligence Nano technology research center by Biotechnology, Ewha university, Nano chemistry laboratory by Department of chemistry, Yonsei university, science education research center by Haying university, solid chemistry laboratory by Department of Nano science, Ewha university, the center of innovation of chemistry industry with R and D by LG chemistry, Korea Research Institute of Chemical Technology, Department of Chemistry, Sogang university, Department of Chemistry, Busan university and Department of Chemistry, Dankook university.

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

Science.gov (United States)

Stotter, Philip L.; Culp, George H.

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

Theoretical studies of chemical reaction dynamics

Energy Technology Data Exchange (ETDEWEB)

Schatz, G.C. [Argonne National Laboratory, IL (United States)

1993-12-01

This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

Extraction of pigments from seeds of Bixa orellana L.: an alternative for experimental courses in organic chemistry

International Nuclear Information System (INIS)

Costa, Charllyton Luis S. da; Chaves, Mariana H.

2005-01-01

This paper describes methodologies for the extraction and characterization by TLC, UV-VIS, IR and NMR of bixin from Bixa orellana L. (urucum) seeds. Based on the results, the extraction with NaOH 5% is the fastest, uses low cost materials, requires two to four laboratory hours and is a useful alternative for an experimental Organic Chemistry discipline. (author)

A materials informatics approach for crystal chemistry

Science.gov (United States)

Kong, Chang Sun

This thesis addresses one of the fundamental questions in materials crystal chemistry, namely why do atoms arrange themselves in the way they do? The ability to broadly design and predict new phases [i.e. crystal structures] can be partly met using concepts that employ phase homologies. Homologous series of compounds are those that seem chemically diverse but can be expressed in terms of a mathematical formula that is capable of producing each chemical member in that crystal structure. A well-established strategy to help discover new compounds -- or at least to try to develop chemical design strategies for discovery -- is to search, organize and classify homologous compounds from known data. These classification schemes are developed with the hope that they can provide sufficient insight to help us forecast with some certainty, specific new phases or compounds. Yet, while the classification schemes (over a dozen have been reported in the last 50 years) have proved to be instructive, mostly in hindsight, but they have had limited impact, if at all, on the a priori design of materials chemistry. The aim of this research project is to develop a totally new approach to the study of chemical complexity in materials science using the tools of information theory and data science, which link diverse and high dimensional data derived from physical modeling and experiments. A very large scale binary AB2 crystallographic database is used as a data platform to develop a new data mining/informatics protocol based on high dimensional recursive partitioning schemes coupled to information theoretic measures to: (1) Identify which type of structure prototype is preferred over another for a given chemistry of compound; (2) discover new classification schemes of structure/chemistry/property relationships that classical homologies do not detect and finally we; (3) Extract and organize the underlying design rules for the formation of a given structure by quantitatively assessing the

Challenges of green chemistry in Ukraine

Directory of Open Access Journals (Sweden)

Shevtsova Ganna Ziyvna

2017-06-01

Full Text Available The article deals with study of Ukrainian chemical enterprises’ ecologisation issues and elaboration of the economic problems to realize principles of green chemistry. Theoretical aspects of green chemistry as a modern interdisciplinary conception, which reveals peculiarities to implement sustainable development paradigm in the chemical industry, are studied. Based on the analysis of essence and effectiveness to introduce international initiatives on sustainable development at the chemical industry enterprises, it is concluded that the implemented measures are only first steps on the way to realize key principles of green chemistry.It is proved that in order to promote conceptual ideas of the green chemistry further, it is reasonable to consider economic and marketing aspects of the ecological innovations: to provide economic effectiveness of green chemical products and technologies, to form ecological culture of consumption, to motivate green demand and to prevent market asymmetry of information.

Peatland Organic Matter Chemistry Trends Over a Global Latitudinal Gradient

Science.gov (United States)

Verbeke, B. A.; Hodgkins, S. B.; Carson, M. A.; Lamit, L. J.; Lilleskov, E.; Chanton, J.

2017-12-01

Peatlands contain a significant amount of the global soil carbon, and the climate feedback of carbon cycling within these peatland systems is still relatively unknown. Organic matter composition of peatlands plays a major role in determining carbon storage, and while high latitude peatlands seem to be the most sensitive to climate change, a global picture of peat organic matter chemistry is required to improve predictions and models of greenhouse gas emissions fueled by peatland decomposition. The objective of this research is to test the hypothesis that carbohydrate content of peatlands near the equator will be lower than high latitude peatlands, while aromatic content will be higher. As a part of the Global Peatland Microbiome Project (GPMP), around 2000 samples of peat from 10 to 70 cm across a latitudinal gradient of 79 N to 53 S were measured with Fourier transform infrared spectroscopy (FTIR) to examine the organic matter functional groups of peat. Carbohydrate and aromatic content, as determined by FTIR, are useful proxies of decomposition potential and recalcitrance, respectively. We found a highly significant relationship between carbohydrate and aromatic content, latitude, and depth. Carbohydrate content of high latitude sites were significantly greater than at sites near the equator, in contrast to aromatic content which showed the opposite trend. It is also clear that carbohydrate content decreases with depth while aromatic content increases with depth. Higher carbohydrate content at higher latitudes indicates a greater potential for lability and resultant mineralization to form the greenhouse gases, carbon dioxide and methane, whereas the composition of low latitude peatlands is consistent with their apparent stability. We speculate that the combination of low carbohydrates and high aromatics at warmer locations near the equator could foreshadow the organic matter composition of high latitude peat transitioning to a more recalcitrant form with a

Chemistry of complexing molecules and environment. Report of the working group of the Cea ''mission environment''; Chimie des complexants en environnements. Rapport du groupe de travail de la mission environnement

Energy Technology Data Exchange (ETDEWEB)

Petit, J.C

1998-07-01

The Working group 'Chemistry of Complexing Molecules and Environment' of the Mission Environment (AG/ENV) identified themes for an original positioning of CEA on important issues of environmental research if a sufficiently strong demand appears. The research of CEA on the environment should be complementary to actions undertaken by other partners (official institutions, research organizations and industrial firms). The themes suggested are: the synthesis of new chelating molecules and new materials having specific properties, with the support of theoretical chemistry and modeling, analytical physical chemistry and speciation of species in relation to their eco-toxicity and their biogeochemical mobility in the natural environment. These themes, illustrated by examples of actions in progress at CEA or likely to be launched quickly, draw largely from recognized competences of the teams, generally developed for finalized nuclear applications: experimental, theoretical and instrumental competences. (author)

Recollections of the maturation of radiation chemistry

International Nuclear Information System (INIS)

Dainton, F.S.

1989-01-01

In this paper the background to the study of the identification of primary species in irradiated aqueous solutions is presented. Theoretical aspects are discussed. The radiation chemistry of glossy and crystalline solids is briefly discussed. (UK)

Marcoule Institute for Separation Chemistry - 2009-2012 Scientific report

International Nuclear Information System (INIS)

Pellet-Rostaing, Stephane; Zemb, Thomas

2013-01-01

The mixed research unit 'Institute for Separation Chemistry' was created jointly by CEA, CNRS, University of Montpellier and Ecole Nationale Superieure de Chimie de Montpellier in March 2007. The building has been inaugurated in June 2009, with laboratories opened in the fall 2009 and has obtained authorisation to start experiments including a few grams of depleted uranium and natural thorium in January 2010. Last take-off was the theory group, who started in October 2009. Resources in Uranium are scarce, if only the 235 isotope is used and wastes related to nuclear energy production are potentially dangerous. The use of fast neutrons allows to multiply existing resources in national independence, but will be based on new separation processes, that can be modelled using predictive theory. Understanding and optimizing separation in the nuclear fuel cycle is the central aim of the 'Institute for Separation Chemistry' (ICSM). Enlarging this central goal to the needs for chemistry of recycling, for instance, strategic metals crucial for alternative energy, is the natural extension surfaces of needs and development of science, with a strong link for technology and implementation. This report gives an overview of the work published and submitted by ICSM since January 2009. The nine active research teams still work in the direction of the scientific open questions as defined and published by the French academy in 2007. The report is organized by scientific topics: each of the nine active research groups gathers a community of researchers and engineers from different expertises, who publish in various domains in the corresponding journals, and who participate at different international meetings. The research teams are organized as follows: 1 - Chemistry and Physical-chemistry of the Actinides; 2 - Ions at Active Interfaces; 3 - Ionic Separation from self-assembled Molecular systems; 4 - Sono-chemistry in Complex Fluids; 5 - Nano-materials for Energy and Recycling processes

Physics, radiology, and chemistry. 5. ed.

International Nuclear Information System (INIS)

Linde, O.K.; Knigge, H.J.

1978-01-01

This book is an introduction into physics and chemistry especially for medical personnel. After a general introduction, measurement methods, mechanics including mechanics of colid bodies, fluids and gases, heat, optics, acoustics, electricity, radiations including their biological effects, general chemistry, anorganic and organic chemistry are treated. Every chapter contains exercises mostly in connection with medical and biological effects. Futhermore connections with biology and medicine are considered. (HSI) [de

Complexation of Eu3+ with a macrocyclic lactam receptor: Experimental and theoretical study

Czech Academy of Sciences Publication Activity Database

Makrlík, E.; Záliš, Stanislav; Sedláková, Zdeňka; Vaňura, P.

2013-01-01

Roč. 1038, APR 2013 (2013), s. 216-219 ISSN 0022-2860 Institutional support: RVO:61388955 ; RVO:61389013 Keywords : europium * macrocyclic lactam receptor * complexation Subject RIV: CF - Physical ; Theoretical Chemistry; CD - Macromolecular Chemistry (UMCH-V) Impact factor: 1.599, year: 2013

Collections for terminology in chemistry

International Nuclear Information System (INIS)

1974-08-01

This book describes terminology in chemistry, which is divided into seven chapters. The contents of this book are element name, names of an inorganic compound such as ion and radical and polyacid, an organic compound on general principle and names, general terminology 1 and 2, unit and description method on summary, unit and the symbol for unit, number and pH, Korean mark for people's name in chemistry, names of JUPAC organic compound of summary, hydrocarbons, fused polycyclic hydrocarbons, bridged hydrocarbons, cyclic hydrocarbons with side chains, terpenes hydrocarbons, fundamental heterocyclic systems and heterocyclic spiro compounds.

Theoretical Hammett Plot for the Gas-Phase Ionization of Benzoic Acid versus Phenol: A Computational Chemistry Lab Exercise

Science.gov (United States)

Ziegler, Blake E.

2013-01-01

Computational chemistry undergraduate laboratory courses are now part of the chemistry curriculum at many universities. However, there remains a lack of computational chemistry exercises available to instructors. This exercise is presented for students to develop skills using computational chemistry software while supplementing their knowledge of…

Medicinal Chemistry: Where Are All the Women?

Science.gov (United States)

Huryn, Donna M; Bolognesi, Maria Laura; Young, Wendy B

2017-09-14

A review of multiple parameters including membership in professional organizations, corresponding authorship of medicinal chemistry journal articles, and representation in professional and leadership positions reveals that the percentage of women who participate in professional medicinal chemistry activities is less than 20%. These surrogate demographics are consistent across organizations, regions in the world and the various parameters evaluated, and parallel statistics compiled on the broader participation of women in all STEM fields. As in other STEM fields, a leaky pipeline is also evident. Suggestions for how to encourage and support women in medicinal chemistry in order to provide a more balanced representation are provided.

Theoretical and quantum mechanics fundamentals for chemists

CERN Document Server

Ivanov, Stefan

2006-01-01

Provides the basics of theoretical and quantum mechanics in one place and emphasizes the continuity between themUniquely presented to be used for self-taught courses covering theoretical and quantum mechanicsEach chapter includes a detailed outline, a summary, self-assessment questions for which answers can be found in the textInvaluable for chemistry undergraduate and graduate students, chemists, other non-physical scientists, engineering students of modern techniques and technology, specialists who need a better understanding of quantum mechanics.

Self-Regulated Learning Study Strategies and Academic Performance in Undergraduate Organic Chemistry: An Investigation Examining Ethnically Diverse Students

Science.gov (United States)

Lopez, Enrique J.; Nandagopal, Kiruthiga; Shavelson, Richard J.; Szu, Evan; Penn, John

2013-01-01

This study sought to identify ethnically diverse students' study strategies in organic chemistry and their relationships to course outcomes. Study diaries, concept maps, and problem sets were used to assess study outcomes. Findings show that students engage in four commonly used reviewing-type strategies, regardless of ethnic group affiliation.…

The Effects of Online Homework on First Year Pre-Service Science Teachers' Learning Achievements of Introductory Organic Chemistry

Science.gov (United States)

Ratniyom, Jadsada; Boonphadung, Suttipong; Unnanantn, Thassanant

2016-01-01

This study examined the effects of the introductory organic chemistry online homework on first year pre-service science teachers' learning achievements. The online homework was created using a web-based Google form in order to enhance the pre-service science teachers' learning achievements. The steps for constructing online homework were…

Hot atom chemistry of carbon