WorldWideScience

Sample records for medicine geology chemistry

  1. Fluorine in medicinal chemistry.

    Science.gov (United States)

    Swallow, Steven

    2015-01-01

    Since its first use in the steroid field in the late 1950s, the use of fluorine in medicinal chemistry has become commonplace, with the small electronegative fluorine atom being a key part of the medicinal chemist's repertoire of substitutions used to modulate all aspects of molecular properties including potency, physical chemistry and pharmacokinetics. This review will highlight the special nature of fluorine, drawing from a survey of marketed fluorinated pharmaceuticals and the medicinal chemistry literature, to illustrate key concepts exploited by medicinal chemists in their attempts to optimize drug molecules. Some of the potential pitfalls in the use of fluorine will also be highlighted. © 2015 Elsevier B.V. All rights reserved.

  2. 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

  3. Medicinal chemistry for 2020

    Science.gov (United States)

    Satyanarayanajois, Seetharama D; Hill, Ronald A

    2011-01-01

    Rapid advances in our collective understanding of biomolecular structure and, in concert, of biochemical systems, coupled with developments in computational methods, have massively impacted the field of medicinal chemistry over the past two decades, with even greater changes appearing on the horizon. In this perspective, we endeavor to profile some of the most prominent determinants of change and speculate as to further evolution that may consequently occur during the next decade. The five main angles to be addressed are: protein–protein interactions; peptides and peptidomimetics; molecular diversity and pharmacological space; molecular pharmacodynamics (significance, potential and challenges); and early-stage clinical efficacy and safety. We then consider, in light of these, the future of medicinal chemistry and the educational preparation that will be required for future medicinal chemists. PMID:22004084

  4. Spotlight on medicinal chemistry education.

    Science.gov (United States)

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

    2014-05-01

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

  5. Reaxys Medicinal Chemistry

    OpenAIRE

    2015-01-01

    Представлены руководства по работе с базой данных по медицинской химии REAXYS MEDICINAL CHEMISTRY издательства Elsevier на английском и русском языках.

  6. The Brazilian medicinal chemistry from 1998 to 2008 in the Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry [A química medicinal brasileira de 1998 a 2008 nos periódicos Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters e European Journal of Medicinal Chemistry

    OpenAIRE

    Bárbara Vasconcellos da Silva; Renato Saldanha Bastos; Angelo da Cunha Pinto

    2009-01-01

    In this article we present the Brazilian publications, the research groups involved, the contributions per states and the main diseases studied from 1998 to 2008 in the following periodicals: Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry.

  7. Plants and Medicinal Chemistry--2

    Science.gov (United States)

    Bailey, D.

    1977-01-01

    Second of a two part article on the influence of plants on medicinal chemistry. This part considers how drugs work, the attempts to develop anaesthetics safer than cocaine, and useful poisons. (Author/SL)

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

    Science.gov (United States)

    Almeida, M O; Maltarollo, V G; de Toledo, R A; Shim, H; Santos, M C; Honorio, K M

    2014-01-01

    Over the last centuries, there were many important discoveries in medicine that were crucial for gaining a better understanding of several physiological processes. Molecular modelling techniques are powerful tools that have been successfully used to analyse and interface medicinal chemistry studies with electrochemical experimental results. This special combination can help to comprehend medicinal chemistry problems, such as predicting biological activity and understanding drug action mechanisms. Electrochemistry has provided better comprehension of biological reactions and, as a result of many technological improvements, the combination of electrochemical techniques and biosensors has become an appealing choice for pharmaceutical and biomedical analyses. Therefore, this review will briefly outline the present scope and future advances related to the integration of electrochemical and medicinal chemistry approaches based on various applications from recent studies.

  9. Plants and Medicinal Chemistry

    Science.gov (United States)

    Bailey, D.

    1977-01-01

    This is the first of two articles showing how plants that have been used in folk medicine for many centuries are guiding scientists in the design and preparation of new and potent drugs. Opium and its chemical derivatives are examined at length in this article. (Author/MA)

  10. 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.

  11. Technetium in chemistry and nuclear medicine

    International Nuclear Information System (INIS)

    Deutsch, E.; Nicolini, M.; Wagner, H.N.

    1983-01-01

    This volume explores the potential of technetium radiopharmaceuticals in clinical nuclear medicine. The authors examine the capabilities of synthetic inorganic chemists to synthesize technetium radiopharmaceuticals and the specific requirements of the nuclear medicine practitioner. Sections cover the chemistry of technetium, the production of radiopharmaceuticals labeled with technetium, and the use of technetium radiopharmaceuticals in nuclear medicine

  12. 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...

  13. 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.

  14. A Supramolecular Approach to Medicinal Chemistry: Medicine Beyond the Molecule

    Science.gov (United States)

    Smith, David K.

    2005-03-01

    This article focuses on the essential roles played by intermolecular forces in mediating the interactions between chemical molecules and biological systems. Intermolecular forces constitute a key topic in chemistry programs, yet can sometimes seem disconnected from real-life applications. However, by taking a "supramolecular" view of medicinal chemistry and focusing on interactions between molecules, it is possible to come to a deeper understanding of recent developments in medicine. This allows us to gain a real insight into the interface between biology and chemistry—an interdisciplinary area that is crucial for the development of modern medicinal products. This article emphasizes a conceptual view of medicinal chemistry, which has important implications for the future, as the supramolecular approach to medicinal-chemistry products outlined here is rapidly allowing nanotechnology to converge with medicine. In particular, this article discusses recent developments including the rational design of drugs such as Relenza and Tamiflu, the mode of action of vancomycin, and the mechanism by which bacteria develop resistance, drug delivery using cyclodextrins, and the importance of supramolecular chemistry in understanding protein aggregation diseases such as Alzheimer's and Creutzfield Jacob. The article also indicates how taking a supramolecular approach will enable the development of new nanoscale medicines.

  15. Medicinal chemistry and the pharmacy curriculum.

    Science.gov (United States)

    Khan, M O Faruk; Deimling, Michael J; Philip, Ashok

    2011-10-10

    The origins and advancements of pharmacy, medicinal chemistry, and drug discovery are interwoven in nature. Medicinal chemistry provides pharmacy students with a thorough understanding of drug mechanisms of action, structure-activity relationships (SAR), acid-base and physicochemical properties, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles. A comprehensive understanding of the chemical basis of drug action equips pharmacy students with the ability to answer rationally the "why" and "how" questions related to drug action and it sets the pharmacist apart as the chemical expert among health care professionals. By imparting an exclusive knowledge base, medicinal chemistry plays a vital role in providing critical thinking and evidence-based problem-solving skills to pharmacy students, enabling them to make optimal patient-specific therapeutic decisions. This review highlights the parallel nature of the history of pharmacy and medicinal chemistry, as well as the key elements of medicinal chemistry and drug discovery that make it an indispensable component of the pharmacy curriculum.

  16. The Medicinal Chemistry of Dengue Virus.

    Science.gov (United States)

    Behnam, Mira A M; Nitsche, Christoph; Boldescu, Veaceslav; Klein, Christian D

    2016-06-23

    The dengue virus and related flaviviruses are an increasing global health threat. In this perspective, we comment on and review medicinal chemistry efforts aimed at the prevention or treatment of dengue infections. We include target-based approaches aimed at viral or host factors and results from phenotypic screenings in cellular assay systems for viral replication. This perspective is limited to the discussion of results that provide explicit chemistry or structure-activity relationship (SAR), or appear to be of particular interest to the medicinal chemist for other reasons. The discovery and development efforts discussed here may at least partially be extrapolated toward other emerging flaviviral infections, such as West Nile virus. Therefore, this perspective, although not aimed at flaviviruses in general, should also be able to provide an overview of the medicinal chemistry of these closely related infectious agents.

  17. Unusual Amino Acids in Medicinal Chemistry.

    Science.gov (United States)

    Blaskovich, Mark A T

    2016-12-22

    Unusual amino acids are fundamental building blocks of modern medicinal chemistry. The combination of readily functionalized amine and carboxyl groups attached to a chiral central core along with one or two potentially diverse side chains provides a unique three-dimensional structure with a high degree of functionality. This makes them invaluable as starting materials for syntheses of complex molecules, highly diverse elements for SAR campaigns, integral components of peptidomimetic drugs, and potential drugs on their own. This Perspective highlights the diversity of unnatural amino acid structures found in hit-to-lead and lead optimization campaigns and clinical stage and approved drugs, reflecting their increasingly important role in medicinal chemistry.

  18. Benzoxazoles and oxazolopyridines in medicinal chemistry studies

    DEFF Research Database (Denmark)

    Demmer, Charles S; Bunch, Lennart

    2015-01-01

    and the use of benzoxazole as a bioisostere are discussed. The review is extended to cover structure-activity relationship studies of 2-substituted benzoxazoles, 2-substituted oxazolopyridines, and in perspective, application of the recently published novel heterocycle oxazolopyrazine in medicinal chemistry...

  19. Sulfonimidamides in Medicinal and Agricultural Chemistry

    DEFF Research Database (Denmark)

    Chinthakindi, Praveen K; Naicker, Tricia; Thota, Niranjan

    2017-01-01

    The synthesis and evaluation of structural analogues and isosteres are of central importance in medicinal and agricultural chemistry. The sulfonamide functional group represents one of the most important amide isosteres in contemporary drug design, and about 500 such compounds have overcome both ...

  20. Chalcone: A Privileged Structure in Medicinal Chemistry.

    Science.gov (United States)

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

    2017-06-28

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

  1. Nutraceuticals, A New Challenge for Medicinal Chemistry.

    Science.gov (United States)

    Sut, Stefania; Baldan, Valeria; Faggian, Marta; Peron, Gregorio; Dall Acqua, Stefano

    2016-01-01

    "Nutraceuticals" are food-derived products largely used for their presumed healthpromoting or disease-preventing effects. In the recent years, many efforts have been aimed at assessing nutraceutical efficacy and safety, but these factors are difficult to address because of the complex chemical compositions and multiple mode of actions. Thus, the study of nutraceutical ingredients poses several challenges for the medicinal chemistry field, some of which are related to extraction and chemical characterization, some to in vitro and in vivo bioactivity evaluation, and some to the bioavailability and interaction of these natural mixtures with organs and microbiota. Furthermore, because of their nature as medicinal and food products, these nutraceuticals can also be considered as a valuable source of new "lead compounds", creating the opportunity to discover new classes of therapeutic agents. This review provides information on these themes, showing the new challenges that comprehensive medicinal chemistry research is called to answer in the field of nutraceuticals.

  2. 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...

  3. Lifeblood : Chemistry of Blood in Eighteenth-Century Medicine

    NARCIS (Netherlands)

    Verwaal, Ruben

    2015-01-01

    Was early eighteenth-century chemistry merely a handmaid to medicine? This paper aims to reassess assumptions about the relation between chemistry and medicine in the early modern period and argues that chemistry played a central role in medicine. The fluid and flow of blood can serve as a starting

  4. A Química Medicinal Brasileira de 1998 a 2008 nos Periódicos Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters e European Journal of Medicinal Chemistry

    OpenAIRE

    Renato S. Bastos; Universidade Federal do Rio de Janeiro; Bárbara V. da Silva; Universidade Federal do Rio de Janeiro; Angelo C. Pinto; Universidade Federal do Rio de Janeiro

    2009-01-01

    Neste artigo apresentamos as publicações brasileiras, os pesquisadores envolvidos, a contribuição por estado da federação e as principais doenças estudadas no período de 1998 a 2008 nas revistas Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters e European Journal of Medicinal Chemistry.  DOI: 10.5935/1984-6835.20090009  In this article we present the Brazilian publications, the research groups involved, the contributions per st...

  5. The Medicinal Chemistry of Therapeutic Oligonucleotides.

    Science.gov (United States)

    Wan, W Brad; Seth, Punit P

    2016-11-10

    Oligonucleotide-based therapeutics have made rapid progress in the clinic for treatment of a variety of disease indications. Unmodified oligonucleotides are polyanionic macromolecules with poor drug-like properties. Over the past two decades, medicinal chemists have identified a number of chemical modification and conjugation strategies which can improve the nuclease stability, RNA-binding affinity, and pharmacokinetic properties of oligonucleotides for therapeutic applications. In this perspective, we present a summary of the most commonly used nucleobase, sugar and backbone modification, and conjugation strategies used in oligonucleotide medicinal chemistry.

  6. Recent Advances of Metallocenes for Medicinal Chemistry.

    Science.gov (United States)

    Santos, Miguel M; Bastos, Pedro; Catela, Isabelle; Zalewska, Karolina; Branco, Luis C

    2017-01-01

    The recent advances for the synthesis and application of different metallocenes for Medicinal Chemistry is reviewed. This manuscript presents the different metallocene scaffolds, with special emphasis on ferrocene derivatives, and their potential pharmaceutical application. Over the last years, the synthesis of new metallocene compounds and their biological and medicinal effects against some types of diseases (e.g. anti-tumoral, antibiotics, anti-viral) have been reported. From the medicinal point of view, the attractive properties of metallocene derivatives, such as their high stability, low toxicity and appealing redox behaviors are particularly relevant. This area has attracted many researchers as well as the pharmaceutical industry due to the promising results of some metallocenes, in particular ferrocene compounds, in breast cancer and malaria. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  7. 32nd National Medicinal Chemistry Symposium--medicinal chemistry developments for neurodegeneration, diabetes and cancer.

    Science.gov (United States)

    Gater, Deborah

    2010-08-01

    The 32nd National Medicinal Chemistry Symposium, held in Minneapolis, MN, USA, included topics covering new developments in the field of medicinal chemistry. This conference report highlights selected presentations on NR2B subtype-selective NMDA receptor antagonists from Merck; selective neuronal nitric oxide synthase inhibitors from Northwestern University; novel GPR119 agonists, suchas GSK-1292263A (GlaxoSmithKline plc), PSN-821 ((OSI) Prosidion) and MBX-2982 (Metabolex Inc); a small-molecule Bcl inhibitor,navitoclax (Abbott Laboratories); and p53-targeting agents from sanofi-aventis and Ascenta Therapeutics Inc, including AT-219.

  8. Sulfoximines: a neglected opportunity in medicinal chemistry.

    Science.gov (United States)

    Lücking, Ulrich

    2013-09-02

    Innovation has frequently been described as the key to drug discovery. However, in the daily routine, medicinal chemists often tend to stick to the functional groups and structural elements they know and love. Blockbuster cancer drug Velcade (bortezomib), for example, was rejected by more than 50 companies, supposedly because of its unusual boronic acid function (as often repeated: "only a moron would put boron in a drug!"). Similarly, in the discovery process of the pan-CDK inhibitor BAY 1000394, the unconventional proposal to introduce a sulfoximine group into the lead series also led to sneers and raised eyebrows, since sulfoximines have seldom been used in medicinal chemistry. However, it was the introduction of the sulfoximine group that finally allowed the fundamental issues of the project to be overcome, culminating in the identification of the clinical sulfoximine pan-CDK inhibitor BAY 1000394. This Minireview provides an overview of a widely neglected opportunity in medicinal chemistry--the sulfoximine group. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Flavones: an important scaffold for medicinal chemistry.

    Science.gov (United States)

    Singh, Manjinder; Kaur, Maninder; Silakari, Om

    2014-09-12

    Flavones have antioxidant, anti-proliferative, anti-tumor, anti-microbial, estrogenic, acetyl cholinesterase, anti-inflammatory activities and are also used in cancer, cardiovascular disease, neurodegenerative disorders, etc. Also, flavonoids are found to have an effect on several mammalian enzymes like protein kinases that regulate multiple cell signaling pathways and alterations in multiple cellular signaling pathways are frequently found in many diseases. Flavones have been an indispensable anchor for the development of new therapeutic agents. The majority of metabolic diseases are speculated to originate from oxidative stress, and it is therefore significant that recent studies have shown the positive effect of flavones on diseases related to oxidative stress. Due to the wide range of biological activities of flavones, their structure-activity relationships have generated interest among medicinal chemists. The outstanding development of flavones derivatives in diverse diseases in very short span of time proves its magnitude for medicinal chemistry research. The present review gives detail about the structural requirement of flavone derivatives for various pharmacological activities. This information may provide an opportunity to scientists of medicinal chemistry discipline to design selective, optimize as well as poly-functional flavone derivatives for the treatment of multi-factorial diseases. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  10. 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.

  11. The medicinal chemistry of Chikungunya virus.

    Science.gov (United States)

    da Silva-Júnior, Edeildo F; Leoncini, Giovanni O; Rodrigues, Érica E S; Aquino, Thiago M; Araújo-Júnior, João X

    2017-08-15

    Arthropod-borne viruses (arboviruses) are an important threat to human and animal health globally. Among these, zoonotic diseases account for billions of cases of human illness and millions of deaths every year, representing an increasing public health problem. Chikungunya virus belongs to the genus Alphavirus of the family Togariridae, and is transmitted mainly by the bite of female mosquitoes of the Aedes aegypti and/or A. albopictus species. The focus of this review will be on the medicinal chemistry of Chikungunya virus, including synthetic and natural products, as well as rationally designed compounds. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Glycoconjugates of Quinolines: Application in Medicinal Chemistry.

    Science.gov (United States)

    Oliveri, Valentina; Vecchio, Graziella

    2016-09-02

    Compounds with the quinoline scaffold are widely investigated and offer a variety of therapeutical properties. A number of quinoline derivatives have been synthesized and among these there are glycoconjugated derivatives. Based on the interest for this family of compounds, we reviewed the different biological activities (molecular probes, antiinfective, antiproliferative, antiaggregant and antioxidant) and the potential applications in medicinal chemistry of quinoline glycoconjugates. This review wants to show an example of the glycoconjugation strategy which arose not only to modify the water solubility of the quinolines but also to influence their activity and targeting properties.

  13. The Essential Medicinal Chemistry of Curcumin.

    Science.gov (United States)

    Nelson, Kathryn M; Dahlin, Jayme L; Bisson, Jonathan; Graham, James; Pauli, Guido F; Walters, Michael A

    2017-03-09

    Curcumin is a constituent (up to ∼5%) of the traditional medicine known as turmeric. Interest in the therapeutic use of turmeric and the relative ease of isolation of curcuminoids has led to their extensive investigation. Curcumin has recently been classified as both a PAINS (pan-assay interference compounds) and an IMPS (invalid metabolic panaceas) candidate. The likely false activity of curcumin in vitro and in vivo has resulted in >120 clinical trials of curcuminoids against several diseases. No double-blinded, placebo controlled clinical trial of curcumin has been successful. This manuscript reviews the essential medicinal chemistry of curcumin and provides evidence that curcumin is an unstable, reactive, nonbioavailable compound and, therefore, a highly improbable lead. On the basis of this in-depth evaluation, potential new directions for research on curcuminoids are discussed.

  14. Medicinal chemistry matters - a call for discipline in our discipline.

    Science.gov (United States)

    Johnstone, Craig

    2012-06-01

    Medicinal chemistry makes a vital contribution to small molecule drug discovery, and the quality of it contributes directly to research effectiveness as well as to downstream costs, speed and survival in development. In recent years, the discipline of medicinal chemistry has evolved and witnessed many noteworthy contributions that propose and offer potential improvements to medicinal chemistry practice; however, the impact of these ideas is limited by their acceptance and deployment into every-day activity and, as a result, the quality of medicinal chemistry remains variable. For the good of the industry and the medicinal chemistry discipline, there is a need to move from retrospective learning to prospective control of medicinal chemistry practice to improve cost effectiveness, probability of success and survival rates. Copyright © 2012 Elsevier Ltd. All rights reserved.

  15. Medicinal plants from Mali: Chemistry and biology.

    Science.gov (United States)

    Wangensteen, Helle; Diallo, Drissa; Paulsen, Berit Smestad

    2015-12-24

    Mali is one of the countries in West Africa where the health system rely the most on traditional medicine. The healers are mainly using medicinal plants for their treatments. The studies performed being the basis for this review is of importance as they will contribute to sustaining the traditional knowledge. They contribute to evaluate and improve locally produced herbal remedies, and the review gives also an overview of the plant preparations that will have the most potential to be evaluated for new Improved Traditional Medicines. The aim of this review is to give an overview of the studies performed related to medicinal plants from Mali in the period 1995-2015. These studies include ethnopharmacology, chemistry and biological studies of the plants that were chosen based on our interviews with the healers in different regions of Mali, and contribute to sustainable knowledge on the medicinal plants. The Department of Traditional Medicine, Bamako, Mali, is responsible for registering the knowledge of the traditional healers on their use of medicinal plants and also identifying compounds in the plants responsible for the bioactivities claimed. The studies reported aimed at getting information from the healers on the use of medicinal plants, and study the biology and chemistry of selected plants for the purpose of verifying the traditional use of the plants. These studies should form the basis for necessary knowledge for the development of registered Improved Traditional Medicines in Mali. The healers were the ethnopharmacological informants. Questions asked initially were related to wound healing. This was because the immune system is involved when wounds are healed, and additionally the immune system is involved in the majority of the illnesses common in Mali. Based on the results of the interviews the plant material for studies was selected. Studies were performed on the plant parts the healers were using when treating their patients. Conventional chromatographic

  16. Glycans in Medicinal Chemistry: An Underexploited Resource.

    Science.gov (United States)

    Fernández-Tejada, Alberto; Cañada, F Javier; Jiménez-Barbero, Jesús

    2015-08-01

    The biological relevance of glycans as mediators of key physiological processes, including disease-related mechanisms, makes them attractive targets for a wide range of medical applications. Despite their important biological roles, especially as molecular recognition elements, carbohydrates have not been fully exploited as therapeutics mainly due to the scarcity of structure-activity correlations and their non-drug-like properties. A more detailed understanding of the complex carbohydrate structures and their associated functions should contribute to the development of new glycan-based pharmaceuticals. Recent significant progress in oligosaccharide synthesis and chemical glycobiology has renewed the interest of the medicinal chemistry community in carbohydrates. This promises to increase our possibilities to harness them in drug discovery efforts for the development of new and more effective, synthetic glycan-based therapeutics and vaccines. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. [Advancements of computer chemistry in separation of Chinese medicine].

    Science.gov (United States)

    Li, Lingjuan; Hong, Hong; Xu, Xuesong; Guo, Liwei

    2011-12-01

    Separating technique of Chinese medicine is not only a key technique in the field of Chinese medicine' s research and development, but also a significant step in the modernization of Chinese medicinal preparation. Computer chemistry can build model and look for the regulations from Chinese medicine system which is full of complicated data. This paper analyzed the applicability, key technology, basic mode and common algorithm of computer chemistry applied in the separation of Chinese medicine, introduced the mathematic mode and the setting methods of Extraction kinetics, investigated several problems which based on traditional Chinese medicine membrane procession, and forecasted the application prospect.

  18. The Influence of Geology and Other Environmental Factors on Stream Water Chemistry and Benthic Invertebrate Assemblages

    OpenAIRE

    Olson, John R.

    2012-01-01

    Catchment geology is known to influence water chemistry, which can significantly affect both species composition and ecosystem processes in streams. However, current predictions of how stream water chemistry varies with geology are limited in both scope and precision, and we have not adequately tested the specific mechanisms by which water chemistry influences stream biota. My dissertation research goals were to (1) develop empirical models to predict natural base-flow water chemistry from ca...

  19. Kaempferol and inflammation: From chemistry to medicine.

    Science.gov (United States)

    Devi, Kasi Pandima; Malar, Dicson Sheeja; Nabavi, Seyed Fazel; Sureda, Antoni; Xiao, Jianbo; Nabavi, Seyed Mohammad; Daglia, Maria

    2015-09-01

    Inflammation is an important process of human healing response, wherein the tissues respond to injuries induced by many agents including pathogens. It is characterized by pain, redness and heat in the injured tissues. Chronic inflammation seems to be associated with different types of diseases such as arthritis, allergies, atherosclerosis, and even cancer. In recent years natural product based drugs are considered as the novel therapeutic strategy for prevention and treatment of inflammatory diseases. Among the different types of phyto-constituents present in natural products, flavonoids which occur in many vegetable foods and herbal medicines are considered as the most active constituent, which has the potency to ameliorate inflammation under both in vitro and in vivo conditions. Kaempferol is a natural flavonol present in different plant species, which has been described to possess potent anti-inflammatory properties. Despite the voluminous literature on the anti-inflammatory effects of kaempferol, only very limited review articles has been published on this topic. Hence the present review is aimed to provide a critical overview on the anti-inflammatory effects and the mechanisms of action of kaempferol, based on the current scientific literature. In addition, emphasis is also given on the chemistry, natural sources, bioavailability and toxicity of kaempferol. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Medicinal Chemistry/Pharmacology in Sophomore Organic Chemistry.

    Science.gov (United States)

    Harrison, Aline M.

    1989-01-01

    Discussed is a series of lectures designed to illustrate the use of general organic chemical principles in molecular biology, introduce current research in interdisciplinary areas to the beginner, increase interest in organic chemistry, and bridge the gap between traditional organic chemistry, biology, and the consumer. An outline is presented.…

  1. The 2016 Frontiers in Medicinal Chemistry Conference in Bonn.

    Science.gov (United States)

    Müller, Christa E; Thimm, Dominik; Baringhaus, Karl-Heinz

    2017-01-05

    Pushing the frontiers of medicinal chemistry: Christa Müller, Dominik Thimm, and Karl-Heinz Baringhaus look back at the events of the 2016 Frontiers in Medicinal Chemistry (FiMC) Conference held in Bonn, Germany. The report highlights the themes & talks in the annual conference hosted by the Joint Division of Medicinal Chemistry of the German Pharmaceutical Society (DPhG) and German Chemical Society (GDCh). It is also an invitation to the 2017 conference in Bern, Switzerland this February 12-15. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Shock modification and chemistry and planetary geologic processes

    International Nuclear Information System (INIS)

    Boslough, M.S.

    1991-01-01

    This paper brings the rapid advances on shock processing of materials to the attention of Earth scientists, and to put these advances in the context of planetary geologic processes. Most of the recent research in this area has been directed at materials modification an synthesis, and the information gained has direct relevance to shock effects in nature. Research on various types of shock modification and chemistry in both naturally and experimentally shocked rocks and minerals is reviewed, and where appropriate their significance to planetary processes is indicated. As a case study, the surface of Mars is suggested as a place where conditions are optimal for shock processing to be a dominant factor. The various mechanisms of shock modification, activation, synthesis and decomposition are all proposed as major contributors to the evolution of chemical, mineralogical, and physical properties of the Martian regolith

  3. Industrial medicinal chemistry insights: neuroscience hit generation at Janssen.

    Science.gov (United States)

    Tresadern, Gary; Rombouts, Frederik J R; Oehlrich, Daniel; Macdonald, Gregor; Trabanco, Andres A

    2017-10-01

    The role of medicinal chemistry has changed over the past 10 years. Chemistry had become one step in a process; funneling the output of high-throughput screening (HTS) on to the next stage. The goal to identify the ideal clinical compound remains, but the means to achieve this have changed. Modern medicinal chemistry is responsible for integrating innovation throughout early drug discovery, including new screening paradigms, computational approaches, novel synthetic chemistry, gene-family screening, investigating routes of delivery, and so on. In this Foundation Review, we show how a successful medicinal chemistry team has a broad impact and requires multidisciplinary expertise in these areas. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. 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.

  5. Synthesis of Ethyl Nalidixate: A Medicinal Chemistry Experiment

    Science.gov (United States)

    Leslie, Ray; Leeb, Elaine; Smith, Robert B.

    2012-01-01

    A series of laboratory experiments that complement a medicinal chemistry lecture course in drug design and development have been developed. The synthesis of ethyl nalidixate covers three separate experimental procedures, all of which can be completed in three, standard three-hour lab classes and incorporate aspects of green chemistry such as…

  6. Research advancements and applications of carboranes in nuclear medicinal chemistry

    International Nuclear Information System (INIS)

    Chen Wen; Wei Hongyuan; Luo Shunzhong

    2011-01-01

    Because of their uniquely high thermal and chemical stabilities, carboranes have become a subject of study with high interest in the chemistry of supra molecules, catalysts and radiopharmaceuticals. In recent years, the role of carboranes in nuclear medicinal chemistry has been diversified, from the traditional use in boron neutron capture therapy (BNCT), to the clinical applications in molecular radio imaging and therapy. This paper provides an overview of the synthesis and characterization of carboranes and their applications in nuclear medicinal chemistry, with highlights of recent key advancements in the re- search areas of BNCT and radio imaging. (authors)

  7. Oxetanes: Recent Advances in Synthesis, Reactivity, and Medicinal Chemistry.

    Science.gov (United States)

    Bull, James A; Croft, Rosemary A; Davis, Owen A; Doran, Robert; Morgan, Kate F

    2016-10-12

    The four-membered oxetane ring has been increasingly exploited for its contrasting behaviors: its influence on physicochemical properties as a stable motif in medicinal chemistry and its propensity to undergo ring-opening reactions as a synthetic intermediate. These applications have driven numerous studies into the synthesis of new oxetane derivatives. This review takes an overview of the literature for the synthesis of oxetane derivatives, concentrating on advances in the last five years up to the end of 2015. These methods are clustered by strategies for preparation of the ring and further derivatization of preformed oxetane-containing building blocks. Examples of the use of oxetanes in medicinal chemistry are reported, including a collation of oxetane derivatives appearing in recent patents for medicinal chemistry applications. Finally, examples of oxetane derivatives in ring-opening and ring-expansion reactions are described.

  8. Digital Geologic Map Database of Medicine Lake Volcano, Northern California

    Science.gov (United States)

    Ramsey, D. W.; Donnelly-Nolan, J. M.; Felger, T. J.

    2010-12-01

    Medicine Lake volcano, located in the southern Cascades ~55 km east-northeast of Mount Shasta, is a large rear-arc, shield-shaped volcano with an eruptive history spanning nearly 500 k.y. Geologic mapping of Medicine Lake volcano has been digitally compiled as a spatial database in ArcGIS. Within the database, coverage feature classes have been created representing geologic lines (contacts, faults, lava tubes, etc.), geologic unit polygons, and volcanic vent location points. The database can be queried to determine the spatial distributions of different rock types, geologic units, and other geologic and geomorphic features. These data, in turn, can be used to better understand the evolution, growth, and potential hazards of this large, rear-arc Cascades volcano. Queries of the database reveal that the total area covered by lavas of Medicine Lake volcano, which range in composition from basalt through rhyolite, is about 2,200 km2, encompassing all or parts of 27 U.S. Geological Survey 1:24,000-scale topographic quadrangles. The maximum extent of these lavas is about 80 km north-south by 45 km east-west. Occupying the center of Medicine Lake volcano is a 7 km by 12 km summit caldera in which nestles its namesake, Medicine Lake. The flanks of the volcano, which are dotted with cinder cones, slope gently upward to the caldera rim, which reaches an elevation of nearly 2,440 m. Approximately 250 geologic units have been mapped, only half a dozen of which are thin surficial units such as alluvium. These volcanic units mostly represent eruptive events, each commonly including a vent (dome, cinder cone, spatter cone, etc.) and its associated lava flow. Some cinder cones have not been matched to lava flows, as the corresponding flows are probably buried, and some flows cannot be correlated with vents. The largest individual units on the map are all basaltic in composition, including the late Pleistocene basalt of Yellowjacket Butte (296 km2 exposed), the largest unit on the

  9. Halogenase engineering and its utility in medicinal chemistry.

    Science.gov (United States)

    Fraley, Amy E; Sherman, David H

    2018-06-15

    Halogenation is commonly used in medicinal chemistry to improve the potency of pharmaceutical leads. While synthetic methods for halogenation present selectivity and reactivity challenges, halogenases have evolved over time to perform selective reactions under benign conditions. The optimization of halogenation biocatalysts has utilized enzyme evolution and structure-based engineering alongside biotransformation in a variety of systems to generate stable site-selective variants. The recent improvements in halogenase-catalyzed reactions has demonstrated the utility of these biocatalysts for industrial purposes, and their ability to achieve a broad substrate scope implies a synthetic tractability with increasing relevance in medicinal chemistry. Copyright © 2018 Elsevier Ltd. All rights reserved.

  10. Recent developments of 2-aminothiazoles in medicinal chemistry.

    Science.gov (United States)

    Das, Debasis; Sikdar, Papiya; Bairagi, Moumita

    2016-02-15

    The 2-aminothiazole (2-AT) core is an active pharmacophore and used in medicinal chemistry and drug discovery research. A number of drugs with 2-AT core are in the market, e.g. Famotidine, Cefdinir, Meloxcam etc. Recently, 2-AT core has been explored for many more important therapeutic areas and identified new 2-aminothiazoles with anticancer, antitumor, antidiebatic and anticonvulsant activity. In this review, we discuss the newly identified and developed 2-aminothiazoles in recent years and their use in medicinal chemistry and pharmacology. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  11. The future of discovery chemistry: quo vadis? Academic to industrial--the maturation of medicinal chemistry to chemical biology.

    Science.gov (United States)

    Hoffmann, Torsten; Bishop, Cheryl

    2010-04-01

    At Roche, we set out to think about the future role of medicinal chemistry in drug discovery in a project involving both Roche internal stakeholders and external experts in drug discovery chemistry. To derive a coherent strategy, selected scientists were asked to take extreme positions and to derive two orthogonal strategic options: chemistry as the traditional mainstream science and chemistry as the central entrepreneurial science. We believe today's role of medicinal chemistry in industry has remained too narrow. To provide the innovation that industry requires, medicinal chemistry must play its part and diversify at pace with our increasing understanding of chemical biology and network pharmacology. 2010 Elsevier Ltd. All rights reserved.

  12. Physics and Its Interfaces with Medicinal Chemistry and Drug Design

    Science.gov (United States)

    Santos, Ricardo N.; Andricopulo, Adriano D.

    2013-08-01

    Medicinal chemistry is a multidisciplinary subject that integrates knowledge from a variety of fields of science, including, but not limited to, chemistry, biology, and physics. The area of drug design involves the cooperative work of scientists with a diverse range of backgrounds and technical skills, trying to tackle complex problems using an integration of approaches and methods. One important contribution to this field comes from physics through studies that attempt to identify and quantify the molecular interactions between small molecules (drugs) and biological targets (receptors), such as the forces that govern the interactions, the thermodynamics of the drug-receptor interactions, and so on. In this context, the interfaces of physics, medicinal chemistry, and drug design are of vital importance for the development of drugs that not only have the right chemistry but also the right intermolecular properties to interact at the macromolecular level, providing useful information about the principles and molecular mechanisms underlying the therapeutic action of drugs. This article highlights some of the most important connections between physics and medicinal chemistry in the design of new drugs.

  13. Medicinal chemistry teaching and training: a continuous adaptation

    NARCIS (Netherlands)

    Timmerman, H.; de Souza, N.J.

    2009-01-01

    Bridging the gap: The differences between medicinal chemistry at the industrial and academic levels raises the question: Is there a significant gap between the two spheres that requires attention, or should such differences be deemed natural, without the need to close the gap? Herein we provide

  14. Innovative multicomponent reactions and their use in medicinal chemistry

    NARCIS (Netherlands)

    Zarganes Tzitzikas, Tryfon

    2017-01-01

    Aim of this dissertation is to address how innovative MCRs are in medicinal chemistry and how they can be used in different cases. The MCR derived products can be considered as a synthetic hub to a vast diversity of novel cyclic or acyclic scaffolds by employing different secondary transformations.

  15. Multistep Continuous-Flow Synthesis in Medicinal Chemistry

    DEFF Research Database (Denmark)

    Petersen, Trine P; Mirsharghi, Sahar; Rummel, Pia Cwarzko

    2013-01-01

    A three-step continuous-flow synthesis system and its application to the assembly of a new series of chemokine receptor ligands directly from commercial building blocks is reported. No scavenger columns or solvent switches are necessary to recover the desired test compounds, which were obtained i...... studies in medicinal chemistry....

  16. Prediction of Log "P": ALOGPS Application in Medicinal Chemistry Education

    Science.gov (United States)

    Kujawski, Jacek; Bernard, Marek K.; Janusz, Anna; Kuzma, Weronika

    2012-01-01

    Molecular hydrophobicity (lipophilicity), usually quantified as log "P" where "P" is the partition coefficient, is an important molecular characteristic in medicinal chemistry and drug design. The log "P" coefficient is one of the principal parameters for the estimation of lipophilicity of chemical compounds and pharmacokinetic properties. The…

  17. Current developments of coumarin compounds in medicinal chemistry.

    Science.gov (United States)

    Peng, Xin-Mei; Damu, Guri L V; Zhou, Cheng- He

    2013-01-01

    Coumarin compounds represent an important type of naturally occurring and synthetic oxygen-containing heterocycles with typical benzopyrone framework. This type of special benzopyrone structure enables its derivatives readily interact with a diversity of enzymes and receptors in organisms through weak bond interactions, thereby exhibit wide potentiality as medicinal drugs. So far, some coumarin-based drugs such as anticoagulant and antineurodegenerative agents have been extensively used in clinic. Coumarin-containing supramolecular medicinal agents as a new increasing expansion of supramolecular chemistry in pharmaceutical science have also been actively investigated in recent years. Coumarin-derived artificial ion receptors, fluorescent probes and biological stains are growing quickly and have a variety of potential applications in monitoring timely enzyme activity, complex biological events as well as accurate pharmacological and pharmacokinetic properties. This review provides a systematic summary and insight of the whole range of medicinal chemistry in the current developments of coumarin compounds as anticoagulant, antineurodegenerative, anticancer, antioxidative, antibacterial, antifungal, antiviral, antiparasitic, antiinflammatory and analgesic, antidiabetic, antidepressive and other bioactive agents as well as supramolecular medicinal drugs, diagnostic agents and pathologic probes, and biological stains. Some rational design strategies, structure-activity relationships and action mechanisms are discussed. The perspectives of the future development of coumarinbased medicinal chemistry are also presented.

  18. Synergy between medicinal chemistry and biological research.

    Science.gov (United States)

    Moncada, Salvador; Coaker, Hannah

    2014-09-01

    Salvador Moncada studied medicine at the University of El Salvador (El Salvador) before coming to the UK in 1971 to work on a PhD with Professor John Vane at the Institute of Basic Medical Sciences, Royal College of Surgeons (UK). After a short period of research at the University of Honduras (Honduras), he joined the Wellcome Research Laboratories (UK) where he became Head of the Department of Prostaglandin Research and later, Director of Research. He returned to academic life in 1996 as founder and director of the Wolfson Institute for Biomedical Research at University College London (UK). Moncada played a role in the discovery of the mechanism of action of aspirin-like drugs and later led the teams which discover prostacyclin and identified nitric oxide as a biological mediator. In his role as a Director of Research of the Wellcome Laboratories, he oversaw the discovery and development of medicines for epilepsy, migraine, malaria and cancer. Currently, he is working on the regulation of cell proliferation as Director of the Institute of Cancer Sciences at the University of Manchester (UK). Moncada has won numerous awards from the international scientific community and in 2010, he received a knighthood from Her Majesty Queen Elizabeth II for his services to science.

  19. No Denying It: Medicinal Chemistry Training Is in Big Trouble.

    Science.gov (United States)

    Rafferty, Michael F

    2016-12-22

    There has been little consensus between the pharmaceutical industry and academic communities concerning the best approach to train medicinal chemists for drug discovery. For decades the pharmaceutical industry has shown preference for synthetic organic graduates over candidates with degrees from medicinal chemistry programs on the assumption that medicinal chemistry expertise will be acquired on the job. However, ongoing changes to pharmaceutical drug discovery organizations and practices threaten to undermine this training model. There is a compelling argument to be made for establishment of a strong industry-academic partnership to train new candidates with sophisticated knowledge of contemporary drug design concepts and techniques to ensure that the future needs of both industry and academic drug discovery research can be served.

  20. Computational Tools To Model Halogen Bonds in Medicinal Chemistry.

    Science.gov (United States)

    Ford, Melissa Coates; Ho, P Shing

    2016-03-10

    The use of halogens in therapeutics dates back to the earliest days of medicine when seaweed was used as a source of iodine to treat goiters. The incorporation of halogens to improve the potency of drugs is now fairly standard in medicinal chemistry. In the past decade, halogens have been recognized as direct participants in defining the affinity of inhibitors through a noncovalent interaction called the halogen bond or X-bond. Incorporating X-bonding into structure-based drug design requires computational models for the anisotropic distribution of charge and the nonspherical shape of halogens, which lead to their highly directional geometries and stabilizing energies. We review here current successes and challenges in developing computational methods to introduce X-bonding into lead compound discovery and optimization during drug development. This fast-growing field will push further development of more accurate and efficient computational tools to accelerate the exploitation of halogens in medicinal chemistry.

  1. Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–2

    Directory of Open Access Journals (Sweden)

    Diego Muñoz-Torrero

    2017-12-01

    Full Text Available Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of Editorials, which are published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal Molecules [...

  2. Medicinal Chemistry of Competitive Kainate Receptor Antagonists

    Science.gov (United States)

    2010-01-01

    Kainic acid (KA) receptors belong to the group of ionotropic glutamate receptors and are expressed throughout in the central nervous system (CNS). The KA receptors have been shown to be involved in neurophysiological functions such as mossy fiber long-term potentiation (LTP) and synaptic plasticity and are thus potential therapeutic targets in CNS diseases such as schizophrenia, major depression, neuropathic pain and epilepsy. Extensive effort has been made to develop subtype-selective KA receptor antagonists in order to elucidate the physiological function of each of the five subunits known (GluK1−5). However, to date only selective antagonists for the GluK1 subunit have been discovered, which underlines the strong need for continued research in this area. The present review describes the structure−activity relationship and pharmacological profile for 10 chemically distinct classes of KA receptor antagonists comprising, in all, 45 compounds. To the medicinal chemist this information will serve as reference guidance as well as an inspiration for future effort in this field. PMID:22778857

  3. Frontiers in Medicinal Chemistry 2017 in Bern, Switzerland.

    Science.gov (United States)

    Probst, Daniel; Heitz, Marc; Poirier, Marion; Gan, Bee Ha; Delalande, Clémence; Reymond, Jean-Louis

    2017-10-09

    Sharing capital ideas: The 2017 Frontiers in Medicinal Chemistry (FiMC) conference, organized jointly by the German Chemical Society, the German Pharmaceutical Society, and the Swiss Chemical Society, was held at the Department of Chemistry and Biochemistry of the University of Bern in February 2017. Herein we summarize the many conference highlights, and look forward to the next FiMC meeting, to be held in Jena (Germany) in March 2018. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Synthetic Aziridines in Medicinal Chemistry: A Mini-Review.

    Science.gov (United States)

    Singh, Girija S

    2016-01-01

    Azaheterocyclic compounds are well-known to have diverse types of biological activity. Among them, azacyclopropanes, commonly referred as aziridines, occupy a prominent place in synthetic organic and medicinal chemistry due to its occurrence in natural resources, complexity involved in synthesis due to ring-strain, building blocks in organic synthesis, and its biological properties. Several novel compounds containing aziridine ring have been designed and synthesized recently by medicinal chemists for evaluating their biological profile. A number of compounds are reported as cysteine protease inhibitors, antibacterial, antifungal, anticancer, antileishmanial, and antimalarial agents. This review article summarizes the biological activity of such compounds. The preparation of such compounds is also described.

  5. The 13th Winter Conference on Medicinal and Bioorganic Chemistry.

    Science.gov (United States)

    Williams, Scott D

    2017-04-06

    The Medicinal and Bioorganic Chemistry Foundation (MBCF) hosted its 13 th biannual Winter Conference on Medicinal and Bioorganic Chemistry (WCMBC) this past January 22 nd -26 th in Steamboat Springs, Colorado (USA). The gathering this year kept true to the tradition of this conference series, with an impressive lineup of presenters from both academia and industry. With about 125 delegates, the conference took all the advantages of a mid-sized gathering: a sufficiently wide spectrum of scientists in attendance, yet an intimate atmosphere conducive to solid networking and frank, open discussions. This conference report summarizes the presentations that were given this year. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design.

    Science.gov (United States)

    Kenny, Peter W; Montanari, Carlos A; Prokopczyk, Igor M; Ribeiro, Jean F R; Sartori, Geraldo Rodrigues

    2016-05-12

    Hydrogen bonding is discussed in the context of medicinal chemistry design. Minimized molecular electrostatic potential (Vmin) is shown to be an effective predictor of hydrogen bond basicity (pKBHX), and predictive models are presented for a number of hydrogen bond acceptor types relevant to medicinal chemistry. The problems posed by the presence of nonequivalent hydrogen bond acceptor sites in molecular structures are addressed by using nonlinear regression to fit measured pKBHX to calculated Vmin. Predictions are made for hydrogen bond basicity of fluorine in situations where relevant experimental measurements are not available. It is shown how predicted pKBHX can be used to provide insight into the nature of bioisosterism and to profile heterocycles. Examples of pKBHX prediction for molecular structures with multiple, nonequivalent hydrogen bond acceptors are presented.

  7. Computational Exploration of Molecular Scaffolds in Medicinal Chemistry.

    Science.gov (United States)

    Hu, Ye; Stumpfe, Dagmar; Bajorath, Jürgen

    2016-05-12

    The scaffold concept is widely applied in medicinal chemistry. Scaffolds are mostly used to represent core structures of bioactive compounds. Although the scaffold concept has limitations and is often viewed differently from a chemical and computational perspective, it has provided a basis for systematic investigations of molecular cores and building blocks, going far beyond the consideration of individual compound series. Over the past 2 decades, alternative scaffold definitions and organization schemes have been introduced and scaffolds have been studied in a variety of ways and increasingly on a large scale. Major applications of the scaffold concept include the generation of molecular hierarchies, structural classification, association of scaffolds with biological activities, and activity prediction. This contribution discusses computational approaches for scaffold generation and analysis, with emphasis on recent developments impacting medicinal chemistry. A variety of scaffold-based studies are discussed, and a perspective on scaffold methods is provided.

  8. Third International Electronic Conference on Medicinal Chemistry (ECMC-3

    Directory of Open Access Journals (Sweden)

    Annie Mayence

    2018-02-01

    Full Text Available The third International Electronic Conference on Medicinal Chemistry, organized and sponsored by MDPI AG, publisher, and the journal Pharmaceuticals, took place in November 2017 on the SciForum website (www.sciforum.net/conference/ecmc-3. Around 300 authors from 34 different countries participated at the event, which hosted more than 70 presentations, keynotes, videos, and posters. A short description of some works presented during that scientific meeting is disclosed in this report.

  9. Fragment-to-Lead Medicinal Chemistry Publications in 2015.

    Science.gov (United States)

    Johnson, Christopher N; Erlanson, Daniel A; Murray, Christopher W; Rees, David C

    2017-01-12

    Fragment-based drug discovery (FBDD) is now well-established as a technology for generating new chemical leads and drugs. This Miniperspective provides a tabulated overview of the fragment-to-lead literature published in the year 2015, together with a commentary on trends observed across the FBDD field during this time. It is hoped that this tabulated summary will provide a useful point of reference for both FBDD practitioners and the wider medicinal chemistry community.

  10. Editorial: in silico drug design and medicinal chemistry).

    Science.gov (United States)

    Singla, Rajeev K

    2015-01-01

    Medicinal chemistry is not limited to molecules, their structures and design but also highly cohesive to pharmacological activities. The potency of a molecule varies by its structure. Hence structural activity relationship is the sub-branch which deals with the estimation of ability of a molecule in depicting any pharmacological activity. In silico drug design is a novel technique which is employed in designing a molecule by using computer aided software’s and bringing a superior and potent molecule. In recent years, in silico drug design has been merged with medicinal chemistry especially by the techniques like ligand based strategy to isolate the required structures. By such strategic techniques, there are high chances of delivering high throughput screening which involves of screening large number of molecules in a very less time. Involvement of such techniques would be a boon for development of new drug entity as it can aid in development of newer, safe, effective and potent drug molecules. Hence, the present issue is aimed to emphasize the cohesion between in silico drug design and it significance in medicinal chemistry. The articles which would be published will mainly focus on the role of in silico drug design techniques in the development of molecules to target various disease and disorders. Molecules can from natural/ synthetic/semi synthetic origin. Articles will be a treasure box consisting of employment of computational methods for unprecedented molecules. The issue will be sure an endorsement for international readership and researchers.

  11. The Importance of Medicinal Chemistry Knowledge in the Clinical Pharmacist's Education.

    Science.gov (United States)

    Fernandes, João Paulo S

    2018-03-01

    Objective. To show why medicinal chemistry must be a key component of the education of pharmacy students, as well as in the pharmacist's practice. Findings. Five case reports were selected by their clinically relevant elements of medicinal chemistry and were explained using structure-activity relationship data of the drugs involved in the case easily obtained from primary literature and in medicinal chemistry textbooks. Summary. This paper demonstrates how critical clinical decisions can be addressed using medicinal chemistry knowledge. While such knowledge may not explain all clinical decisions, medicinal chemistry concepts are essential for the education of pharmacy students to explain drug action in general and clinical decisions.

  12. The Etendeka lavas SWA/Namibia: geology, chemistry and spatial and temporal relationships

    International Nuclear Information System (INIS)

    Marsh, J.S.; Erlank, A.J.; Duncan, A.R.; Miller, R.McG.; Rex, D.C.

    1981-01-01

    The paper discusses a geologic survey on the Etendeka lavas in South West Africa/Namibia with special attention to the geology, chemistry and spatial and temporal relationships in the area. K/Ar age data indicate that the bulk of the Etendeka lavas are about 120 m.y. old. In the study use was also made of 87 Sr/ 86 Sr, 143 Nd/ 144 Nd, 206 Pb/ 204 Pb, 207 Pb/ 204 Pb and 208 Pb/ 204 Pb isotope ratios

  13. Coordination chemistry of technetium as related to nuclear medicine

    International Nuclear Information System (INIS)

    Srivastava, S.C.; Richards, P.

    1982-01-01

    Significant advances have been made in the area of technetium coordination chemistry during the last five years. The main driving force behind this recent surge of interest in the field has been due to the practical application of technetium-99m in the rapidly growing speciality of nuclear medicine. Technetium-99 is one of the products of nuclear fission reactions, but it was the development of the molybdenum-99-technetium-99m generator about two decades ago that provided the basis for the development of radiopharmaceuticals routinely used in modern diagnostic applications. The chemistry of this element has proven to be quite rich owing to its multiple oxidation states and variable geometry. This can be attributed to its position in the middle of the periodic table. Diagnostic radiopharmaceuticals comprise predominantly III, IV and V oxidation states of Tc and involve a variety of coordination complexes. Even though the chemistry of Tc has been slow to evolve, recent synthetic advances have provided a more scientific basis for the study of a number of compounds with diverse coordination geometries and structures. Ligands with oxygen, nitrogen and sulfur donor atoms have been utilized to elucidate various aspects of the coordination chemistry of Tc. Single crystal X-ray structural analysis has been extensively used to characterize Tc complexes and thus construct a firm foundation for the study of synthetic and mechanistic aspects of the chemistry of this element. (author)

  14. Groundwater Chemistry and Assessment of Its Effect on Health from the Aspect of Medical Geology

    Directory of Open Access Journals (Sweden)

    Simge Varol

    2008-08-01

    Full Text Available Geology and medicine are the oldest two sciences. Nowadays, medical geology is appeared to associate the researches related to environmental problems studied by geology and medical sciences. In the medical geology, researches related to effect of groundwater on human health is the most important subject. In this paper, elements which are the constituent of groundwater and health problems originated from those elements were explained. In addition, components polluting the groundwater widely were presented in detail. [TAF Prev Med Bull 2008; 7(4.000: 351-356

  15. 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.

  16. Mass spectrometry. Environment, biology, oenology, medicine, geology, chemistry, archaeology, mechanisms

    International Nuclear Information System (INIS)

    1999-01-01

    This document provides the papers (communications and posters) presented at the 16. French days of mass spectrometry, held September 6-9, 1999 in Nancy, France. 5 papers are interesting for the INIS database and are analyzed separately. (O.M.)

  17. [Special impact of supramolecular chemistry on Chinese medicine theories].

    Science.gov (United States)

    He, Fu-Yuan; Zhou, Yi-Qun; Deng, Kai-Wen; Deng, Jun-Lin; Shi, Ji-Lian; Liu, Wen-Long; Yang, Yan-Tao; Tang, Yu; Liu, Zhi-Gang

    2014-04-01

    The paper aimed to elucidate the specific impact of supramolecular chemistry on the Chinese medicine theories (CMT) in their modernization, after had summarized up the research status of supramolecular chemistry and analyzed the possible supramolecular forms of Chinese medicine (CM), as well as considered the problems in modernization of CM theories. On comparison of the classical chemistry that delt with chemical bonds among atoms, the supramolecular chemistry was rather concerned with varietes of weak noncovalent bonds intermolecules, and reflected the macro-apparent chemical properties of each molecules, and was the most appropriate chemical theories to explain the CMT and microcosmic materials. The molecules in the human body and Chinese material medica (CMM) formed supramolecules by way of self-assembly, self-organization, self-recognition and self-replication, with themselves or with complexation, composition, chelation, inclusion, neutralization etc. Meridian and Zang-fu viscera in CMT might be a space channel structure continuously consisted of unique molecules cavity that was imprinted with the supramolecularly template inside and outside of cells, through which the molecules in CMM interacted with the meridian and Zang-fu viscera. When small molecules in human body imprinted with macromolecules in meridian and Zang-fu viscera, in other words, they migrated along within imprinting channels of meridian and Zang-fu viscera on behavior of "Qi chromatography" impulsed by the heart beat, finally showed up on macroscopic the anisotropy of tissue and organ, as described namely as visceral manifestation in Chinese medical science. When small molecules in CMM interacted with imprinting channel on meridian and Zang-fu viscera, the natural properties and efficacy regularities of CMM was reflected on macroscopic. Therefore, the special representation forms of basic CMT is based on the macroscopic expression of "Qi chromatography" abided by imprinting effect

  18. Joining Forces: The Chemical Biology-Medicinal Chemistry Continuum.

    Science.gov (United States)

    Plowright, Alleyn T; Ottmann, Christian; Arkin, Michelle; Auberson, Yves P; Timmerman, Henk; Waldmann, Herbert

    2017-09-21

    The scientific advances being made across all disciplines are creating ever-increasing opportunities to enhance our knowledge of biological systems and how they relate to human disease. One of the central driving forces in discovering new medicines is medicinal chemistry, where the design and synthesis of novel compounds has led to multiple drugs. Chemical biology, sitting at the interface of many disciplines, has now emerged as a major contributor to the understanding of biological systems and is becoming an integral part of drug discovery. Bringing chemistry and biology much closer and blurring the boundaries between disciplines is creating new opportunities to probe and understand biology; both disciplines play key roles and need to join forces and work together effectively to synergize their impact. The power of chemical biology will then reach its full potential and drive innovation, leading to the discovery of transformative medicines to treat patients. Advances in cancer biology and drug discovery highlight this potential. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Acidic and basic drugs in medicinal chemistry: a perspective.

    Science.gov (United States)

    Charifson, Paul S; Walters, W Patrick

    2014-12-11

    The acid/base properties of a molecule are among the most fundamental for drug action. However, they are often overlooked in a prospective design manner unless it has been established that a certain ionization state (e.g., quaternary base or presence of a carboxylic acid) appears to be required for activity. In medicinal chemistry optimization programs it is relatively common to attenuate basicity to circumvent undesired effects such as lack of biological selectivity or safety risks such as hERG or phospholipidosis. However, teams may not prospectively explore a range of carefully chosen compound pKa values as part of an overall chemistry strategy or design hypothesis. This review summarizes the potential advantages and disadvantages of both acidic and basic drugs and provides some new analyses based on recently available public data.

  20. The medicinal chemistry of liver X receptor (LXR) modulators.

    Science.gov (United States)

    Tice, Colin M; Noto, Paul B; Fan, Kristi Yi; Zhuang, Linghang; Lala, Deepak S; Singh, Suresh B

    2014-09-11

    LXRs have been of interest as targets for the treatment of atherosclerosis for over a decade. In recent years, LXR modulators have also garnered interest for potential use in the treatment of inflammation, Alzheimer's disease (AD), dermatological conditions, hepatic steatosis, and oncology. To date, no LXR modulator has successfully progressed beyond phase I clinical trials. In this Perspective, we summarize published medicinal chemistry efforts in the context of the available crystallographic data, druglikeness, and isoform selectivity. In addition, we discuss the challenges that need to be overcome before an LXR modulator can reach clinical use.

  1. Uranium geology and chemistry, programme and book of abstracts

    International Nuclear Information System (INIS)

    Patrice Bruneton; Cathelineau, Michel; Richard, Antonin; Mercadier, Julien; Boiron, Marie-Christine; Cuney, Michel; Beaufort, D.; Patrier, P.; Goncalves, Philippe; Trap, Pierre; Van Lichtervelde, Marieke; Jeanneret, Pauline; Marquer, Didier; Feybesse, Jean-Louis; Paquette, Jean-Louis; Mercadier, Julien; Annesley, Irvine R.; Austmann, Christine L.; Creighton, Steve; Eglinger, Aurelien; Vanderhaeghe, Olivier; Andre-Mayer, Anne-Sylvie; Cuney, Michel; Goncalves, Philippe; Durand, Cyril; Feybesse, Jean-Louis; Zeyen, Hermann; Beres, Jan; Pessel, Marc; Gaffet, Stephane; Rousset, Dominique; Senechal, Guy; Dargent, Maxime; Dubessy, Jean; Caumon, Marie-Camille; Trung, Chinh-Nguyen; Richard, Antonin; Montel, Jean-Marc; Peiffert, Chantal; Leborgne, Romain; Seydoux-Guillaume, Anne-Magali; Montel, J.M.; Bingen, B.; Bosse, V.; De Parseval, Ph.; Janots, Emilie; Wirth, Richard; Reiller, Pascal E.; Marang, Laura; Jouvin, Delphine; Benedetti, Marc F.; Clavier, N.; Costin, D.T.; Mesbah, A.; Dacheux, N.; Poinssot, C.; Raimbault, Louis; Mercadier, Julien; Cuney, Michel; Moncoffre, Nathalie; Marchand, Benoit; Perrat-Mabillon, Angela; Gine, A.; Saint-Bezar, B.; Benedicto, A.; Wattinne, A.; Andre, G.; Bonnetti, Christophe; Bourlange, Sylvain; Malartre, Fabrice; Benedicto, Antonio; Liu, Xiaodong; Cretaz, F.; Szenknect, S.; Descostes, M.; Dacheux, N.; Othmane, Guillaume; Allard, Thierry; Menguy, Nicolas; Vercouter, Thomas; Morin, Guillaume; Esteve, Imene; Calas, Georges; Fayek, Mostafa; Barbarand, Jocelyn; Drot, Romuald; Grare, Alexis; Reyx, Jean; Pagel, Maurice; Brouand, Marc; Zakari, Aziz; Bidaud, Adrien; Toe, Wilfried; Milesi, Jean-Pierre; Carrouee, Simon; Moyen, Jean-Francois; Schmitt, Jean-Michel; Brouand, Marc; Bouzid, Majda; Langlais, Valerie; Hocquet, Sebastien; Munara, A.; Boulvais, P.; Carpentier, C.; Ajjabou, Leila; Ledru, Patrick; Fiet, Nicolas; Hocquet, Sebastien; Royer, Jean-Jacques; Fiet, N.; Oppeneau, T.; Berestnev, N.; Merembayev, T.; Parize, Olivier; Aouami, I.; Nedjari, A.; Mahaman, T.; Sanguinetti, H.; Uri, Freddy; Beaufort, Daniel; Riegler, Thomas; Lescuyer, Jean-Luc; Wollenberg, Peter; Dardel, Jacques; Bourgeois, Damien; Maynadie, Jerome; Meyer, Daniel; Courtaud, B.; Auger, F.; Thiry, J.; Fakhi, S.; Fait, E.; Outayad, R.; Mouflih, M.; Voque Romero, I.; Manjon, Guillermo; Ben Mansour, M.; Bouih, A.; Nourreddine, A.; El Hadi, H.; Mokhtari, Hamid; Gourgiotis, Alkiviadis; Bassot, Sylvain; Simonucci, Caroline; Diez, Olivier; Mifsud, Aurelie; Martin-Garin, Arnaud; Coppin, Frederic; Dejeant, Adrien; Galoisy, Laurence; Calas, Georges; Phrommavanh, Vannapha; Descostes, Michael; Wattine-Morice, Aurelia; Belieres, Michel; Ben Simon, Rose; Schmitt, Jean-Michel; Thiry, Medard; Megneng, Melissa; Orberger, Beate; Hofmann, Axel; Wirth, Richard; Dumas, Paule; Sandt, Christophe; Hicks, Nigel; Tudryn, Alina; Tartese, Romain; Boulvais, Philippe; Poujol, Marc

    2011-11-01

    This meeting of the French Geological Society (SGF) was organized with the joint contribution of Areva, CNRS-INSU, PACEN, GUTEC, IDES, and Paris-Sud University. This document gathers the abstracts of the following 40 presentations: 1 - Uranium deposits of 'Intrusive'-type; 2 - U deposits beneath discordance: analogy with F-Ba-Pb-Zn(Ag) 'Basin Hosted'-type deposits?; 3 - Clays and related minerals as guides for uranium deposits prospecting: status of recent advances; 4 - Hudsonian Uranium mineralizations in the Western part of the Trans-Hudsonian orogen (Saskatchewan, Canada): a source for the formation of discordance-type deposits?; 5 - U-Th elements mobilization during the Panafrican metamorphism: implication on the formation of Cu-Co-(U) deposits, Solwezi dome, NW Zambia; 6 - Fractures network characterization by seismic and electrical anisotropy; 7 - study of uranyl speciation by Raman spectroscopy in chlorinated solutions (LiCl = 0.5 to 15 M) up to 350 deg. C. Metallogenic consequences and perspectives; 8 - Experimental weathering of natural monazite in the conditions of formation of Oklo and discordance-type uranium deposits; 9 - Disturbance of the U-Th-Pb chronometers during the low temperature weathering of monazite: synergy between irradiation damages and dissolution-precipitation; 10 - U(VI) interaction with humic substances: speciation and application to independent data; 11 - Preparation and characterization of Th 1-x U x SiO 4 solid solutions: towards the understanding of coffinite formation?; 12 - A new geochemical tool for the study of U deposits: the anions in uraninite; 13 - Tectonics in the Unegt basin (E-Gobi, Mongolia): deformation stripes, hydrocarbons migration and U mineralizations; 14 - Study of U sources in the Erlian Basin (China); 15 Thermodynamic data acquisition for uranyl phosphates and vanadates: from synthetic analogues to natural samples; 16 - U speciation in Nopal I opals: geochemical consequences for the end of the deposit genesis

  2. African mistletoes (Loranthaceae); ethnopharmacology, chemistry and medicinal values: an update.

    Science.gov (United States)

    Adesina, Simeon K; Illoh, H C; Johnny, Imoh I; Jacobs, Imoh E

    2013-01-01

    Mistletoes of the Loranthaceae and Viscaceae are hemiparasitic plants and their preparations in the form of injectable extracts, infusions, tinctures, fluid extracts or tea bags are widely used in various cultures in almost every continent to treat or manage various health problems including hypertension, diabetes mellitus, inflammatory conditions, irregular menstruations, menopause, epilepsy, arthritis, cancer, etc. The medicinal values of some species of Mistletoes (Loranthaceae) growing in the West African sub-region have been reviewed along with some considerations of their chemistries and local uses. These have been compared with Mistletoes (Loranthaceae and Viscaceae) growing elsewhere in Europe and Asia. This review has attempted to update our knowledge on the values of these hemi-parasites which belong to the genera - Globimetula, Phragmanthera, Agelanthus and Tapinanthus, and which have, for years, been seen as only devastating and notorious plants. They are also seen as epiphyting economic, ornamental and medicinal plants. The hemi-parasitic plants (Mistletoes) are not well understood as very little is known about their biology (taxonomy, host/plant relationship, ecology, toxicology, physiological characteristics, etc.) and chemistry (chemical constituents' profile). Some pharmacological studies carried out on the various crude alcoholic extracts and purified fractions have, however, revealed that mistletoes showed hypotensive, hypoglycaemic, antilipidaemic, anti-oxidative, anti-inflammatory, antimicrobial, etc. effects and were non-toxic in experimental animals at the doses used. The findings showed that mistletoes can be very useful as medicinal agents in ameliorating health problems such as diabetes mellitus, hypertension, arthritis, pain, cancer and a host of other ailments if properly studied and developed.

  3. Robin Ganellin gives his views on medicinal chemistry and drug discovery. Interview by Stephen L. Carney.

    Science.gov (United States)

    Ganellin, C Robin

    2004-02-15

    Robin Ganellin was born in East London and studied chemistry at Queen Mary College, London, receiving a PhD in 1958 under Professor Michael Dewar for his research on tropylium chemistry. He joined Smith Kline & French Laboratories (SK&F) in the UK in 1958 and was one of the co-inventors of the revolutionary drug cimetidine (Tagamet(R)) He subsequently became Vice-President for Research at the company's Welwyn facility. In 1986 he was awarded a DSc from London University for his work on the medicinal chemistry of drugs acting at histamine receptors and was also made a Fellow of the Royal Society and appointed to the SK&F Chair of Medicinal Chemistry at University College London, where he is now Emeritus Professor of Medicinal Chemistry. Professor Ganellin has been honoured extensively, including such awards as the Royal Society of Chemistry Award for Medicinal Chemistry, their Tilden Medal and Lectureship and their Adrien Albert Medal and Lectureship, Le Prix Charles Mentzer de France, the ACS Division of Medicinal Chemistry Award, the Society of Chemical Industry Messel Medal and the Society for Drug Research Award for Drug Discovery. He is a past Chairman of the Society for Drug Research, was President of the Medicinal Chemistry Section of IUPAC, and is currently Chairman of the IUPAC Subcommittee on Medicinal Chemistry and Drug Development.

  4. Pharmacokinetic study with computational tools in the medicinal chemistry course

    Directory of Open Access Journals (Sweden)

    Monique Araújo de Brito

    2011-12-01

    Full Text Available To improve the teaching-learning process in the Medicinal Chemistry course, new strategies have been incorporated into practical classes of this fundamental discipline of the pharmaceutical curriculum. Many changes and improvements have been made in the area of medicinal chemistry so far, and students should be prepared for these new approaches with the use of technological resources in this field. Practical activities using computational techniques have been directed to the evaluation of chemical and physicochemical properties that affect the pharmacokinetics of drugs. Their objectives were to allow students to know these tools, to learn how to access them, to search for the structures of drugs and to analyze results. To the best of our knowledge, this is the first study in Brazil to demonstrate the use of computational practices in teaching pharmacokinetics. Practical classes using Osiris and Molinspiration were attractive to students, who developed the activities easily and acquired better theoretical knowledge.Para melhorar o processo ensino-aprendizagem no curso de Química Medicinal novas estratégias estão sendo incorporadas às aulas práticas desta disciplina fundamental do currículo farmacêutico. Muitas mudanças e melhorias vêm marcando a área de química medicinal e por isso é importante que os alunos sejam colocados nestas novas abordagens na área, com a utilização de recursos tecnológicos. As atividades práticas foram direcionadas para a avaliação dos dados químicos e físico-químicos de fármacos que influenciam as propriedades farmacocinéticas com o auxílio de técnicas computacionais. Os objetivos foram permitir aos alunos conhecer essas ferramentas, saber como acessá-las, procurar as estruturas de fármacos e analisar os resultados. Este é o primeiro estudo publicado no Brasil que apresenta aula prática computacional sobre o tema farmacocinética. As aulas práticas utilizando os servidores Osiris e

  5. Laboratory hemostasis: milestones in Clinical Chemistry and Laboratory Medicine.

    Science.gov (United States)

    Lippi, Giuseppe; Favaloro, Emmanuel J

    2013-01-01

    Hemostasis is a delicate, dynamic and intricate system, in which pro- and anti-coagulant forces cooperate for either maintaining blood fluidity under normal conditions, or else will prompt blood clot generation to limit the bleeding when the integrity of blood vessels is jeopardized. Excessive prevalence of anticoagulant forces leads to hemorrhage, whereas excessive activation of procoagulant forces triggers excessive coagulation and thrombosis. The hemostasis laboratory performs a variety of first, second and third line tests, and plays a pivotal role in diagnostic and monitoring of most hemostasis disturbances. Since the leading targets of Clinical Chemistry and Laboratory Medicine include promotion of progress in fundamental and applied research, along with publication of guidelines and recommendations in laboratory diagnostics, this journal is an ideal source of information on current developments in the laboratory technology of hemostasis, and this article is aimed to celebrate some of the most important and popular articles ever published by the journal in the filed of laboratory hemostasis.

  6. Biological Actions of Artemisinin: Insights from Medicinal Chemistry Studies

    Directory of Open Access Journals (Sweden)

    Jian Li

    2010-03-01

    Full Text Available Artemisinins have become essential antimalarial drugs for increasingly widespread drug-resistant malaria strains. Although tremendous efforts have been devoted to decipher how this class of molecules works, their exact antimalarial mechanism is still an enigma. Several hypotheses have been proposed to explain their actions, including alkylation of heme by carbon-centered free radicals, interference with proteins such as the sarcoplasmic/endoplasmic calcium ATPase (SERCA, as well as damaging of normal mitochondrial functions. Besides artemisinins, other endoperoxides with various backbones have also been synthesized, some of which showed comparable or even higher antimalarial effects. It is noteworthy that among these artemisinin derivatives, some enantiomers displayed similar in vitro malaria killing efficacy. In this article, the proposed mechanisms of action of artemisinins are reviewed in light of medicinal chemistry findings characterized by efficacy-structure studies, with the hope of gaining more insight into how these potent drugs work.

  7. Design, Properties and Recent Application of Macrocycles in Medicinal Chemistry.

    Science.gov (United States)

    Ermert, Philipp

    2017-10-25

    Macrocyclic compounds have recently received increasing attention in drug discovery as these compounds offer the potential to modulate difficult targets and to access novel chemotypes. Approaches towards libraries of macrocyclic compounds based on modular organic synthesis and applications of these technology platforms to find and improve biologically active compounds are introduced in this minireview. Alternatively, lead compounds may be obtained by truncation and modification of macrocyclic natural products. Selected medicinal chemistry programs are discussed, illustrating a macrocyclization approach toward ligands with improved properties. The design of such ligands is often informed by X-ray crystal structures of protein-ligand complexes. Efforts to understand cellular permeability and oral bioavailability of cyclic peptides and non-peptidic macrocycles are summarized.

  8. A Structural View on Medicinal Chemistry Strategies against Drug Resistance.

    Science.gov (United States)

    Agnello, Stefano; Brand, Michael; Chellat, Mathieu F; Gazzola, Silvia; Riedl, Rainer

    2018-05-30

    The natural phenomenon of drug resistance represents a generic impairment that hampers the benefits of drugs in all major clinical indications. Antibacterials and antifungals are affected as well as compounds for the treatment of cancer, viral infections or parasitic diseases. Despite the very diverse set of biological targets and organisms involved in the development of drug resistance, underlying molecular processes have been identified to understand the emergence of resistance and to overcome this detrimental mechanism. Detailed structural information of the root causes for drug resistance is nowadays frequently available to design next generation drugs anticipated to suffer less from resistance. This knowledge-based approach is a prerequisite in the fight against the inevitable occurrence of drug resistance to secure the achievements of medicinal chemistry in the future. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Student Scientific Conference, 2008. Collection of contributions. Vol. 2 - Sections of geography, geology, environment, chemistry and didactics

    International Nuclear Information System (INIS)

    2008-04-01

    The conference included the following sections: (i) Biology (114 contributions); (ii) Geography (37 contributions); (iii) Geology (24 contributions); (iv) Environment (16 contributions); (v) Chemistry (11 contributions); (vi) Didactics (8 contributions). Contributions relevant to INIS interest have been inputted to INIS.

  10. Conformational Analysis of Drug Molecules: A Practical Exercise in the Medicinal Chemistry Course

    Science.gov (United States)

    Yuriev, Elizabeth; Chalmers, David; Capuano, Ben

    2009-01-01

    Medicinal chemistry is a specialized, scientific discipline. Computational chemistry and structure-based drug design constitute important themes in the education of medicinal chemists. This problem-based task is associated with structure-based drug design lectures. It requires students to use computational techniques to investigate conformational…

  11. Meeting of the French geological society - Uranium: geology, geophysics, chemistry. Book of abstracts

    International Nuclear Information System (INIS)

    Zakari, A.A.; Mima, S.; Bidaud, A.; Criqui, P.; Menanteau, P.; David, S.; Pagel, M.; Chagnes, A.; Cote, G.; Courtaud, B.; Thiry, J.; Miehe, J.M.; Gilbert, F.; Cuney, M.; Bruneton, P.; Ewington, D.; Vautrin-Ul, C.; Cannizzo, C.; Betelu, S.; Chausse, A.; Ly, J.; Bourgeois, D.; Maynadie, J.; Meyer, D.; Clavier, N.; Costin, D.T.; Cretaz, F.; Szenknect, S.; Ravaux, J.; Poinssot, C.; Dacheux, N.; Durupt, N.; Blanvillain, J.J.; Geffroy, F.; Aparicio, B.; Dubessy, J.; Nguyen-Trung, C.; Robert, P.; Uri, F.; Beaufort, D.; Lescuyer, J.L.; Morichon, E.; Allard, T.; Milesi, J.P.; Richard, A.; Rozsypal, C.; Mercadier, J.; Banks, D.A.; Boiron, M.C.; Cathelineau, M.; Dardel, J.; Billon, S.; Patrier, P.; Wattinne, A.; Vanderhaeghe, O.; Fabre, C.; Castillo, M.; Salvi, S.; Beziat, D.; Williams-Jones, A.E.; Trap, P.; Durand, C.; Goncalves, P.; Marquer, D.; Feybesse, J.L.; Richard, Y.; Orberger, B.; Hofmann, A.; Megneng, M.; Orberger, B.; Bouttemy, M.; Vigneron, J.; Etcheberry, A.; Perdicakis, M.; Prignon, N.; Toe, W.; Andre-Mayer, A.S.; Eglinger, A.; Jordaan, T.; Hocquet, S.; Ledru, P.; Selezneva, V.; Vendryes, G.; Lach, P.; Cuney, M.; Mercadier, J.; Brouand, M.; Duran, C.; Seydoux-Guillaume, A.M.; Bingen, B.; Parseval, P. de; Guillaume, D.; Bosse, V.; Paquette, J.L.; Ingrin, J.; Montel, J.M.; Giot, R.; Maucotel, F.; Hubert, S.; Gautheron, C.; Tassan-Got, L.; Pagel, M.; Barbarand, J.; Cuney, M.; Lach, P.; Bonhoure, J.; Leisen, M.; Kister, P.; Salaun, A.; Villemant, B.; Gerard, M.; Komorowski, J.C.; Michel, A.; Riegler, T.; Tartese, R.; Boulvais, P.; Poujols, M.; Gloaguen, E.; Mazzanti, M.; Mougel, V.; Nocton, G.; Biswas, B.; Pecaut, J.; Othmane, G.; Menguy, N.; Vercouter, T.; Morin, G.; Galoisy, L.; Calas, G.; Fayek, M.

    2010-11-01

    This document brings together the abstracts of the 39 presentations given at this meeting days on uranium, organized by the French geological society, and dealing with: 1 - Prospective study of the electronuclear technological transition; 2 - The front-end of the nuclear cycle: from the molecule to the process; 3 - Geophysics: recent changes; 4 - Use of well logging in uranium exploration; 5 - Genetical classification of thorium deposits; 6 - Genetical nomenclature of uranium sources; 7 - Uranium deposits linked to a Proterozoic discordance - retrospective; 8 - The use of spectral analysis techniques in uranium exploration: real-time mapping of clay alteration features; 9 - Development of functionalized silk-screened carbon electrodes for the analysis of uranium trace amounts; 10 - Study of the actinides solvation sphere in organic environment; 11 - Thermodynamic of uraniferous phases of interest for the nuclear cycle; 12 - Heap leaching of marginal minerals at Somair: from lab studies to the production of 700 t of uranium/year; 13 - Agglomeration phenomenology and role of iron in uranium heap leaching; 14 - Chloride uranyl complexes up to 300 deg. C along the saturation vapour curve: Raman spectroscopy analysis and metallogenic consequences; 15 - Weathering systems in the Shea Creek deposit (Athabasca, Canada): vertical variability of argillaceous weathering; 16 - Weathering systems in the Shea Creek deposit (Athabasca, Canada): contribution of irradiation defects in clays to the tracing of past uranium migrations; 17 - Uranium concentrations in mineralizing fluids of the Athabasca basin: analytical and experimental approach; 18 - Paleo-surfaces and metallic rooting: the autochthonous uranium of pre-Athabasca paleo-alterites, Canada; 19 - Distribution of argillaceous parageneses in the Imouraren deposit - Niger; 20 - Heat flux and radioelements concentration (U, Th, K) of precambrian basements: implications in terms of crust growth mechanisms, paleo

  12. Evaluation of stream chemistry trends in US Geological Survey reference watersheds, 1970-2010.

    Science.gov (United States)

    Mast, M Alisa

    2013-11-01

    The Hydrologic Benchmark Network (HBN) is a long-term monitoring program established by the US Geological Survey in the 1960s to track changes in the streamflow and stream chemistry in undeveloped watersheds across the USA. Trends in stream chemistry were tested at 15 HBN stations over two periods (1970-2010 and 1990-2010) using the parametric Load Estimator (LOADEST) model and the nonparametric seasonal Kendall test. Trends in annual streamflow and precipitation chemistry also were tested to help identify likely drivers of changes in stream chemistry. At stations in the northeastern USA, there were significant declines in stream sulfate, which were consistent with declines in sulfate deposition resulting from the reductions in SO₂ emissions mandated under the Clean Air Act Amendments. Sulfate declines in stream water were smaller than declines in deposition suggesting sulfate may be accumulating in watershed soils and thereby delaying the stream response to improvements in deposition. Trends in stream chemistry at stations in other part of the country generally were attributed to climate variability or land disturbance. Despite declines in sulfate deposition, increasing stream sulfate was observed at several stations and appeared to be linked to periods of drought or declining streamflow. Falling water tables might have enhanced oxidation of organic matter in wetlands or pyrite in mineralized bedrock thereby increasing sulfate export in surface water. Increasing sulfate and nitrate at a station in the western USA were attributed to release of soluble salts and nutrients from soils following a large wildfire in the watershed.

  13. Evaluation of stream chemistry trends in US Geological Survey reference watersheds, 1970-2010

    Science.gov (United States)

    Mast, M. Alisa

    2013-01-01

    The Hydrologic Benchmark Network (HBN) is a long-term monitoring program established by the US Geological Survey in the 1960s to track changes in the streamflow and stream chemistry in undeveloped watersheds across the USA. Trends in stream chemistry were tested at 15 HBN stations over two periods (1970–2010 and 1990–2010) using the parametric Load Estimator (LOADEST) model and the nonparametric seasonal Kendall test. Trends in annual streamflow and precipitation chemistry also were tested to help identify likely drivers of changes in stream chemistry. At stations in the northeastern USA, there were significant declines in stream sulfate, which were consistent with declines in sulfate deposition resulting from the reductions in SO2 emissions mandated under the Clean Air Act Amendments. Sulfate declines in stream water were smaller than declines in deposition suggesting sulfate may be accumulating in watershed soils and thereby delaying the stream response to improvements in deposition. Trends in stream chemistry at stations in other part of the country generally were attributed to climate variability or land disturbance. Despite declines in sulfate deposition, increasing stream sulfate was observed at several stations and appeared to be linked to periods of drought or declining streamflow. Falling water tables might have enhanced oxidation of organic matter in wetlands or pyrite in mineralized bedrock thereby increasing sulfate export in surface water. Increasing sulfate and nitrate at a station in the western USA were attributed to release of soluble salts and nutrients from soils following a large wildfire in the watershed.

  14. Geologic map of Medicine Lake volcano, northern California

    Science.gov (United States)

    Donnelly-Nolan, Julie M.

    2011-01-01

    Medicine Lake volcano forms a broad, seemingly nondescript highland, as viewed from any angle on the ground. Seen from an airplane, however, treeless lava flows are scattered across the surface of this potentially active volcanic edifice. Lavas of Medicine Lake volcano, which range in composition from basalt through rhyolite, cover more than 2,000 km2 east of the main axis of the Cascade Range in northern California. Across the Cascade Range axis to the west-southwest is Mount Shasta, its towering volcanic neighbor, whose stratocone shape contrasts with the broad shield shape of Medicine Lake volcano. Hidden in the center of Medicine Lake volcano is a 7 km by 12 km summit caldera in which nestles its namesake, Medicine Lake. The flanks of Medicine Lake volcano, which are dotted with cinder cones, slope gently upward to the caldera rim, which reaches an elevation of nearly 8,000 ft (2,440 m). The maximum extent of lavas from this half-million-year-old volcano is about 80 km north-south by 45 km east-west. In postglacial time, 17 eruptions have added approximately 7.5 km3 to its total estimated volume of 600 km3, and it is considered to be the largest by volume among volcanoes of the Cascades arc. The volcano has erupted nine times in the past 5,200 years, a rate more frequent than has been documented at all other Cascades arc volcanoes except Mount St. Helens.

  15. Pharmacodynamic-pharmacokinetic integration as a guide to medicinal chemistry.

    Science.gov (United States)

    Gabrielsson, Johan; Fjellström, Ola; Ulander, Johan; Rowley, Michael; Van Der Graaf, Piet H

    2011-01-01

    A primary objective of pharmacokinetic-pharmacodynamic (PKPD) reasoning is to identify key in vivo drug and system proper¬ties, enabling prediction of the magnitude and time course of drug responses under physiological and pathological conditions in animals and man. Since the pharmacological response generated by a drug is highly dependent on the actual system used to study its action, knowledge about its potency and efficacy at a given concentration or dose is insufficient to obtain a proper understanding of its pharmacodynamic profile. Hence, the output of PKPD activities extends beyond the provision of quantitative measures (models) of results, to the design of future protocols. Furthermore, because PKPD integrates DMPK (e.g. clearance) and pharmacology (e.g. potency),it provides an anchor point for compound selection, and, as such, should be viewed as an important weapon in medicinal chemistry. Here we outline key PK concepts relevant to PD, and then consider real-life experiments to illustrate the importance to the medicinal chemist of data obtained by PKPD. Useful assumptions and potential pitfalls are described, providing a holistic view of the plethora of determinants behind in vitro-in vivo correlations. By condensing complexity to simplicity, there are not only consequences for experimental design, and for the ranking and design of compounds, but it is also possible to make important predictions such as the impact of changes in drug potency and kinetics. In short, by using quantitative methods to tease apart pharmacodynamic complexities such as temporal differences and changes in plasma protein binding, it is possible to target the changes necessary for improving a compound's profile.

  16. Bilingual encyclopedic dictionary English-Spanish in sciences: mining, chemistry, geology, metallurgic and environment

    International Nuclear Information System (INIS)

    Munoz Maradona, M.; Bellini, R.; Busleiman, M.

    2007-01-01

    This dictionary has been designed to satisfy scientists, researchers, technicians, interpreters, translators and students needs in the areas of chemistry, geology, mining, metallurgy and environment if they find it necessary to have an English-Spanish encyclopedia for their sciences. It is a reliable book when looking for words that are normally not included in everyday dictionaries. It is now reaching the final revision stage with more than 15,000 entries. It includes scientific terms, chemical formulas of minerals and other elements, noticeable scientists biographies, tables, graphics, and images so as to help readers understanding. It is divided into three columns: the first one presents the English term and its area of concern; the second, the corresponding Spanish equivalent, and in the third, a suitable explanation In this work has been stablished a relation betwwen geological units and mineralizations related with the aim to understand the hydrochemistry in this area for future environmental impact

  17. Contributions of charge-density research to medicinal chemistry

    Directory of Open Access Journals (Sweden)

    Birger Dittrich

    2014-11-01

    Full Text Available This article reviews efforts in accurate experimental charge-density studies with relevance to medicinal chemistry. Initially, classical charge-density studies that measure electron density distribution via least-squares refinement of aspherical-atom population parameters are summarized. Next, interaction density is discussed as an idealized situation resembling drug–receptor interactions. Scattering-factor databases play an increasing role in charge-density research, and they can be applied both to small-molecule and macromolecular structures in refinement and analysis; software development facilitates their use. Therefore combining both of these complementary branches of X-ray crystallography is recommended, and examples are given where such a combination already proved useful. On the side of the experiment, new pixel detectors are allowing rapid measurements, thereby enabling both high-throughput small-molecule studies and macromolecular structure determination to higher resolutions. Currently, the most ambitious studies compute intermolecular interaction energies of drug–receptor complexes, and it is recommended that future studies benefit from recent method developments. Selected new developments in theoretical charge-density studies are discussed with emphasis on its symbiotic relation to crystallography.

  18. Time evolution of the Clay Barrier Chemistry in a HLW deep geological disposal in granite

    International Nuclear Information System (INIS)

    Font, I.; Miguel, M. J.; Juncosa, R.

    2000-01-01

    The main goal of a high level waste geological disposal is to guarantee the waste isolation from the biosphere, locking them away into very deep geological formations. The best way to assure the isolation is by means of a multiple barrier system. These barriers, in a serial disposition, should assure the confinement function of the disposal system. Two kinds of barriers are considered: natural barriers (geological formations) and engineered barriers (waste form, container and backfilling and sealing materials). Bentonite is selected as backfilling and sealing materials for HLW disposal into granite formations, due to its very low permeability and its ability to fill the remaining spaces. bentonite has also other interesting properties, such as, the radionuclide retention capacity by sorption processes. Once the clay barrier has been placed, the saturation process starts. The granite groundwater fills up the voids of the bentonite and because of the chemical interactions, the groundwater chemical composition varies. Near field processes, such as canister corrosion, waste leaching and radionuclide release, strongly depends on the water chemical composition. Bentonite pore water composition is such a very important feature of the disposal system and its determination and its evolution have great relevance in the HLW deep geological disposal performance assessment. The process used for the determination of the clay barrier pore water chemistry temporal evolution, and its influence on the performance assessment, are presented in this paper. (Author)

  19. The 10th Joint Meeting on Medicinal Chemistry (JMMC 2017) Held in Dubrovnik, Croatia.

    Science.gov (United States)

    Perković, Ivana; Stepanić, Višnja; Marković, Vesna Gabelica

    2018-01-08

    The Croatian Chemical Society was established in 1926 and has developed over the decades into a society that actively supports all chemical activities in Croatia. The Society has eight divisions, the youngest of which, the Division of Medicinal and Pharmaceutical Chemistry, was established in 2012 and immediately became a member of the European Federation of Medicinal Chemistry (EFMC). The mission of the Medicinal and Pharmaceutical Chemistry Division is the promotion and development of scientific, professional, and educational activities within the medicinal chemistry community in Croatia, as well as to build partnerships and collaborations with other primarily EU-based medicinal chemistry societies. In Croatia, medicinal chemistry research is ongoing at several institutes, including the University of Zagreb (Faculty of Science, Faculty of Pharmacy and Biochemistry, and Faculty of Chemical Engineering and Technology), national institutes of science (Ruđer Bošković Institute), and private-sector drug discovery companies (CRO Fidelta Ltd.). In order to effectively exchange knowledge, ideas, and scientific results, Croatian medicinal chemists meet twice annually. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. The European Register of Specialists in Clinical Chemistry and Laboratory Medicine: guide to the Register, version 3-2010

    DEFF Research Database (Denmark)

    McMurray, Janet; Zérah, Simone; Hallworth, Michael

    2010-01-01

    In 1997, the European Communities Confederation of Clinical Chemistry and Laboratory Medicine (EC4) set up a Register for European Specialists in Clinical Chemistry and Laboratory Medicine. The operation of the Register is undertaken by a Register Commission (EC4RC). During the last 12 years, more...... than 2200 specialists in Clinical Chemistry and Laboratory Medicine have joined the Register. In 2007, EC4 merged with the Forum of European Societies of Clinical Chemistry and Laboratory Medicine (FESCC) to form the European Federation of Clinical Chemistry and Laboratory Medicine (EFCC). Two previous...

  1. The 52nd International Conference on Medicinal Chemistry (RICT 2016) of the French Medicinal Chemistry Society (SCT) Held in Caen (Normandy).

    Science.gov (United States)

    Sapi, Janos; Van Hijfte, Luc; Dallemagne, Patrick

    2017-06-21

    Outstanding Medchem in France: Guest editors Janos Sapi, Luc Van Hjfte, and Patrick Dallemagne look back at the 52 nd International Conference on Medicinal Chemistry (RICT 2016) held in Caen, France. They discuss the history of the French Medicinal Chemistry Society (Société de Chimie Thérapeutique, SCT) and provide highlights of last year's events, including some key presentations now collected in this Special Issue. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. 5-Ene-4-thiazolidinones - An efficient tool in medicinal chemistry.

    Science.gov (United States)

    Kaminskyy, Danylo; Kryshchyshyn, Anna; Lesyk, Roman

    2017-11-10

    The presented review is an attempt to summarize a huge volume of data on 5-ene-4-thiazolidinones being a widely studied class of small molecules used in modern organic and medicinal chemistry. The manuscript covers approaches to the synthesis of 5-ene-4-thiazolidinone derivatives: modification of the C5 position of the basic core; synthesis of the target compounds in the one-pot or multistage reactions or transformation of other related heterocycles. The most prominent pharmacological profiles of 5-ene derivatives of different 4-thiazolidinone subtypes belonging to hit-, lead-compounds, drug-candidates and drugs as well as the most studied targets have been discussed. Currently target compounds (especially 5-en-rhodanines) are assigned as frequent hitters or pan-assay interference compounds (PAINS) within high-throughput screening campaigns. Nevertheless, the crucial impact of the presence/nature of C5 substituent (namely 5-ene) on the pharmacological effects of 5-ene-4-thiazolidinones was confirmed by the numerous listed findings from the original articles. The main directions for active 5-ene-4-thiazolidinones optimization have been shown: i) complication of the fragment in the C5 position; ii) introduction of the substituents in the N3 position (especially fragments with carboxylic group or its derivatives); iii) annealing in complex heterocyclic systems; iv) combination with other pharmacologically attractive fragments within hybrid pharmacophore approach. Moreover, the utilization of 5-ene-4-thiazolidinones in the synthesis of complex compounds with potent pharmacological application is described. The chemical transformations cover mainly the reactions which involve the exocyclic double bond in C5 position of the main core and correspond to the abovementioned direction of the 5-ene-4-thiazolidinone modification. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  3. Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

    Science.gov (United States)

    Griffen, Edward J; Dossetter, Alexander G; Leach, Andrew G; Montague, Shane

    2018-03-22

    AI comes to lead optimization: medicinal chemistry in all disease areas can be accelerated by exploiting our pre-competitive knowledge in an unbiased way. Copyright © 2018 Elsevier Ltd. All rights reserved.

  4. Viewpoint of defining the groundwater chemistry for the performance assessment on geological disposal of high level radioactive waste

    International Nuclear Information System (INIS)

    Sasamoto, Hiroshi; Yui, Mikazu

    2000-01-01

    This report presents the viewpoint of defining the groundwater chemistry for performance assessment of the second progress report for research and development on geological disposal. Based on the results of statistical analysis (binary scatter plots) of the measured data in addition to the consideration of the first progress report, we defined the five hypothetically modeled groundwaters considering the general geological conditions and importance for performance assessment. In order to evaluate the priority of groundwater chemistries, we have analyzed the above five hypothetical groundwaters by considering the results of multivariate statistical analyses, data reliability, evidence for geochemical controls on groundwater chemistry and exclusion criteria for potential repository sites in Japan. As a result, the fresh reducing high pH (FRHP) type groundwater has been selected for the Reference Case analysis, and the saline reducing high pH (SRHP) type groundwater has been selected for the Alternative Geological Environmental Case analysis, respectively. (author)

  5. [Study on meridian tropism of medicinal property theory for Chines medicines by supramolecular chemistry (I)].

    Science.gov (United States)

    He, Fu-yuan; Deng, Kai-wen; Yang, Yan-tao; Zhou, Yi-qun; Shi, Ji-lian; Liu, Wen-long; Tang, Yu

    2015-04-01

    In this paper, based on the special influence of supramolecular chemistry on the basic theory of Chinese medicines ( CM) , the authors further analyzed the history of meridian tropism and natural origins of CM organisms and explained CM ingredients and the universal regularity of the automatic action of the supramolecular "imprinting templates" hole channel structure. After entering human bodies, CMs, as the aggregation of supramolecular "imprinting templates" , automatically seek supramolecular subjects that are matched with their "imprinting templates" in human meridians and organs for the purpose of self-recognition, self-organization, self-assembly and self-replication, so as to generate specific efficacy in meridians and organs, which is reflected as the meridian tropism phenomena at macro level. This regularity can be studied by in vitro and in vivo experimental studies. In vitro methods are mostly supra molecular structure analysis and kinetic and thermodynamic parameter calculation; Whereas in vivo methods are dominated by the analysis on object component distribution, chromatopharmacodynamic parameters and network chromatopharmacodynamic parameters; Particularly, the acupoint-medicine method can simplify to study the supramolecular subject-object relations. Consequently, CM's'meridian tropism reveals the universal regularity for interactions of macromolecular and micromolecular "imprinting templates" of subjects and objects in natural organisms. As the first barrier for the material base of the CM theory and breakthrough in the modernization of the basic CM theory, meridian tropism plays an important role in studies on basic theories of the basic CM theory.

  6. Synthesis of fused bicyclic piperidines: potential bioactive templates for medicinal chemistry.

    Science.gov (United States)

    Zhou, Jinglan; Campbell-Conroy, Erica L; Silina, Alina; Uy, Johnny; Pierre, Fabrice; Hurley, Dennis J; Hilgraf, Nicole; Frieman, Bryan A; DeNinno, Michael P

    2015-01-02

    An array of six pyridyl-substituted fused bicyclic piperidines was prepared as novel cores for medicinal chemistry. For maximum diversity, the size of the fused ring varied from three to six atoms and contained up to two oxygen atoms. The pyridine ring was incorporated to improve physicochemical properties and to challenge the robustness of the chemistry. The presence of the pyridine did interfere with our initial approaches to these molecules, and in several instances, a blocking strategy had to be employed. These new scaffolds possess high sp3 character and may prove useful in multiple medicinal chemistry applications.

  7. Analysis of Dextromethorphan in Cough Drops and Syrups: A Medicinal Chemistry Laboratory

    Science.gov (United States)

    Hamilton, Todd M.; Wiseman, Frank L., Jr.

    2009-01-01

    Fluorescence spectroscopy is used to determine the quantity of dextromethorphan hydrobromide (DM) in over-the-counter (OTC) cough drops and syrups. This experiment is appropriate for an undergraduate medicinal chemistry laboratory course when studying OTC medicines and active ingredients. Students prepare the cough drops and syrups for analysis,…

  8. "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…

  9. Creation of medicinal chemistry learning communities through enhanced technology and interdisciplinary collaboration.

    Science.gov (United States)

    Henriksen, Brian; Roche, Victoria

    2012-10-12

    Objectives. To build an integrated medicinal chemistry learning community of campus and distance pharmacy students though the use of innovative technology and interdisciplinary teaching.Design. Mechanisms were implemented to bring distance students into campus-based medicinal chemistry classrooms in real time, stimulate interaction between instructors and various student cohorts, and promote group work during class. Also, pharmacy clinician colleagues were recruited to contribute to the teaching of the 3 medicinal chemistry courses.Assessment. Student perceptions on the value of technology to build community and advance learning were gleaned from course evaluations, in class feedback, and conversations with class officers and student groups. Responses on a survey of second-year students confirmed the benefits of interdisciplinary content integration on engagement and awareness of the connection between drug chemistry and pharmacy practice. A survey of clinician colleagues who contributed to teaching the 3 medicinal chemistry courses found their views were similar to those of students.Conclusions. The purposeful use of technology united learners, fostered communication, and advanced content comprehension in 3 medicinal chemistry courses taught to campus and distance students. Teaching collaboration with pharmacy clinicians enhanced learner interest in course content and provided insight into the integrated nature of the profession of pharmacy.

  10. Encyclopedic dictionary bilingual English-Spanish of sciences: mining, chemistry, geology, metallurgy and environment

    International Nuclear Information System (INIS)

    Munoz Maradona, M.; Bellini, M.; Busleiman, M.

    2007-01-01

    This dictionary has been designed to satisfy scientists, researchers, technicians, interpreters, translators and students' needs in the areas of chemistry, geology, mining, metallurgy and environment for they find it necessary to have an English- Spanish encyclopedia on their sciences. It is a reliable book when looking for words that are normally not included in everyday dictionaries. It is now reaching the final revision stage with more than 15,000 entries. It includes scientific terms, chemical formulas of minerals and other elements, noticeable scientists' biographies, tables, graphics, and images so as to help readers' understanding. It is divided into three columns: the first one presents the English term and its area of concern; the second, the corresponding Spanish equivalent, and in the third, a suitable explanation.(author)

  11. Investigation of silicate surface chemistry and reaction mechanisms associated with mass transport in geologic media

    International Nuclear Information System (INIS)

    White, A.F.; Perry, D.L.

    1982-01-01

    The concentration and rate of transport of radionuclides through geologic media can be strongly influenced by the extent of sorption on aquifer surfaces. Over time intervals relevant to such transport processes, rock and mineral surfaces cannot be considered as inert, unreactive substrates but rather as groundwater/solidphase interfaces which are commonly in a state of natural or artificially induced disequilibrium. The goal of the present research is to define experimentally the type of water/rock interactions that will influence surface chemistry and hence sorption characteristics and capacities of natural aquifers. As wide a range of silicate minerals as possible was selected for study to represent rock-forming minerals in basalt, tuff, and granite. The minerals include K-feldspar, plagioclase feldspar, olivine, hornblende, biotite, and volcanic glass

  12. Unusual Undergraduate Training in Medicinal Chemistry in Collaboration between Academia and Industry.

    Science.gov (United States)

    McInally, Thomas; Macdonald, Simon J F

    2017-10-12

    Globalization has driven new paradigms for drug discovery and development. Activities previously carried out predominantly in the United States, Europe, and Japan are now carried out globally. This has caused considerable change in large pharma including how medicinal chemists are trained. Described here is the training of chemistry undergraduates in medicinal chemistry (as practiced in industry) in two modules developed in collaboration between the University of Nottingham (UoN) and GlaxoSmithKline (GSK). The students complete several design-synthesize-test iterations on medicinal chemistry projects where they carry out the design and synthesis, and GSK tests the compounds. Considerable emphasis is placed on standard design properties used within industry. The modules are popular with the students and usually oversubscribed. An unexpected benefit has been the opportunities that have emerged with research and commercial potential. Graduate and postgraduate training of medicinal chemists at GSK is also briefly described.

  13. 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.

  14. NATO Advanced Research Workshop on Chemical Instabilities : Applications in Chemistry, Engineering, Geology, and Materials Science

    CERN Document Server

    Baras, F

    1984-01-01

    On March 14-18, 1983 a workshop on "Chemical Instabilities: Applications in Chemistry, Engineering, Geology, and Materials Science" was held in Austin, Texas, U.S.A. It was organized jointly by the University of Texas at Austin and the Universite Libre de Bruxelles and sponsored qy NATO, NSF, the University of Texas at Austin, the International Solvay Institutes and the Ex­ xon Corporation. The present Volume includes most of the material of the in­ vited lectures delivered in the workshop as well as material from some posters, whose content was directly related to the themes of the invited lectures. In ,recent years, problems related to the stability and the nonlinear dynamics of nonequilibrium systems invaded a great num­ ber of fields ranging from abstract mathematics to biology. One of the most striking aspects of this development is that subjects reputed to be "classical" and "well-established" like chemistry, turned out to give rise to a rich variety of phenomena leading to multiple steady states and...

  15. 2nd Anglo-Croatian Medicinal Symposium on Macrocycles Medicinal Chemistry and Beyond-the-Rule-of-Five

    Directory of Open Access Journals (Sweden)

    Vitomir Šunjić

    2016-09-01

    Full Text Available Second international symposium was jointly organized by the Biological and Medicinal Sector of the Royal Society of Chemistry (RSC and by the Croatian Chemical Society (CCS on October 17–18, 2016, in Zagreb, Croatia. This work is licensed under a Creative Commons Attribution 4.0 International License.

  16. Geology, Streamflow, and Water Chemistry of the Talufofo Stream Basin, Saipan, Northern Mariana Islands

    Science.gov (United States)

    Izuka, Scot K.; Ewart, Charles J.

    1995-01-01

    A study of the geology, streamflow, and water chemistry of Talufofo Stream Basin, Saipan, Commonwealth of the Northern Mariana Islands, was undertaken to determine the flow characteristics of Talufofo Stream and the relation to the geology of the drainage basin. The Commonwealth government is exploring the feasibility of using water from Talufofo Stream to supplement Saipan's stressed municipal water supply. Streamflow records from gaging stations on the principal forks of Talufofo Stream indicate that peak streamflows and long-term average flow are higher at the South Fork gaging station than at the Middle Fork gaging station because the drainage area of the South Fork gaging station is larger, but persistent base flow from ground-water discharge during dry weather is greater in the Middle Fork gaging station. The sum of the average flows at the Middle Fork and South Fork gaging stations, plus an estimate of the average flow at a point in the lower reaches of the North Fork, is about 2.96 cubic feet per second or 1.91 million gallons per day. Although this average represents the theoretical maximum long-term draft rate possible from the Talufofo Stream Basin if an adequate reservoir can be built, the actual amount of surface water available will be less because of evaporation, leaks, induced infiltration, and reservoir-design constraints. Base-flow characteristics, such as stream seepage and spring discharge, are related to geology of the basin. Base flow in the Talufofo Stream Basin originates as discharge from springs near the base of limestones located in the headwaters of Talufofo Stream, flows over low-permeability volcanic rocks in the middle reaches, and seeps back into the high-permeability limestones in the lower reaches. Water sampled from Talufofo Stream during base flow had high dissolved-calcium concentrations (between 35 and 98 milligrams per liter), characteristic of water from a limestone aquifer. Concentrations of potassium, sodium, and chloride

  17. PHARMACOLOGICAL AND MEDICINAL CHEMISTRY ASPECTS OF CANNABIS COMPOUNDS

    Directory of Open Access Journals (Sweden)

    T. Cotelea

    2011-12-01

    Full Text Available The current communication includes a general overview of the scientific interest and medicianl chemistry aspects of Cannabis compounds. It relates to metabolism, pharmacological action and phisico-chemical analysis of these compounds, as well as of some isomers differing in spatial arrangement of functional groups.

  18. Recent progress in understanding activity cliffs and their utility in medicinal chemistry.

    Science.gov (United States)

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

    2014-01-09

    The activity cliff concept is of high relevance for medicinal chemistry. Recent studies are discussed that have further refined our understanding of activity cliffs and suggested different ways of exploiting activity cliff information. These include alternative approaches to define and classify activity cliffs in two and three dimensions, data mining investigations to systematically detect all possible activity cliffs, the introduction of computational methods to predict activity cliffs, and studies designed to explore activity cliff progression in medicinal chemistry. The discussion of these studies is complemented with new findings revealing the frequency of activity cliff formation when different molecular representations are used and the distribution of activity cliffs across different targets. Taken together, the results have a number of implications for the practice of medicinal chemistry.

  19. Interview with Future Medicinal Chemistry's US Senior Editor, Iwao Ojima. Interview by Issac Bruce.

    Science.gov (United States)

    Ojima, Iwao

    2012-10-01

    Professor Iwao Ojima studied at the University of Tokyo (Japan) before being appointed as a Senior Research Fellow and Group Leader at the Sagami Institute of Chemical Research. He is now Director of the Institute of Chemical Biology and Drug Discovery at State University of New York (USA) and has been a visiting professor in European, North American and Asian academic institutions. Professor Ojima agreed to serve as the US Senior Editor of Future Medicinal Chemistry when it launched in 2009 and continues to provide his expertise to the journal. Professor Ojima spoke to Future Medicinal Chemistry about why medicinal chemistry is such an exciting field to work in, the state of the pharmaceutical industry, and what features and issues make this journal unique.

  20. 1st Joint European Conference on Therapeutic Targets and Medicinal Chemistry (TTMC 2015)

    Science.gov (United States)

    Le Borgne, Marc; Haidar, Samer; Duval, Olivier; Wünsch, Bernhard; Jose, Joachim

    2015-01-01

    The European Conference on Therapeutic Targets and Medicinal Chemistry is a new two-day meeting on drug discovery that is focused on therapeutic targets and the use of tools to explore all fields of drug discovery and drug design such as molecular modelling, bioorganic chemistry, NMR studies, fragment screening, in vitro assays, in vivo assays, structure activity relationships, autodisplay. Abstracts of keynote lectures, plenary lectures, junior lectures, flash presentations, and posters presented during the meeting are collected in this report. PMID:26712767

  1. Serving the medicinal chemistry community with Royal Society of Chemistry cheminformatics platforms

    OpenAIRE

    Williams, Antony

    2015-01-01

    The Royal Society of Chemistry (RSC) is a major participant in providing access to chemistry related data via the web. As an internationally renowned society for the chemical sciences, a scientific publisher and the host of the ChemSpider database for the community, RSC continues to make dramatic strides in providing online access to data. ChemSpider provides access to over 30 million chemicals sourced from over 500 data suppliers and linked out to related information on the web. The platform...

  2. 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.

  3. Recent advance in oxazole-based medicinal chemistry.

    Science.gov (United States)

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

    2018-01-20

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

  4. Ten Years of Medicinal Chemistry (2005-2014) in the Journal of Medicinal Chemistry: Country of Contributors, Topics, and Public-Private Partnerships.

    Science.gov (United States)

    Costantino, Luca; Barlocco, Daniela

    2016-08-25

    This review analyzes the articles that have appeared during the past 10 years in the Journal of Medicinal Chemistry, the leading journal in the field of medicinal chemistry, to provide a picture of the changing trends in this research area. Our analysis involved the country of the corresponding author, assuming that he/she was the leader of the research group, the interaction between private and public sectors, and the research topics. This analysis provides information on the contributions to the journal of authors from each country and highlights the differences between the public and private sectors regarding the research topics pursued. Moreover, changes in the number of articles that describe work on hits, leads, or clinical candidates during these years have been correlated with the affiliation of the contributors (public or private). An analysis of top-cited articles that have appeared in the journal has also been included. The data will provide the basis for understanding the evolution that is taking place in medicinal chemistry.

  5. A medicinal chemistry perspective on 4-aminoquinoline antimalarial drugs.

    Science.gov (United States)

    O'Neill, Paul M; Ward, Stephen A; Berry, Neil G; Jeyadevan, J Prince; Biagini, Giancarlo A; Asadollaly, Egbaleh; Park, B Kevin; Bray, Patrick G

    2006-01-01

    A broad overview is presented describing the current knowledge and the ongoing research concerning the 4-aminoquinolines (4AQ) as chemotherapeutic antimalarial agents. Included are discussions of mechanism of action, structure activity relationships (SAR), chemistry, metabolism and toxicity and parasite resistance mechanisms. In discussions of SAR, particular emphasis has been given to activity versus chloroquine resistant strains of Plasmodium falciparum. Promising new lead compounds undergoing development are described and an overview of physicochemical properties of chloroquine and amodiaquine analogues is also included.

  6. Diversity-oriented synthesis-facilitated medicinal chemistry: toward the development of novel antimalarial agents.

    Science.gov (United States)

    Comer, Eamon; Beaudoin, Jennifer A; Kato, Nobutaka; Fitzgerald, Mark E; Heidebrecht, Richard W; Lee, Maurice duPont; Masi, Daniela; Mercier, Marion; Mulrooney, Carol; Muncipinto, Giovanni; Rowley, Ann; Crespo-Llado, Keila; Serrano, Adelfa E; Lukens, Amanda K; Wiegand, Roger C; Wirth, Dyann F; Palmer, Michelle A; Foley, Michael A; Munoz, Benito; Scherer, Christina A; Duvall, Jeremy R; Schreiber, Stuart L

    2014-10-23

    Here, we describe medicinal chemistry that was accelerated by a diversity-oriented synthesis (DOS) pathway, and in vivo studies of our previously reported macrocyclic antimalarial agent that derived from the synthetic pathway. Structure-activity relationships that focused on both appendage and skeletal features yielded a nanomolar inhibitor of P. falciparum asexual blood-stage growth with improved solubility and microsomal stability and reduced hERG binding. The build/couple/pair (B/C/P) synthetic strategy, used in the preparation of the original screening library, facilitated medicinal chemistry optimization of the antimalarial lead.

  7. Geology, hydrology, chemistry, and microbiology of the in situ bioremediation demonstration site

    International Nuclear Information System (INIS)

    Newcomer, D.R.; Doremus, L.A.; Hall, S.H.; Truex, M.J.; Vermeul, V.R.; Engelman, R.E.

    1995-03-01

    This report summarizes characterization information on the geology, hydrology, microbiology, contaminant distribution, and ground-water chemistry to support demonstration of in situ bioremediation at the Hanford Site. The purpose of this information is to provide baseline conditions, including a conceptual model of the aquifer being utilized for in situ bioremediation. Data were collected from sampling and other characterization activities associated with three wells drilled in the upper part of the suprabasalt aquifer. Results of point-dilution tracer tests, conducted in the upper 9 m (30 ft) of the aquifer, showed that most ground-water flow occurs in the upper part of this zone, which is consistent with hydraulic test results and geologic and geophysical data. Other tracer test results indicated that natural ground-water flow velocity is equal to or less than about 0.03 m/d (0.1 ft/d). Laboratory hydraulic conductivity measurements, which represent the local distribution of vertical hydraulic conductivity, varied up to three orders of magnitude. Based on concentration data from both the vadose and saturated zone, it is suggested that most, if not all, of the carbon tetrachloride detected is representative of the aqueous phase. Concentrations of carbon tetrachloride, associated with a contaminant plume in the 200-West Area, ranged from approximately 500 to 3,800 μg/L in the aqueous phase and from approximately 10 to 290 μg/L in the solid phase at the demonstration site. Carbon tetrachloride gas was detected in the vadose zone, suggesting volatilization and subsequent upward migration from the saturated zone

  8. Groundwater Chemistry Regulated by Hydrochemical Processes and Geological Structures: A Case Study in Tongchuan, China

    Directory of Open Access Journals (Sweden)

    Xinyan Li

    2018-03-01

    Full Text Available Knowledge of hydrochemical processes in groundwater helps to identify the relationship between geochemical processes and groundwater quality as well as to understand the hydrochemical evaluation of groundwater, which is important for the sustainable management of groundwater resources. This study aims to identify the chemical characteristics of groundwater in the area of Tongchuan City, China. A total of 58 groundwater samples were collected. A hierarchical cluster analysis divided samples into three clusters and six sub-clusters (cluster 1a, 1b, 2a, 2b, 3a, 3b according to hydrochemical facies. Graphical plots of multiple ionic ratios, saturation indices, and ion exchange indices were employed to examine hydrochemical processes that result in different hydrochemical facies of each cluster. Results show the predominance of carbonate and silicate weathering in cluster 1, silicate weathering in cluster 2, and carbonate weathering in cluster 3. Ionic exchange is a ubiquitous process among all clusters. The distribution of clusters is related to the regional geology, which may result in different hydrochemical processes. Two stratigraphic sections identify the differences in hydrochemical processes resulting from complex stratum structures and varied aquifer media. Cluster 2a shows an interesting difference in water chemistry along the groundwater flow path. Further study by oxygen and hydrogen isotope indicated that mixing between Quaternary and the Permian aquifers resulting from faulting is the main reason for the distinctive characteristic of cluster 2a.

  9. Geology

    Data.gov (United States)

    Kansas Data Access and Support Center — This database is an Arc/Info implementation of the 1:500,000 scale Geology Map of Kansas, M­23, 1991. This work wasperformed by the Automated Cartography section of...

  10. Medicinal chemistry inspired fragment-based drug discovery.

    Science.gov (United States)

    Lanter, James; Zhang, Xuqing; Sui, Zhihua

    2011-01-01

    Lead generation can be a very challenging phase of the drug discovery process. The two principal methods for this stage of research are blind screening and rational design. Among the rational or semirational design approaches, fragment-based drug discovery (FBDD) has emerged as a useful tool for the generation of lead structures. It is particularly powerful as a complement to high-throughput screening approaches when the latter failed to yield viable hits for further development. Engagement of medicinal chemists early in the process can accelerate the progression of FBDD efforts by incorporating drug-friendly properties in the earliest stages of the design process. Medium-chain acyl-CoA synthetase 2b and ketohexokinase are chosen as examples to illustrate the importance of close collaboration of medicinal chemists, crystallography, and modeling. Copyright © 2011 Elsevier Inc. All rights reserved.

  11. Fragment-to-Lead Medicinal Chemistry Publications in 2016.

    Science.gov (United States)

    Johnson, Christopher N; Erlanson, Daniel A; Jahnke, Wolfgang; Mortenson, Paul N; Rees, David C

    2018-03-08

    The popularity of fragment-based drug discovery (FBDD) is demonstrated by the number of recent successful fragment-to-lead (F2L) publications. This Miniperspective provides a tabulated summary of the F2L literature published in the year 2016, along with discussion of general trends. It uses the same format as our summary of the 2015 literature and is intended to be a resource for both FBDD practitioners and medicinal chemists in general.

  12. David J. Triggle: Medicinal chemistry, to pharmacology, calcium channels, and beyond.

    Science.gov (United States)

    Walker, Michael J A

    2015-11-15

    David Triggle's scientific career began as a chemist, went through medicinal chemistry into pharmacology, and finally on to somewhat more philosophical interests in later years. It was a career marked by many contributions to all of those aspects of science. Chief amongst his many contributions, in addition to those in medicinal chemistry, was his work on the drugs known as calcium ion channel blockers or (calcium antagonists). In the calcium ion channel field he was a particularly instrumental figure in sorting out the mechanisms, actions and roles of the class of calcium channel blockers, known chemical and pharmacologically as the dihydropyridines (DHPs) in particular, as well as other calcium blockers of diverse structures. During the course of a long career, and extensive journeys into medicinal chemistry and pharmacology, he published voluminously in terms of papers, reviews, conference proceedings and books. Notably, many of his papers often had limited authorship where, as senior author it reflected his deep involvement in all aspects of the reported work. His work always helped clarify the field while his incisive reviews, together with his role in coordinating and running scientific meetings, were a great help in clarifying and organizing various fields of study. He has had a long and illustrious career, and is wellknown in the world of biomedical science; his contributions are appreciated, and well recognized everywhere. The following article attempts to chart a path through his work and contributions to medicinal chemistry, pharmacology, science, academia and students. Copyright © 2015 Elsevier Inc. All rights reserved.

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

    Science.gov (United States)

    Alsharif, Naser Z.; And Others

    1997-01-01

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

  14. An active-learning assignment requiring pharmacy students to write medicinal chemistry examination questions.

    Science.gov (United States)

    Kolluru, Srikanth

    2012-08-10

    To implement and assess the effectiveness of an assignment requiring doctor of pharmacy (PharmD) students to write examination questions for the medicinal chemistry sections of a pharmacotherapeutics course. Students were divided into groups of 5-6 and given detailed instructions and grading rubrics for writing multiple-choice examination questions on medicinal chemistry topics. The compiled student-written questions for each examination were provided to the entire class as a study aid. Approximately 5% of the student-written questions were used in course examinations. Student appreciation of and performance in the medicinal chemistry portion of the course was significantly better than that of the previous year's class. Also, students' responses on a qualitative survey instrument indicated that the assignment provided students' guidance on which concepts to focus on, helped them retain knowledge better, and fostered personal exploration of the content, which led to better performance on examinations. Adding an active-learning assignment in which students write examination questions for the medicinal chemistry portion of a pharmacotherapeutics course was an effective means of increasing students engagement in the class and knowledge of the course material.

  15. A golden future in medicinal inorganic chemistry : The promise of anticancer gold organometallic compounds

    NARCIS (Netherlands)

    Bertrand, B.; Casini, A.

    2014-01-01

    From wedding rings on fingers to stained glass windows, by way of Olympic medals, gold has been highly prized for millennia. Nowadays, organometallic gold compounds occupy an important place in the field of medicinal inorganic chemistry due to their unique chemical properties with respect to gold

  16. An Integrated Visualization and Basic Molecular Modeling Laboratory for First-Year Undergraduate Medicinal Chemistry

    Science.gov (United States)

    Hayes, Joseph M.

    2014-01-01

    A 3D model visualization and basic molecular modeling laboratory suitable for first-year undergraduates studying introductory medicinal chemistry is presented. The 2 h practical is embedded within a series of lectures on drug design, target-drug interactions, enzymes, receptors, nucleic acids, and basic pharmacokinetics. Serving as a teaching aid…

  17. Progress in the medicinal chemistry of silicon: C/Si exchange and beyond.

    Science.gov (United States)

    Fujii, Shinya; Hashimoto, Yuichi

    2017-04-01

    Application of silyl functionalities is one of the most promising strategies among various 'elements chemistry' approaches for the development of novel and distinctive drug candidates. Replacement of one or more carbon atoms of various biologically active compounds with silicon (so-called sila-substitution) has been intensively studied for decades, and is often effective for alteration of activity profile and improvement of metabolic profile. In addition to simple C/Si exchange, several novel approaches for utilizing silicon in medicinal chemistry have been suggested in recent years, focusing on the intrinsic differences between silicon and carbon. Sila-substitution offers great potential for enlarging the chemical space of medicinal chemistry, and provides many options for structural development of drug candidates.

  18. The European Register of Specialists in Clinical Chemistry and Laboratory Medicine: guide to the Register, version 3-2010.

    LENUS (Irish Health Repository)

    McMurray, Janet

    2010-07-01

    In 1997, the European Communities Confederation of Clinical Chemistry and Laboratory Medicine (EC4) set up a Register for European Specialists in Clinical Chemistry and Laboratory Medicine. The operation of the Register is undertaken by a Register Commission (EC4RC). During the last 12 years, more than 2200 specialists in Clinical Chemistry and Laboratory Medicine have joined the Register. In 2007, EC4 merged with the Forum of European Societies of Clinical Chemistry and Laboratory Medicine (FESCC) to form the European Federation of Clinical Chemistry and Laboratory Medicine (EFCC). Two previous Guides to the Register have been published, one in 1997 and another in 2003. The third version of the Guide is presented in this article and is based on the experience gained and development of the profession since the last revision. Registration is valid for 5 years and the procedure and criteria for re-registration are presented as an Appendix at the end of the article.

  19. The European Register of Specialists in Clinical Chemistry and Laboratory Medicine: Code of Conduct, Version 2--2008.

    LENUS (Irish Health Repository)

    McMurray, Janet

    2009-01-01

    In 1997, the European Communities Confederation of Clinical Chemistry and Laboratory Medicine (EC4) set up a Register for European Specialists in Clinical Chemistry and Laboratory Medicine. The operation of the Register is undertaken by a Register Commission (EC4RC). During the last 10 years, more than 2000 specialists in Clinical Chemistry and Laboratory Medicine have joined the Register. In 2007, EC4 merged with the Federation of European Societies of Clinical Chemistry and Laboratory Medicine (FESCC) to form the European Federation of Clinical Chemistry and Laboratory Medicine (EFCC). A Code of Conduct was adopted in 2003 and a revised and updated version, taking account particularly of the guidelines of the Conseil Européen des Professions Libérales (CEPLIS) of which EFCC is a member, is presented in this article. The revised version was approved by the EC4 Register Commission and by the EFCC Executive Board in Paris on 6 November, 2008.

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

    Science.gov (United States)

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

    2017-09-29

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

  1. Medicinal chemistry in drug discovery in big pharma: past, present and future.

    Science.gov (United States)

    Campbell, Ian B; Macdonald, Simon J F; Procopiou, Panayiotis A

    2018-02-01

    The changes in synthetic and medicinal chemistry and related drug discovery science as practiced in big pharma over the past few decades are described. These have been predominantly driven by wider changes in society namely the computer, internet and globalisation. Thoughts about the future of medicinal chemistry are also discussed including sharing the risks and costs of drug discovery and the future of outsourcing. The continuing impact of access to substantial computing power and big data, the use of algorithms in data analysis and drug design are also presented. The next generation of medicinal chemists will communicate in ways that reflect social media and the results of constantly being connected to each other and data. Copyright © 2017. Published by Elsevier Ltd.

  2. Designing multiple ligands - medicinal chemistry strategies and challenges.

    Science.gov (United States)

    Morphy, Richard; Rankovic, Zoran

    2009-01-01

    It has been widely recognised over the recent years that parallel modulation of multiple biological targets can be beneficial for treatment of diseases with complex etiologies such as cancer asthma, and psychiatric disease. In this article, current strategies for the generation of ligands with a specific multi-target profile (designed multiple ligands or DMLs) are described and a number of illustrative example are given. Designing multiple ligands is frequently a challenging endeavour for medicinal chemists, with the need to appropriately balance affinity for 2 or more targets whilst obtaining physicochemical and pharmacokinetic properties that are consistent with the administration of an oral drug. Given that the properties of DMLs are influenced to a large extent by the proteomic superfamily to which the targets belong and the lead generation strategy that is pursued, an early assessment of the feasibility of any given DML project is essential.

  3. Medicinal uses, chemistry and pharmacology of Dillenia species (Dilleniaceae).

    Science.gov (United States)

    Sabandar, Carla W; Jalil, Juriyati; Ahmat, Norizan; Aladdin, Nor-Ashila

    2017-02-01

    The genus Dillenia is comprised of about 100 species of evergreen and deciduous trees or shrubs of disjunct distribution in the seasonal tropics of Madagascar through South and South East Asia, Malaysia, North Australia, and Fiji. Species from this genus have been widely used in medicinal folklore to treat cancers, wounds, jaundice, fever, cough, diabetes mellitus, and diarrhea as well as hair tonics. The plants of the genus also produce edible fruits and are cultivated as ornamental plants. Flavonoids, triterpenoids, and miscellaneous compounds have been identified in the genus. Their extracts and pure compounds have been reported for their antimicrobial, anti-inflammatory, cytotoxic, antidiabetes, antioxidant, antidiarrheal, and antiprotozoal activities. Mucilage from their fruits is used in drug formulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Sustainable Practices in Medicinal Chemistry Part 2: Green by Design.

    Science.gov (United States)

    Aliagas, Ignacio; Berger, Raphaëlle; Goldberg, Kristin; Nishimura, Rachel T; Reilly, John; Richardson, Paul; Richter, Daniel; Sherer, Edward C; Sparling, Brian A; Bryan, Marian C

    2017-07-27

    With the development of ever-expanding synthetic methodologies, a medicinal chemist's toolkit continues to swell. However, with finite time and resources as well as a growing understanding of our field's environment impact, it is critical to refine what can be made to what should be made. This review seeks to highlight multiple cheminformatic approaches in drug discovery that can influence and triage design and execution impacting the likelihood of rapidly generating high-value molecules in a more sustainable manner. This strategy gives chemists the tools to design and refine vast libraries, stress "druglikeness", and rapidly identify SAR trends. Project success, i.e., identification of a clinical candidate, is then reached faster with fewer molecules with the farther-reaching ramification of using fewer resources and generating less waste, thereby helping "green" our field.

  5. Transforming fragments into candidates: small becomes big in medicinal chemistry.

    Science.gov (United States)

    de Kloe, Gerdien E; Bailey, David; Leurs, Rob; de Esch, Iwan J P

    2009-07-01

    Fragment-based drug discovery (FBDD) represents a logical and efficient approach to lead discovery and optimisation. It can draw on structural, biophysical and biochemical data, incorporating a wide range of inputs, from precise mode-of-binding information on specific fragments to wider ranging pharmacophoric screening surveys using traditional HTS approaches. It is truly an enabling technology for the imaginative medicinal chemist. In this review, we analyse a representative set of 23 published FBDD studies that describe how low molecular weight fragments are being identified and efficiently transformed into higher molecular weight drug candidates. FBDD is now becoming warmly endorsed by industry as well as academia and the focus on small interacting molecules is making a big scientific impact.

  6. Student Scientific Conference, 2008. Collection of contributions. Vol. 2 - Sections of geography, geology, environment, chemistry and didactics; Studentska vedecka konferencia, 2008

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2008-04-15

    The conference included the following sections: (i) Biology (114 contributions); (ii) Geography (37 contributions); (iii) Geology (24 contributions); (iv) Environment (16 contributions); (v) Chemistry (11 contributions); (vi) Didactics (8 contributions). Contributions relevant to INIS interest have been inputted to INIS.

  7. Biomaterials — where biology, physics, chemistry, engineering and medicine meet

    Science.gov (United States)

    Hing, K. A.

    2008-03-01

    The success or failure of an implant material in the body depends on a complex interaction between a synthetic 'foreign body' and the 'host tissue'. These interactions occur at many levels from the sub-microscopic level, where subtle changes in the surface physio-chemistry can substantially alter the nature of the biomaterial-host tissue interface, through the microscopical level (e.g. sensitivity to surface topography) to the macrostructural level (e.g. dependence on scaffold porosity). Thus the factors that control these responses are not only biologically determined but also mechanically, physically and chemically mediated, although identifying where one starts and the other finishes can be difficult. Design of a successful medical device has therefore to call on expertise within a wide range of disciplines. In terms of both investigating the basic science behind the factors which orchestrate a biological response and developing research tools that enable study of these responses. However, a medical device must also meet the economic and practical demands of health care professionals who will ultimately be using it in the clinic. Bone graft substitute materials are used in orthopaedics as an alternative or adjunct to autografting, a practice where the patient 'donates' bone from a healthy site to aid bone repair at a damaged or diseased site. These materials are used in a wide range of procedures from total hip revision to spinal fusion and their evolution over the last 10 years illustrates how an interdisciplinary approach has benefited their development and may lead to further innovation in the future.

  8. The medicinal chemistry of botulinum, ricin and anthrax toxins.

    Science.gov (United States)

    Hicks, Rickey P; Hartell, Mark G; Nichols, Daniel A; Bhattacharjee, Apurba K; van Hamont, John E; Skillman, Donald R

    2005-01-01

    The potential use of weapons of mass destruction (nuclear, biological or chemical) by terrorist organizations represents a major threat to world peace and safety. Only a limited number of vaccines are available to protect the general population from the medical consequences of these weapons. In addition there are major health concerns associated with a pre-exposure mass vaccination of the general population. To reduce or eliminate the impact of these terrible threats, new drugs must be developed to safely treat individuals exposed to these agents. A review of all therapeutic agents under development for the treatment of the illnesses and injuries that result from exposure to nuclear, biological or chemical warfare agents is beyond the scope of any single article. The intent here is to provide a focused review for medicinal and organic chemists of three widely discussed and easily deployed biological warfare agents, botulinum neurotoxin and ricin toxins and the bacteria Bacillus anthracis. Anthrax will be addressed because of its similarity in both structure and mechanism of catalytic activity with botulinum toxin. The common feature of these three agents is that they exhibit their biological activity via toxin enzymatic hydrolysis of a specific bond in their respective substrate molecules. A brief introduction to the history of each of the biological warfare agents is presented followed by a discussion on the mechanisms of action of each at the molecular level, and a review of current potential inhibitors under investigation.

  9. Medicinal chemistry and pharmacology of genus Tripterygium (Celastraceae).

    Science.gov (United States)

    Brinker, Anita M; Ma, Jun; Lipsky, Peter E; Raskin, Ilya

    2007-03-01

    Plants in the genus Tripterygium, such as Tripterygium wilfordii Hook.f., have a long history of use in traditional Chinese medicine. In recent years there has been considerable interest in the use of Tripterygium extracts and of the main bioactive constituent, the diterpene triepoxide triptolide (1), to treat a variety of autoimmune and inflammation-related conditions. The main mode of action of the Tripterygium extracts and triptolide (1) is the inhibition of expression of proinflammatory genes such as those for interleukin-2 (IL-2), inducible nitric oxide synthase (iNOS), tumor necrosis factor-alpha (TNF-alpha), cyclooxygenase-2 (COX-2) and interferon-gamma (IFN-gamma). The efficacy and safety of certain types of Tripterygium extracts were confirmed in human clinical trials in the US and abroad. Over 300 compounds have been identified in the genus Tripterygium, and many of these have been evaluated for biological activity. The overall activity of the extract is based on the interaction between its components. Therefore, the safety and efficacy of the extract cannot be fully mimicked by any individual constituent. This review discusses the biochemical composition and biological and pharmacological activities of Tripterygium extracts, and their main bioactive components.

  10. Recent developments and applications of clickable photoprobes in medicinal chemistry and chemical biology.

    Science.gov (United States)

    Lapinsky, David J; Johnson, Douglas S

    2015-01-01

    Photoaffinity labeling is a well-known biochemical technique that has grown significantly since the turn of the century, principally due to its combination with bioorthogonal/click chemistry reactions. This review highlights new developments and applications of clickable photoprobes in medicinal chemistry and chemical biology. In particular, recent examples of clickable photoprobes for target identification, activity- or affinity-based protein profiling (ABPP or AfBPP), characterization of sterol- or lipid-protein interactions and characterization of ligand-binding sites are presented.

  11. Medicinal chemistry of antischistosomal drugs: Praziquantel and oxamniquine.

    Science.gov (United States)

    da Silva, Vinícius Barros Ribeiro; Campos, Bruna Rafaella Koresch Leiva; de Oliveira, Jamerson Ferreira; Decout, Jean-Luc; do Carmo Alves de Lima, Maria

    2017-07-01

    Neglected tropical diseases (NTDs) are a group of diseases that, besides prevailing in poverty conditions, contribute to the maintenance of social inequality, being a strong barrier to a country development. Schistosomiasis, a NTD, is a tropical and subtropical disease caused by the trematode Schistosoma mansoni (Africa, Middle East, Caribbean, Brazil, Venezuela, Suriname), japonicum (China, Indonesia, the Philippines), mekongi (several districts of Cambodia and the Lao People's Democratic Republic), intercalatum and guianensis (areas of tropical rainforests in Central Africa) and hematobium (Middle East Africa, Corsica, France) whose adult forms inhabit the mesenteric vessels of the host, while the intermediate forms are found in the aquatic gastropod snails of the genus Biomphalaria. Currently, praziquantel (PZQ) is the first line drug chosen for the treatment of schistosomiasis according to the World Health Organization (WHO) Model List of Essential Medicines, 2015. PZQ chemotherapy is considered to be the most important development for decades in the treatment of schistosomiasis. Beside the PZQ, oxamniquine (OXA) has been first described in 1969 and launched in Brazil by Pfizer under the name of Mansil® for oral administration. It has a lower cost when compared to PZQ, being active in the intestinal and hepatosplenic infections caused exclusively by S. mansoni, single species in Brazil. Both PZQ and OXA have limitations, as low efficacy in the treatment of acute schistosomiasis, low activity against S. mansoni in immature stages and resistance or tolerance, which is the reason why further research are still necessary for the development of a second generation of antischistosomal drugs. For the development of new PZQ analogs, three main strategies can be adopted: (a) synthesis and evaluation of PZQ analogues; (b) rational design of new pharmacophores; (c) discovery of new active compounds from screening programs on a large scale. Such (b) approach is difficult

  12. The Gravity of Regenerative Medicine; Physics, Chemistry & Biology behind it

    Directory of Open Access Journals (Sweden)

    Dedeepiya V

    2008-01-01

    different capabilities. This may herald the birth of a new scientific discipline called Astro-regenerative medicine and NCRM at that point would establish NGRM (Nichi-In Galaxy of Regenerative Medicine.

  13. N-acylsulfonamides: Synthetic routes and biological potential in medicinal chemistry.

    Science.gov (United States)

    Ammazzalorso, Alessandra; De Filippis, Barbara; Giampietro, Letizia; Amoroso, Rosa

    2017-12-01

    Sulfonamide is a common structural motif in naturally occurring and synthetic medicinal compounds. The rising interest in sulfonamides and N-acyl derivatives is attested by the large number of drugs and lead compounds identified in last years, explored in different fields of medicinal chemistry and showing biological activity. Many acylsulfonamide derivatives were designed and synthesized as isosteres of carboxylic acids, being the characteristics of these functional groups very close. Starting from chemical routes to N-acylsulfonamides, this review explores compounds of pharmaceutical interest, developed as enzymatic inhibitors or targeting receptors. © 2017 John Wiley & Sons A/S.

  14. Tropical biodiversity: has it been a potential source of secondary metabolites useful for medicinal chemistry?

    Directory of Open Access Journals (Sweden)

    Marilia Valli

    2012-01-01

    Full Text Available The use of natural products has definitely been the most successful strategy in the discovery of novel medicines. Secondary metabolites from terrestrial and marine organisms have found considerable use in the treatment of numerous diseases and have been considered lead molecules both in their natural form and as templates for medicinal chemistry. This paper seeks to show the great value of secondary metabolites and emphasize the rich chemical diversity of Brazilian biodiversity. This natural chemical library remains understudied, but can be a useful source of new secondary metabolites with potential application as templates for drug discovery.

  15. Tropical biodiversity: has it been a potential source of secondary metabolites useful for medicinal chemistry?

    Energy Technology Data Exchange (ETDEWEB)

    Valli, Marilia; Pivatto, Marcos; Danuello, Amanda; Castro-Gamboa, Ian; Silva, Dulce Helena Siqueira; Cavalheiro, Alberto Jose; Araujo, Angela Regina; Furlan, Maysa; Lopes, Marcia Nasser; Bolzani, Vanderlan da Silva, E-mail: bolzaniv@iq.unesp.br [UNESP, Araraquara, SP (Brazil). Inst. de Quimica. Dept. de Quimica Organica

    2012-07-01

    The use of natural products has definitely been the most successful strategy in the discovery of novel medicines. Secondary metabolites from terrestrial and marine organisms have found considerable use in the treatment of numerous diseases and have been considered lead molecules both in their natural form and as templates for medicinal chemistry. This paper seeks to show the great value of secondary metabolites and emphasize the rich chemical diversity of Brazilian biodiversity. This natural chemical library remains understudied, but can be a useful source of new secondary metabolites with potential application as templates for drug discovery. (author)

  16. Tropical biodiversity: has it been a potential source of secondary metabolites useful for medicinal chemistry?

    International Nuclear Information System (INIS)

    Valli, Marilia; Pivatto, Marcos; Danuello, Amanda; Castro-Gamboa, Ian; Silva, Dulce Helena Siqueira; Cavalheiro, Alberto Jose; Araujo, Angela Regina; Furlan, Maysa; Lopes, Marcia Nasser; Bolzani, Vanderlan da Silva

    2012-01-01

    The use of natural products has definitely been the most successful strategy in the discovery of novel medicines. Secondary metabolites from terrestrial and marine organisms have found considerable use in the treatment of numerous diseases and have been considered lead molecules both in their natural form and as templates for medicinal chemistry. This paper seeks to show the great value of secondary metabolites and emphasize the rich chemical diversity of Brazilian biodiversity. This natural chemical library remains understudied, but can be a useful source of new secondary metabolites with potential application as templates for drug discovery. (author)

  17. An Unprecedented Revolution in Medicinal Chemistry Driven by the Progress of Biological Science.

    Science.gov (United States)

    Chou, Kuo-Chen

    2017-01-01

    The eternal or ultimate goal of medicinal chemistry is to find most effective ways to treat various diseases and extend human beings' life as long as possible. Human being is a biological entity. To realize such an ultimate goal, the inputs or breakthroughs from the advances in biological science are no doubt most important that may even drive medicinal science into a revolution. In this review article, we are to address this from several different angles. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  18. Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits.

    Science.gov (United States)

    Sebastián-Pérez, Víctor; Roca, Carlos; Awale, Mahendra; Reymond, Jean-Louis; Martinez, Ana; Gil, Carmen; Campillo, Nuria E

    2017-09-25

    Identification of new hits is one of the biggest challenges in drug discovery. Creating a library of well-characterized drug-like compounds is a key step in this process. Our group has developed an in-house chemical library called the Medicinal and Biological Chemistry (MBC) library. This collection has been successfully used to start several medicinal chemistry programs and developed in an accumulation of more than 30 years of experience in drug design and discovery of new drugs for unmet diseases. It contains over 1000 compounds, mainly heterocyclic scaffolds. In this work, analysis of drug-like properties and comparative study with well-known libraries by using different computer software are presented here.

  19. Selective Access to Heterocyclic Sulfonamides and Sulfonyl Fluorides via a Parallel Medicinal Chemistry Enabled Method.

    Science.gov (United States)

    Tucker, Joseph W; Chenard, Lois; Young, Joseph M

    2015-11-09

    A sulfur-functionalized aminoacrolein derivative is used for the efficient and selective synthesis of heterocyclic sulfonyl chlorides, sulfonyl fluorides, and sulfonamides. The development of a 3-step parallel medicinal chemistry (PMC) protocol for the synthesis of pyrazole-4-sulfonamides effectively demonstrates the utility of this reagent. This reactivity was expanded to provide rapid access to other heterocyclic sulfonyl fluorides, including pyrimidines and pyridines, whose corresponding sulfonyl chlorides lack suitable chemical stability.

  20. 50th anniversary of Clinical Chemistry and Laboratory Medicine--a historical overview.

    Science.gov (United States)

    Körber, Friedrich; Plebani, Mario

    2013-01-01

    In the early 1960s, Joachim Brugsch, one of the founders of Clinical Chemistry and Laboratory Medicine (CCLM) (then Zeitschrift für Klinische Chemie), had the idea to found a journal in the upcoming field of clinical chemistry. He approached Ernst Schütte, who was associated with the De Gruyter publishing house through another journal, to participate, and Schütte thus became the second founder of this Journal. The aim was to create a vehicle allowing the experts to express their opinions and raise their voices more clearly than they could in a journal that publishes only original experimental papers, a laborious and difficult, but important endeavor, as the profession of clinical chemistry was still in the early stages of development at this time. The first issue of this Journal was published in early 1963, and today, we are proud to celebrate the 50th anniversary of CCLM. This review describes the development of this Journal in light of the political situation of the time when it was founded, the situation of the publisher Walter De Gruyter after the erection of the Berlin Wall, and the development of clinical chemistry, and later on, laboratory medicine as a well-acknowledged discipline and profession.

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

    Science.gov (United States)

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

    2014-03-01

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

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

    Science.gov (United States)

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

    2015-07-01

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

  3. 1980 Survey of Faculty Teaching in Departments of Medicinal/Pharmaceutical Chemistry at American Colleges of Pharmacy.

    Science.gov (United States)

    Matuszak, Alice Jean; Sarnoff, Darwin

    1981-01-01

    An American Association of Colleges of Pharmacy survey of medicinal/pharmaceutical chemistry faculty is reported. Data, including academic and experience backgrounds of faculty and their teaching load, are presented. Differences in training are noted in comparing the average chemistry professor to the average assistant professor. (Author/MLW)

  4. Recent advances in medicinal chemistry and pharmaceutical technology--strategies for drug delivery to the brain.

    Science.gov (United States)

    Denora, Nunzio; Trapani, Adriana; Laquintana, Valentino; Lopedota, Angela; Trapani, Giuseppe

    2009-01-01

    This paper provides a mini-review of some recent approaches for the treatment of brain pathologies examining both medicinal chemistry and pharmaceutical technology contributions. Medicinal chemistry-based strategies are essentially aimed at the chemical modification of low molecular weight drugs in order to increase their lipophilicity or the design of appropriate prodrugs, although this review will focus primarily on the use of prodrugs and not analog development. Recently, interest has been focused on the design and evaluation of prodrugs that are capable of exploiting one or more of the various endogenous transport systems at the level of the blood brain barrier (BBB). The technological strategies are essentially non-invasive methods of drug delivery to malignancies of the central nervous system (CNS) and are based on the use of nanosystems (colloidal carriers) such as liposomes, polymeric nanoparticles, solid lipid nanoparticles, polymeric micelles and dendrimers. The biodistribution of these nanocarriers can be manipulated by modifying their surface physico-chemical properties or by coating them with surfactants and polyethylene-glycols (PEGs). Liposomes, surfactant coated polymeric nanoparticles, and solid lipid nanoparticles are promising systems for delivery of drugs to tumors of the CNS. This mini-review discusses issues concerning the scope and limitations of both the medicinal chemistry and technological approaches. Based on the current findings, it can be concluded that crossing of the BBB and drug delivery to CNS is extremely complex and requires a multidisciplinary approach such as a close collaboration and common efforts among researchers of several scientific areas, particularly medicinal chemists, biologists and pharmaceutical technologists.

  5. 2015 Philip S. Portoghese Medicinal Chemistry Lectureship. Curing Hepatitis C Virus Infection with Direct-Acting Antiviral Agents: The Arc of a Medicinal Chemistry Triumph.

    Science.gov (United States)

    Meanwell, Nicholas A

    2016-08-25

    The development of direct-acting antiviral agents that can cure a chronic hepatitis C virus (HCV) infection after 8-12 weeks of daily, well-tolerated therapy has revolutionized the treatment of this insidious disease. In this article, three of Bristol-Myers Squibb's HCV programs are summarized, each of which produced a clinical candidate: the NS3 protease inhibitor asunaprevir (64), marketed as Sunvepra, the NS5A replication complex inhibitor daclatasvir (117), marketed as Daklinza, and the allosteric NS5B polymerase inhibitor beclabuvir (142), which is in late stage clinical studies. A clinical study with 64 and 117 established for the first time that a chronic HCV infection could be cured by treatment with direct-acting antiviral agents alone in the absence of interferon. The development of small molecule HCV therapeutics, designed by medicinal chemists, has been hailed as "the arc of a medical triumph" but may equally well be described as "the arc of a medicinal chemistry triumph".

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

    Science.gov (United States)

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

    2015-01-07

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

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

    Science.gov (United States)

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

    2016-12-30

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

  8. Addressing the medicinal chemistry bottleneck: a lean approach to centralized purification.

    Science.gov (United States)

    Weller, Harold N; Nirschl, David S; Paulson, James L; Hoffman, Steven L; Bullock, William H

    2012-09-10

    The use of standardized lean manufacturing principles to improve drug discovery productivity is often thought to be at odds with fostering innovation. This manuscript describes how selective implementation of a lean optimized process, in this case centralized purification for medicinal chemistry, can improve operational productivity and increase scientist time available for innovation. A description of the centralized purification process is provided along with both operational and impact (productivity) metrics, which indicate lower cost, higher output, and presumably more free time for innovation as a result of the process changes described.

  9. From bosentan (Tracleer®) to macitentan (Opsumit®): The medicinal chemistry perspective.

    Science.gov (United States)

    Boss, Christoph; Bolli, Martin H; Gatfield, John

    2016-08-01

    The endothelin peptides bind to two receptors found on cells of vasculature and in tissues. While the endothelin-A (ETA)-receptor is predominantly expressed in vascular smooth muscle cells, the endothelin-B (ETB)-receptor is also found in endothelial cells, fibroblasts, and neuronal cells. Activation of the endothelin system plays a driving role in several chronic cardiovascular diseases and several endothelin receptor antagonists (ERAs) (bosentan (6), ambrisentan (83) and macitentan (43)) have successfully been introduced as oral treatments for the life threatening condition of pulmonary arterial hypertension (PAH). This digest highlights the medicinal chemistry of the pyrimidine based ERAs 6 and 43 and describes the story that started with bosentan and culminated in macitentan (43). A condensed overview of the competitive landscape in the field of ERAs puts the different strategies and tactics applied by the medicinal chemists involved in this endeavor into perspective. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Geology's Impact on Culture

    Science.gov (United States)

    Pizzorusso, Ann

    2017-04-01

    Most people consider geology boring, static and difficult. The fields of astronomy and physics have "rebranded" themselves with exciting programs formatted so as to be readily understandable to the general public. The same thing can be done for geology. My research on geology's influence on other disciplines has resulted in a book, Tweeting da Vinci, in which I was able to show how geology affected Italy's art, architecture, medicine, religion, literature, engineering and just about everything else. The reaction to the book and my lectures by both students and the general public has been very positive, including four gold medals, with reviews and comments indicating that they never knew geology could be so exciting. The book is very user friendly, packed with facts, full-color photos, paintings, sketches and illustrations. Complex aspects of geology are presented in an easily understandable style. Widely diverse topics—such as gemology, folk remedies, grottoes, painting, literature, physics and religion—are stitched together using geology as a thread. Quoting everyone from Pliny the Elder to NASA physicist Friedemann Freund, the work is solidly backed scholarship that reads as easily as a summer novel. The book can be used in classes such as physics, chemistry, literature, art history, medicine, Classical Studies, Latin, Greek and Italian. By incorporating a "geologic perspective" in these courses, it can be perceived as a more "all encompassing" discipline and encourage more students to study it. The lectures I have given on college campuses have resulted in students seeing their own majors from a different perspective and some have even signed up for introductory geology courses. One college organized summer course to the Bay of Naples based on the book. We followed the geology as well as the culture of the area and the students were profoundly moved. To encourage dialog, the book is linked to Facebook, Twitter and Instagram. This has enabled followers from

  11. "Having the right chemistry": a qualitative study of mentoring in academic medicine.

    Science.gov (United States)

    Jackson, Vicki A; Palepu, Anita; Szalacha, Laura; Caswell, Cheryl; Carr, Phyllis L; Inui, Thomas

    2003-03-01

    To develop a deeper understanding of mentoring by exploring lived experiences of academic medicine faculty members. Mentoring relationships are key to developing productive careers in academic medicine, but such alliances hold a certain "mystery." Using qualitative techniques, between November 1999 and March 2000, the authors conducted individual telephone interviews of 16 faculty members about their experiences with mentoring. Interviews were taped and transcribed and authors identified major themes through multiple readings. A consensus taxonomy for classifying content evolved from comparisons of coding by four reviewers. Themes expressed by participants were studied for patterns of connection and grouped into broader categories. Almost 98% of participants identified lack of mentoring as the first (42%) or second (56%) most important factor hindering career progress in academic medicine. Finding a suitable mentor requires effort and persistence. Effective mentoring necessitates a certain chemistry for an appropriate interpersonal match. Prized mentors have "clout," knowledge, and interest in the mentees, and provide both professional and personal support. In cross-gender mentoring, maintaining clear boundaries is essential for an effective relationship. Same-gender or same-race matches between mentor and mentee were not felt to be essential. Having a mentor is critical to having a successful career in academic medicine. Mentees need to be diligent in seeking out these relationships and institutions need to encourage and value the work of mentors. Participants without formalized mentoring relationships should look to peers and colleagues for assistance in navigating the academic system.

  12. Geologic field-trip guide to Medicine Lake Volcano, northern California, including Lava Beds National Monument

    Science.gov (United States)

    Donnelly-Nolan, Julie M.; Grove, Timothy L.

    2017-08-17

    Medicine Lake volcano is among the very best places in the United States to see and walk on a variety of well-exposed young lava flows that range in composition from basalt to rhyolite. This field-trip guide to the volcano and to Lava Beds National Monument, which occupies part of the north flank, directs visitors to a wide range of lava flow compositions and volcanic phenomena, many of them well exposed and Holocene in age. The writing of the guide was prompted by a field trip to the California Cascades Arc organized in conjunction with the International Association of Volcanology and Chemistry of the Earth’s Interior (IAVCEI) quadrennial meeting in Portland, Oregon, in August of 2017. This report is one of a group of three guides describing the three major volcanic centers of the southern Cascades Volcanic Arc. The guides describing the Mount Shasta and Lassen Volcanic Center parts of the trip share an introduction, written as an overview to the IAVCEI field trip. However, this guide to Medicine Lake volcano has descriptions of many more stops than are included in the 2017 field trip. The 23 stops described here feature a range of compositions and volcanic phenomena. Many other stops are possible and some have been previously described, but these 23 have been selected to highlight the variety of volcanic phenomena at this rear-arc center, the range of compositions, and for the practical reason that they are readily accessible. Open ground cracks, various vent features, tuffs, lava-tube caves, evidence for glaciation, and lava flows that contain inclusions and show visible evidence of compositional zonation are described and visited along the route.

  13. A pharmacy student's role as a teaching assistant in an undergraduate medicinal chemistry course - Implementation, evaluation, and unexpected opportunities for educational outreach.

    Science.gov (United States)

    DellaVecchia, Matthew J; Claudio, Alyssa M; Fairclough, Jamie L

    2017-11-01

    To describe 1) a pharmacy student's teaching assistant (TA) role in an undergraduate medicinal chemistry course, 2) an active learning module co-developed by the TA and instructor, and 3) the unexpected opportunities for pharmacy educational outreach that resulted from this collaboration. Medicinal Chemistry (CHM3413) is an undergraduate course offered each fall at Palm Beach Atlantic University (PBA). As a TA for CHM3413, a pharmacy student from the Gregory School of Pharmacy (GSOP) at PBA co-developed and implemented an active learning module emphasizing foundational medicinal chemistry concepts as they pertain to performance enhancing drugs (PEDs). Surveys assessed undergraduate students' perceived knowledge of medicinal chemistry concepts, PEDs, and TA involvement. Students' (total n = 60, three fall semesters) perceived confidence in knowledge of medicinal chemistry concepts and PEDs increased significantly (p medicinal chemistry course. An advanced pharmacy practice experience elective in sports pharmacy (based on Ambrose's model) begins Fall 2017. Copyright © 2017 Elsevier Inc. All rights reserved.

  14. The Use of Stilbene Scaffold in Medicinal Chemistry and Multi- Target Drug Design.

    Science.gov (United States)

    Giacomini, Elisa; Rupiani, Sebastiano; Guidotti, Laura; Recanatini, Maurizio; Roberti, Marinella

    2016-01-01

    The stilbene scaffold is a basic element for a number of biologically active natural and synthetic compounds, and it is considered as a privileged structure. Stilbenes exemplified by resveratrol, combretastatin A-4 and pterostilbene are of significant interest for drug research and development because of their potential in therapeutic and preventive application. Resveratrol, present in grapes and other food products, plays a role in the prevention of several human pathological processes and has been suggested as an anticancer agent. Moreover, recent evidence has revealed its potential effect on the aging process, diabetes and neurological dysfunction. Combretastatin A-4, from the bark of South African bush willow Combretum caffrum, also shows significant antitumor activity. Pterostilbene is closely related to resveratrol, sharing the same unique therapeutic potential as anti-inflammatory, antineoplastic and antioxidant agent. Therefore, research and development of stilbene-based medicinal chemistry have become rapidly evolving and increasingly active topics covering almost the whole range of therapeutic fields. In the present review, we provide an overview of the role of stilbenes in medicinal chemistry. In this context, we highlight the chemical methodologies adopted for the synthesis of stilbene derivatives, and outline the successful design of novel stilbene based hybrids in the field of cancer, Alzheimer's and other relevant diseases. This information may be useful in further design of stilbene-based molecules as new leads for the development of novel agents with clinical potential or as effective chemical probes to dissect biological processes.

  15. Recent Advances in the Medicinal Chemistry of the Metabotropic Glutamate Receptor 1 (mGlu1)

    Science.gov (United States)

    2011-01-01

    This Review summarizes the medicinal chemistry found in publications on both orthosteric and allosteric modulators of the metabotropic glutamate receptor 1 (mGlu1) from 2005 to the present. The time period covered by the scope of this current review has been particularly rich in mGlu1-related publications with numbers quadrupling when compared to the preceding five year period of 2000−2005. Publications in the field peaked in 2007 with over 35 articles appearing in the peer reviewed literature in the course of that year. Given that glutamate is one of the primary excitatory neurotransmitters in the mammalian central nervous system (CNS), it is unsurprising that it acts upon several receptors that are considered to be of potential therapeutic interest for many indications. Orthosteric and allosteric modulation of the receptor is possible, with a logical extrapolation to the chemotypes used for each strategy. The last five years of publications have yielded many mGlu1 selective antagonist chemotypyes, most of which have shown efficacy in pain in vivo models. However, the primary impact of these compounds has been to highlight the mechanistic safety risks of mGlu1 antagonism, independent of chemotype. As a review in medicinal chemistry, the primary focus of this paper will be on the design and, to a lesser degree, synthetic strategies for the delivery of subtype selective, CNS penetrant, druglike compounds through a “medchem” program, targeting modulators of the mGlu1 receptor. PMID:22860168

  16. Using computer-aided drug design and medicinal chemistry strategies in the fight against diabetes.

    Science.gov (United States)

    Semighini, Evandro P; Resende, Jonathan A; de Andrade, Peterson; Morais, Pedro A B; Carvalho, Ivone; Taft, Carlton A; Silva, Carlos H T P

    2011-04-01

    The aim of this work is to present a simple, practical and efficient protocol for drug design, in particular Diabetes, which includes selection of the illness, good choice of a target as well as a bioactive ligand and then usage of various computer aided drug design and medicinal chemistry tools to design novel potential drug candidates in different diseases. We have selected the validated target dipeptidyl peptidase IV (DPP-IV), whose inhibition contributes to reduce glucose levels in type 2 diabetes patients. The most active inhibitor with complex X-ray structure reported was initially extracted from the BindingDB database. By using molecular modification strategies widely used in medicinal chemistry, besides current state-of-the-art tools in drug design (including flexible docking, virtual screening, molecular interaction fields, molecular dynamics, ADME and toxicity predictions), we have proposed 4 novel potential DPP-IV inhibitors with drug properties for Diabetes control, which have been supported and validated by all the computational tools used herewith.

  17. A guide to defining the competence required of a consultant in clinical chemistry and laboratory medicine.

    Science.gov (United States)

    Beastall, Graham; Kenny, Desmond; Laitinen, Paivi; ten Kate, Joop

    2005-01-01

    A definition has been agreed for the most senior professional (consultant) in clinical chemistry and laboratory medicine. A model job description for a consultant has been determined, which is intended to act as a toolkit to assist employing authorities and professional bodies to define the role of individual consultant posts. A total of 86 competences for a consultant have been designated and expressed in the form of simple generic proficiency standards. These competences have been allocated to six broad areas: clinical [13]; scientific [15]; technical [12]; communication [12]; management and leadership [20]; professional autonomy and accountability [14]. The competences are intended to be illustrative rather than definitive and to enable the duties of any consultant post to be defined. Assessment of competence is likely to entail consideration of qualifications, registration status, continuing professional development and performance review. The project is intended as a guide to European societies of clinical chemistry and laboratory medicine. The guide should be capable of local interpretation to encourage a greater degree of commonality in the role of the consultant whilst protecting national identity. The guide should stimulate international understanding and collaboration and contribute to an overall improvement in the quality of practice.

  18. Students' Perception of Self-Efficacy Following Medicinal Chemistry Skills Laboratory Exercises.

    Science.gov (United States)

    Alsharif, Naser Z; Roche, Victoria F; Qi, Yongyue

    2016-06-25

    Objective. To analyze student perceptions of self-efficacy in meeting medicinal chemistry course related educational outcomes and skills following a medicinal chemistry skills laboratory. Methods. Four activities were implemented in a pharmacy skills laboratory (PSL) for second-year pharmacy students. Students (n=121) worked individually on exercises for three of the four activities. Pre/post-laboratory surveys on self-efficacy were administered. The McNemar test was performed to evaluate students' self-efficacy above 70% related to course outcomes before and after the exercises in each activity. An independent t test was conducted to compare the mean of students' responses on meeting course outcomes based on the 70% anchor for the perspective confidence on meeting course outcomes. Results. The post-PSL scores on all self-efficacy questions improved. The majority of students reported skill development in all exercises. Students and clinical faculty qualitative responses indicated they felt exercises were effective. Conclusion. A PSL can serve as a valuable opportunity to address course related educational outcomes and specific skill development and can help students assess their self-efficacy in meeting them.

  19. How many molecules does it take to tell a story? Case studies, language, and an epistemic view of medicinal chemistry.

    Science.gov (United States)

    Stahl, Martin; Baier, Sabine

    2015-06-01

    Medicinal chemistry has always been closer to the arts than other disciplines in the natural sciences. Instead of searching for natural laws, medicinal chemistry creates new molecular entities entailing desired pharmaceutical characteristics. While the productive output of medicinal chemistry is comprehensively documented, the epistemic paths of the creative process are less well described. Here we show how such paths could be visualized and how these visualizations relate to images developed in the history and philosophy of science. Based on the discussion of these visualizations, we argue that there is a need for a new language of creativity that can be employed during the very course of research, as opposed to its retrospective analysis. This language should be able to reflect both the status and directions in highly complex research processes that may have a clear goal, yet must remain open to unexpected moments of serendipity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Contextualizing Technology in the Classroom via Remote Access: Using Space Exploration Themes and Scanning Electron Microscopy as Tools to Promote Engagement in Geology/Chemistry Experiments

    Science.gov (United States)

    Rodriguez, Brandon; Jaramillo, Veronica; Wolf, Vanessa; Bautista, Esteban; Portillo, Jennifer; Brouke, Alexandra; Min, Ashley; Melendez, Andrea; Amann, Joseph; Pena-Francesch, Abdon; Ashcroft, Jared

    2018-01-01

    A multidisciplinary science experiment was performed in K-12 classrooms focusing on the interconnection between technology with geology and chemistry. The engagement and passion for science of over eight hundred students across twenty-one classrooms, utilizing a combination of hands-on activities using relationships between Earth and space rock…

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

    Science.gov (United States)

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

    2016-09-20

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

  2. [Commentary on the Nobel Prize that has been granted in Medicine-Physiology, Chemistry and Physics to noteable investigators].

    Science.gov (United States)

    Zárate, Arturo; Apolinar, Leticia Manuel; Saucedo, Renata; Basurto, Lourdes

    2015-01-01

    The Nobel Prize was established by Alfred Nobel in 1901 to award people who have made outstanding achievements in physics, chemistry and medicine. So far, from 852 laureates, 45 have been female. Marie Curie was the first woman to receive the Nobel Prize in 1903 for physics and eight years later also for chemistry It is remarkable that her daughter Irene and her husband also received the Nobel Prize for chemistry in 1935. Other two married couples, Cori and Moser, have also been awarded the Nobel Prize. The present commentary attempts to show the female participation in the progress of scientific activities.

  3. Medicinal chemistry insights in the discovery of novel LSD1 inhibitors.

    Science.gov (United States)

    Wang, Xueshun; Huang, Boshi; Suzuki, Takayoshi; Liu, Xinyong; Zhan, Peng

    2015-01-01

    LSD1 is an epigenetic modulator associated with transcriptional regulation of genes involved in a broad spectrum of key cellular processes, and its activity is often altered under pathological conditions. LSD1 inhibitors are considered to be candidates for therapy of cancer, viral diseases and neurodegeneration. Many LSD1 inhibitors with various scaffolds have been disclosed, and a few potent molecules are in different stages of clinical development. In this review, we summarize recent biological findings on the roles of LSD1 and the current understanding of the clinical significance of LSD1, and focus on the medicinal chemistry strategies used in the design and development of LSD1 inhibitors as drug-like epigenetic modulators since 2012, including a brief consideration of structure-activity relationships.

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

    Science.gov (United States)

    Bajorath, Jürgen

    2014-01-01

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

  5. Entering the 'big data' era in medicinal chemistry: molecular promiscuity analysis revisited.

    Science.gov (United States)

    Hu, Ye; Bajorath, Jürgen

    2017-06-01

    The 'big data' concept plays an increasingly important role in many scientific fields. Big data involves more than unprecedentedly large volumes of data that become available. Different criteria characterizing big data must be carefully considered in computational data mining, as we discuss herein focusing on medicinal chemistry. This is a scientific discipline where big data is beginning to emerge and provide new opportunities. For example, the ability of many drugs to specifically interact with multiple targets, termed promiscuity, forms the molecular basis of polypharmacology, a hot topic in drug discovery. Compound promiscuity analysis is an area that is much influenced by big data phenomena. Different results are obtained depending on chosen data selection and confidence criteria, as we also demonstrate.

  6. Entering the ‘big data’ era in medicinal chemistry: molecular promiscuity analysis revisited

    Science.gov (United States)

    Hu, Ye; Bajorath, Jürgen

    2017-01-01

    The ‘big data’ concept plays an increasingly important role in many scientific fields. Big data involves more than unprecedentedly large volumes of data that become available. Different criteria characterizing big data must be carefully considered in computational data mining, as we discuss herein focusing on medicinal chemistry. This is a scientific discipline where big data is beginning to emerge and provide new opportunities. For example, the ability of many drugs to specifically interact with multiple targets, termed promiscuity, forms the molecular basis of polypharmacology, a hot topic in drug discovery. Compound promiscuity analysis is an area that is much influenced by big data phenomena. Different results are obtained depending on chosen data selection and confidence criteria, as we also demonstrate. PMID:28670471

  7. 2-Aminothiophene scaffolds: Diverse biological and pharmacological attributes in medicinal chemistry.

    Science.gov (United States)

    Bozorov, Khurshed; Nie, Li Fei; Zhao, Jiangyu; Aisa, Haji A

    2017-11-10

    2-Aminothiophenes are important five-membered heterocyclic building blocks in organic synthesis, and the chemistry of these small molecules is still developing based on the discovery of cyclization by Gewald. Another attractive feature of 2-aminothiophene scaffolds is their ability to act as synthons for the synthesis of biological active thiophene-containing heterocycles, conjugates and hybrids. Currently, the biological actions of 2-aminothiophenes or their 2-N-substituted analogues are still being investigated because of their various mechanisms of action (e.g., pharmacophore and pharmacokinetic properties). Likewise, the 2-aminothiophene family is used as diverse promising selective inhibitors, receptors, and modulators in medicinal chemistry, and these compounds even exhibit effective pharmacological properties in the various clinical phases of appropriate diseases. In this review, major biological and pharmacological reports on 2-aminothiophenes and related compounds have been highlighted; most perspective drug-candidate hits were selected for discussion and described, along with additional synthetic pathways. In addition, we focused on the literature dedicated to 2-aminothiophenes and 2-N-substituted derivatives, which have been published from 2010 to 2017. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  8. Geology, mineralization, mineral chemistry, and ore-fluid conditions of Irankuh Pb-Zn mining district, south of Isfahan

    Directory of Open Access Journals (Sweden)

    Mohammad Hassan Karimpour

    2017-11-01

    Full Text Available Introduction The Irankuh mining district area located at the southern part of the Malayer-Isfahan metallogenic belt, south of Isfahan, consists of several Zn-Pb deposits and occurrences such as Tappehsorkh, Rowmarmar 5, Kolahdarvazeh, Blind ore, and Gushfil deposits as well as Rowmarmar 1-4 and Gushfil 1 prospects. Based on geology, alteration, form and texture of mineralization, and paragenesis assemblages, Pb-Zn mineralization is Mississippi-type deposit (Rastad, 1981; Ghazban et al., 1994; Ghasemi, 1995; Reichert, 2007; Timoori-Asl (2010; Ayati et al., 2013; Hosseini-Dinani et al., 2015. Geology of the area consists of Jurassic siltstone and shale and different types of Cretaceous dolostone and limestone. The aim of this research is new geological studies such as revision of old geologic map, study of different types of textures and mineral assemblages within carbonate and clastic host rocks, and chemistry of galena, sphalerite, and dolomite. Finally, we combined these results with isotopic and fluid inclusion data and discussed on ore-fluid conditions. Materials and Methods In order to achieve the aims of this work, at first field surveying and sampling were done. Then, 200 thin and 70 polished thin sections were prepared. Some of the samples were selected for microprobe analysis and galena and sphalerite minerals were analyzed by using JEOL- JAX-8230 analyzer at Colorado University, USA. The chemistry of dolomite and fluid inclusion data are used after Boveiri Konari and Rastad (2016 and stable isotope is used after Ghazban et al. (1994. Discussion The Irankuh mineralization is hosted by carbonate rocks (dolostone and limestone and minor clastic rocks as epigenetic. Mineralization has occurred as breccia, veinlet, open space filling, spoted, dessiminated, and replacement (carbonate hosted rock. The mineral assemblages are Fe-rich sphalerite, galena, minor pyrite, Fe- and Mn-rich dolomite, bituminous, ankrite, calcite ± quartz ± barite

  9. Laboratory hematology in the history of Clinical Chemistry and Laboratory Medicine.

    Science.gov (United States)

    Hoffmann, Johannes J M L

    2013-01-01

    For the occasion of the 50th anniversary of the journal Clinical Chemistry and Laboratory Medicine (CCLM), an historic overview of papers that the journal has published in the field of laboratory hematology (LH) is presented. All past volumes of CCLM were screened for papers on LH and these were categorized. Bibliographic data of these papers were also analyzed. CCLM published in total 387 LH papers. The absolute number of LH papers published annually showed a significant increase over the years since 1985. Also the share of LH papers demonstrated a steady increase (overall mean 5%, but mean 8% over the past 4 years). The most frequent category was coagulation and fibrinolysis (23.5%). Authors from Germany contributed the most LH papers to the journal (22.7%), followed by the Netherlands and Italy (16.3 and 13.2%, respectively). Recent citation data indicated that other publications cited LH review papers much more frequently than other types of papers. The history of the journal reflects the emergence and development of laboratory hematology as a separate discipline of laboratory medicine.

  10. [Medicinal chemistry and pharmacology focused on cannabidiol, a major component of the fiber-type cannabis].

    Science.gov (United States)

    Takeda, Shuso

    2013-01-01

    Considerable attention has focused on cannabidiol (CBD), a major non-psychotropic constituent of fiber-type cannabis plant, and it has been reported to possess diverse biological activities. Although CBD is obtained from non-enzymatic decarboxylation of its parent molecule, cannabidiolic acid (CBDA), several studies have investigated whether CBDA itself is biologically active. In the present report, the author summarizes findings indicating that; 1) CBDA is a selective cyclooxygenase-2 (COX-2) inhibitor, and ii) CBDA possesses an anti-migrative potential for highly invasive cancer cells, apparently through a mechanism involving inhibition of cAMP-dependent protein kinase A, coupled with an activation of the small GTPase, RhoA. Further, the author introduces recent findings on the medicinal chemistry and pharmacology of the CBD derivative, CBD-2',6'-dimethyl ether (CBDD), that exhibits inhibitory activity toward 15-lipoxygenase (15-LOX), an enzyme responsible for the production of oxidized low-density lipoprotein (LDL). These studies establish CBD as both an important experimental tool and as a lead compound for pharmaceutical development. In this review, the author further discusses the potential uses of CBD and its derivatives in future medicines.

  11. Medicinal Chemistry Insights into Novel HDAC Inhibitors: An Updated Patent Review (2012-2016).

    Science.gov (United States)

    Zhan, Peng; Wang, Xueshun; Liu, Xinyong; Suzuki, Takayoshi

    2017-01-01

    Many laboratories have made intensive efforts to develop potent, selective, and orally bioavailable HDAC inhibitors (HDACIs). Novel HDACIs are being developed with the objective of improving potency and selectivity against specific types of cancers or non-cancer diseases. This updated patent review is an attempt to compile the work of various researchers of HDACIs from 2012 to mid 2016, and to enlighten and surprise both newcomers in this field and devoted medicinal chemists. According to the literature research and the writers' own research experience in the discovery of HDAC inhibitors. The inhibitors possessing new chemical scaffolds have attracted immense interest because they have the ability to improve HDAC isoform specificity and pharmaceutical properties. Focus is given to emerging medicinal chemistry principles and insights into the discovery and development of HDAC inhibitors. The development of effective HDACIs is shifting from trial-and-error approaches to sophisticated strategies. Effective profiling technologies will continue to have important utility. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  12. 2013 Philip S. Portoghese Medicinal Chemistry Lectureship: Drug Discovery Targeting Allosteric Sites†

    Science.gov (United States)

    2015-01-01

    The identification of sites on receptors topographically distinct from the orthosteric sites, so-called allosteric sites, has heralded novel approaches and modes of pharmacology for target modulation. Over the past 20 years, our understanding of allosteric modulation has grown significantly, and numerous advantages, as well as caveats (e.g., flat structure–activity relationships, species differences, “molecular switches”), have been identified. For multiple receptors and proteins, numerous examples have been described where unprecedented levels of selectivity are achieved along with improved physiochemical properties. While not a panacea, these novel approaches represent exciting opportunities for tool compound development to probe the pharmacology and therapeutic potential of discrete molecular targets, as well as new medicines. In this Perspective, in commemoration of the 2013 Philip S. Portoghese Medicinal Chemistry Lectureship (LindsleyC. W.Adventures in allosteric drug discovery. Presented at the 246th National Meeting of the American Chemical Society, Indianapolis, IN, September 10, 2013; The 2013 Portoghese Lectureship), several vignettes of drug discovery campaigns targeting novel allosteric mechanisms will be recounted, along with lessons learned and guidelines that have emerged for successful lead optimization. PMID:25180768

  13. Chemokine Receptor CCR5 Antagonist Maraviroc: Medicinal Chemistry and Clinical Applications

    Science.gov (United States)

    Xu, Guoyan G.; Guo, Jia; Wu, Yuntao

    2015-01-01

    The human immunodeficiency virus (HIV) causes acquired immumodeficiency syndrome (AIDS), one of the worst global pandemic. The virus infects human CD4 T cells and macrophages, and causes CD4 depletion. HIV enters target cells through the binding of the viral envelope glycoprotein to CD4 and the chemokine coreceptor, CXCR4 or CCR5. In particular, the CCR5-utilizing viruses predominate in the blood during the disease course. CCR5 is expressed on the surface of various immune cells including macrophages, monocytes, microglia, dendric cells, and active memory CD4 T cells. In the human population, the CCR5 genomic mutation, CCR5Δ32, is associated with relative resistance to HIV. These findings paved the way for the discovery and development of CCR5 inhibitors to block HIV transmission and replication. Maraviroc, discovered as a CCR5 antagonist, is the only CCR5 inhibitor that has been approved by both US FDA and the European Medicines Agency (EMA) for treating HIV/AIDS patients. In this review, we summarize the medicinal chemistry and clinical studies of Maraviroc. PMID:25159165

  14. Chemistry, microscopy and smell: bloodstains and nineteenth-century legal medicine.

    Science.gov (United States)

    Bertomeu-Sánchez, José Ramón

    2015-01-01

    This paper analyses the development of three methods for detecting bloodstains during the first half of the nineteenth-century in France. After dealing with the main problems in detecting bloodstains, the paper describes the chemical tests introduced in the mid-1820s. Then the first uses of the microscope in the detection of bloodstains around 1827 are discussed. The most controversial method is then examined, the smell test introduced by Jean-Pierre Barruel in 1829, and the debates which took place in French academies and learned societies during ensuing years are surveyed. Moving to the courtrooms a review is conducted of how the different methods were employed in criminal trials. By reviewing these cases, the main arguments against Barruel's test during the 1830s are explored as well as the changes making possible the return of the microscope to legal medicine around 1840. By reconstructing the history of these three methods, the paper reveals how the senses of smell and vision (colours and microscopic images) were employed in order to produce convincing evidence in both academies and courts. The paper questions two linear master narratives that are organized in terms of progress and decline: the development of forensic science as a result of continued technological progress; and the supposed decline of smell in the history of the senses, particularly in the realm of chemistry and medicine.

  15. Wavelength feature mapping as a proxy to mineral chemistry for investigating geologic systems: An example from the Rodalquilar epithermal system

    Science.gov (United States)

    van der Meer, Freek; Kopačková, Veronika; Koucká, Lucie; van der Werff, Harald M. A.; van Ruitenbeek, Frank J. A.; Bakker, Wim H.

    2018-02-01

    The final product of a geologic remote sensing data analysis using multi spectral and hyperspectral images is a mineral (abundance) map. Multispectral data, such as ASTER, Landsat, SPOT, Sentinel-2, typically allow to determine qualitative estimates of what minerals are in a pixel, while hyperspectral data allow to quantify this. As input to most image classification or spectral processing approach, endmembers are required. An alternative approach to classification is to derive absorption feature characteristics such as the wavelength position of the deepest absorption, depth of the absorption and symmetry of the absorption feature from hyperspectral data. Two approaches are presented, tested and compared in this paper: the 'Wavelength Mapper' and the 'QuanTools'. Although these algorithms use a different mathematical solution to derive absorption feature wavelength and depth, and use different image post-processing, the results are consistent, comparable and reproducible. The wavelength images can be directly linked to mineral type and abundance, but more importantly also to mineral chemical composition and subtle changes thereof. This in turn allows to interpret hyperspectral data in terms of mineral chemistry changes which is a proxy to pressure-temperature of formation of minerals. We show the case of the Rodalquilar epithermal system of the southern Spanish Gabo de Gata volcanic area using HyMAP airborne hyperspectral images.

  16. NATO Advanced Study Institute on Mixed-Valence Compounds : Theory and Applications in Chemistry, Physics, Geology, and Biology

    CERN Document Server

    1980-01-01

    It has been a decade since two seminal reviews demonstrated that mixed-valence compounds share many unique and fascinating features. The insight pro­ vided by those early works has promoted a great deal of both experimental and theoretical study. As a result of extensive efforts, our understanding of the bonding and properties of mixed-valence compounds has advanced substantially. There has been no compre­ hensive treatment of mixed-valence compounds since 1967, and the meeting convened at Oxford in September, 1979, provided a unique opportunity to examine the subject and its many ramifications. Mixed-valence compounds play an important role in many fields. Although the major impact of the subject has been in chemistry, its importance has become increasingly clear in solid state physics, geology, and biology. Extensive interest and effort in the field of molecular metals has demonstrated that mixed-valency is a prerequisite for high elec­ trical conductivity. The intense colors of many minerals have been s...

  17. The geology, botany and chemistry of selected peat-forming environments from temperate and tropical latitudes

    Science.gov (United States)

    Cameron, C.C.; Esterle, J.S.; Palmer, C.A.

    1989-01-01

    Peat has been studied in several geologic settings: (1) glaciated terrain in cold temperate Maine and Minnesota, U.S.A.; (2) an island in the Atlantic Ocean off the coast of Maine, where sea level is rising; (3) the warm temperate U.S. Atlantic and Gulf Coastal Plains, where sea level has changed often; and (4) the tropical coast of Sarawak, Malaysia, and the tropical delta of the Batang Hari River, Sumatra, Indonesia. Most of these deposits are domed (ombrotrophic or partly ombrotrophic) bogs in which peat accumulation continued above the surface of the surrounding soil. However, the bogs of the U.S. Atlantic and Gulf Coastal Plains are comparatively not as domed, and many have almost level surfaces. In some bogs, aquatic or semi-aquatic plant materials accumulated, replaced water in the depressions, and formed a surface on which marsh or swamp vegetation could subsequently live, die, and accumulate. In others, the plant materials accumulated initially on level silt or sand surfaces supporting marshes or swamps. As the peat dome formed, plants growing on it changed from luxuriant ones near the base of the dome, where nutrients were brought into the bog by surface and ground water, to stunted ones at the top of the dome, where the raised bogs are fed by nutrient-poor precipitation. The physical and chemical changes that take place in the sequence of environments from the pond stage of deposit development, through the grassy marsh stage, through the forested swamp stage, and finally through the heath dome stage can be measured in terms of acidity and ash, volatile matter, carbon, hydrogen, nitrogen, sulfur and oxygen contents, as well as in the kind and distribution of trace elements. The organic and inorganic contents of the deposits relate to geomorphology, and geomorphology relates to their settings. As models of coal formation, some domed peat deposits may help in solving problems of distribution and character of ancient coal beds. But clearly not all peat

  18. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    The chemical research and development efforts related to the design and ultimate operation of molten-salt breeder reactor systems are concentrated on fuel- and coolant-salt chemistry, including the development of analytical methods for use in these systems. The chemistry of tellurium in fuel salt is being studied to help elucidate the role of this element in the intergranular cracking of Hastelloy N. Studies were continued of the effect of oxygen-containing species on the equilibrium between dissolved UF 3 and dissolved UF 4 , and, in some cases, between the dissolved uranium fluorides and graphite, and the UC 2 . Several aspects of coolant-salt chemistry are under investigation. Hydroxy and oxy compounds that could be formed in molten NaBF 4 are being synthesized and characterized. Studies of the chemistry of chromium (III) compounds in fluoroborate melts were continued as part of a systematic investigation of the corrosion of structural alloys by coolant salt. An in-line voltammetric method for determining U 4+ /U 3+ ratios in fuel salt was tested in a forced-convection loop over a six-month period. (LK)

  19. EC4 European Syllabus for Post-Graduate Training in Clinical Chemistry and Laboratory Medicine: version 3 - 2005.

    Science.gov (United States)

    Zerah, Simone; McMurray, Janet; Bousquet, Bernard; Baum, Hannsjorg; Beastall, Graham H; Blaton, Vic; Cals, Marie-Josèphe; Duchassaing, Danielle; Gaudeau-Toussaint, Marie-Françoise; Harmoinen, Aimo; Hoffmann, Hans; Jansen, Rob T; Kenny, Desmond; Kohse, Klaus P; Köller, Ursula; Gobert, Jean-Gérard; Linget, Christine; Lund, Erik; Nubile, Giuseppe; Opp, Matthias; Pazzagli, Mario; Pinon, Georges; Queralto, José M; Reguengo, Henrique; Rizos, Demetrios; Szekeres, Thomas; Vidaud, Michel; Wallinder, Hans

    2006-01-01

    The EC4 Syllabus for Postgraduate Training is the basis for the European Register of Specialists in Clinical Chemistry and Laboratory Medicine. The syllabus: Indicates the level of requirements in postgraduate training to harmonise the postgraduate education in the European Union (EU); Indicates the level of content of national training programmes to obtain adequate knowledge and experience; Is approved by all EU societies for clinical chemistry and laboratory medicine. The syllabus is not primarily meant to be a training guide, but on the basis of the overview given (common minimal programme), national societies should formulate programmes that indicate where knowledge and experience is needed. The main points of this programme are: Indicates the level of requirements in postgraduate training to harmonise the postgraduate education in the European Union (EU); Indicates the level of content of national training programmes to obtain adequate knowledge and experience; Is approved by all EU societies for clinical chemistry and laboratory medicine. Knowledge in biochemistry, haematology, immunology, etc.; Pre-analytical conditions; Evaluation of results; Interpretations (post-analytical phase); Laboratory management; and Quality insurance management. The aim of this version of the syllabus is to be in accordance with the Directive of Professional Qualifications published on 30 September 2005. To prepare the common platforms planned in this directive, the disciplines are divided into four categories: Indicates the level of requirements in postgraduate training to harmonise the postgraduate education in the European Union (EU); Indicates the level of content of national training programmes to obtain adequate knowledge and experience; Is approved by all EU societies for clinical chemistry and laboratory medicine. Knowledge in biochemistry, haematology, immunology, etc.; Pre-analytical conditions; Evaluation of results; Interpretations (post-analytical phase); Laboratory

  20. Medicinal Chemistry, Pharmacology, and Clinical Implications of TRPV1 Receptor Antagonists.

    Science.gov (United States)

    Aghazadeh Tabrizi, Mojgan; Baraldi, Pier Giovanni; Baraldi, Stefania; Gessi, Stefania; Merighi, Stefania; Borea, Pier Andrea

    2017-07-01

    Transient receptor potential vanilloid 1 (TRPV1) is an ion channel expressed on sensory neurons triggering an influx of cations. TRPV1 receptors function as homotetramers responsive to heat, proinflammatory substances, lipoxygenase products, resiniferatoxin, endocannabinoids, protons, and peptide toxins. Its phosphorylation increases sensitivity to both chemical and thermal stimuli, while desensitization involves a calcium-dependent mechanism resulting in receptor dephosphorylation. TRPV1 functions as a sensor of noxious stimuli and may represent a target to avoid pain and injury. TRPV1 activation has been associated to chronic inflammatory pain and peripheral neuropathy. Its expression is also detected in nonneuronal areas such as bladder, lungs, and cochlea where TRPV1 activation is responsible for pathology development of cystitis, asthma, and hearing loss. This review offers a comprehensive overview about TRPV1 receptor in the pathophysiology of chronic pain, epilepsy, cough, bladder disorders, diabetes, obesity, and hearing loss, highlighting how drug development targeting this channel could have a clinical therapeutic potential. Furthermore, it summarizes the advances of medicinal chemistry research leading to the identification of highly selective TRPV1 antagonists and their analysis of structure-activity relationships (SARs) focusing on new strategies to target this channel. © 2016 Wiley Periodicals, Inc.

  1. Nitrofuranyl Methyl Piperazines as New Anti-TB Agents: Identification, Validation, Medicinal Chemistry, and PK Studies

    Science.gov (United States)

    2015-01-01

    Whole-cell screening of 20,000 drug-like small molecules led to the identification of nitrofuranyl methylpiperazines as potent anti-TB agents. In the present study, validation followed by medicinal chemistry has been used to explore the structure–activity relationship. Ten compounds demonstrated potent MIC in the range of 0.17–0.0072 μM against H37Rv Mycobacterium tuberculosis (MTB) and were further investigated against nonreplicating and resistant (RifR and MDR) strains of MTB. These compounds were also tested for cytotoxicity. Among the 10 tested compounds, five showed submicromolar to nanomolar potency against nonreplicating and resistant (RifR and MDR) strains of MTB along with a good safety index. Based on their overall in vitro profiles, the solubility and pharmacokinetic properties of five potent compounds were studied, and two analogues, 14f and 16g, were found to have comparatively better solubility than others tested and acceptable pharmacokinetic properties. This study presents the rediscovery of a nitrofuranyl class of compounds with improved aqueous solubility and acceptable oral PK properties, opening a new direction for further development. PMID:26487909

  2. Learning from Multiple Classifier Systems: Perspectives for Improving Decision Making of QSAR Models in Medicinal Chemistry.

    Science.gov (United States)

    Pham-The, Hai; Nam, Nguyen-Hai; Nga, Doan-Viet; Hai, Dang Thanh; Dieguez-Santana, Karel; Marrero-Poncee, Yovani; Castillo-Garit, Juan A; Casanola-Martin, Gerardo M; Le-Thi-Thu, Huong

    2018-02-09

    Quantitative Structure - Activity Relationship (QSAR) modeling has been widely used in medicinal chemistry and computational toxicology for many years. Today, as the amount of chemicals is increasing dramatically, QSAR methods have become pivotal for the purpose of handling the data, identifying a decision, and gathering useful information from data processing. The advances in this field have paved a way for numerous alternative approaches that require deep mathematics in order to enhance the learning capability of QSAR models. One of these directions is the use of Multiple Classifier Systems (MCSs) that potentially provide a means to exploit the advantages of manifold learning through decomposition frameworks, while improving generalization and predictive performance. In this paper, we presented MCS as a next generation of QSAR modeling techniques and discuss the chance to mining the vast number of models already published in the literature. We systematically revisited the theoretical frameworks of MCS as well as current advances in MCS application for QSAR practice. Furthermore, we illustrated our idea by describing ensemble approaches on modeling histone deacetylase (HDACs) inhibitors. We expect that our analysis would contribute to a better understanding about MCS application and its future perspectives for improving the decision making of QSAR models. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  3. Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.

    Science.gov (United States)

    Heinzlmeir, Stephanie; Lohse, Jonas; Treiber, Tobias; Kudlinzki, Denis; Linhard, Verena; Gande, Santosh Lakshmi; Sreeramulu, Sridhar; Saxena, Krishna; Liu, Xiaofeng; Wilhelm, Mathias; Schwalbe, Harald; Kuster, Bernhard; Médard, Guillaume

    2017-06-21

    The receptor tyrosine kinase EPHA2 has gained attention as a therapeutic drug target for cancer and infectious diseases. However, EPHA2 research and EPHA2-based therapies have been hampered by the lack of selective small-molecule inhibitors. Herein we report the synthesis and evaluation of dedicated EPHA2 inhibitors based on the clinical BCR-ABL/SRC inhibitor dasatinib as a lead structure. We designed hybrid structures of dasatinib and the previously known EPHA2 binders CHEMBL249097, PD-173955, and a known EPHB4 inhibitor in order to exploit both the ATP pocket entrance as well as the ribose pocket as binding epitopes in the kinase EPHA2. Medicinal chemistry and inhibitor design were guided by a chemical proteomics approach, allowing early selectivity profiling of the newly synthesized inhibitor candidates. Concomitant protein crystallography of 17 inhibitor co-crystals delivered detailed insight into the atomic interactions that underlie the structure-affinity relationship. Finally, the anti-proliferative effect of the inhibitor candidates was confirmed in the glioblastoma cell line SF-268. In this work, we thus discovered a novel EPHA2 inhibitor candidate that features an improved selectivity profile while maintaining potency against EPHA2 and anticancer activity in SF-268 cells. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Coumarin Compounds in Medicinal Chemistry: Some Important Examples from the Last Years.

    Science.gov (United States)

    Pereira, Thiago Moreira; Franco, Daiana Portella; Vitorio, Felipe; Kummerle, Arthur Eugen

    2018-01-01

    Coumarins are natural products characterized as 1,2 benzopyrones widely distributed in plants, as well as, in many species of fungi and bacteria. Nowadays, many synthetic procedures allow the discovery of coumarins with expanded chemical space. The ability to exert noncovalent interactions with many enzymes and receptors in live organisms lead the coumarins to exhibit a wide range of biological activities and applications. Then, this manuscript provides an overview of the use of coumarins compounds in medicinal chemistry in treating many diseases. Important examples of the last years have been selected concerning the activities of coumarins as anticoagulant, anticancer, antioxidant, antiviral, anti-diabetics, anti-inflammatory, antibacterial, antifungal and anti-neurodegerative agents. Additionally, it also includes applications of coumarins as fluorescent sensors for biological systems. Thus, this work aims to contribute to the development of new rational research projects for the treatment and diagnosis of pathologies using coumarin derivatives. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  5. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1976-01-01

    Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF 4 --H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF 2 --ThF 4 for Fe and analysis of LiF--BeF--ThF 4 for Te

  6. Development and tuning of an original search engine for patent libraries in medicinal chemistry.

    Science.gov (United States)

    Pasche, Emilie; Gobeill, Julien; Kreim, Olivier; Oezdemir-Zaech, Fatma; Vachon, Therese; Lovis, Christian; Ruch, Patrick

    2014-01-01

    The large increase in the size of patent collections has led to the need of efficient search strategies. But the development of advanced text-mining applications dedicated to patents of the biomedical field remains rare, in particular to address the needs of the pharmaceutical & biotech industry, which intensively uses patent libraries for competitive intelligence and drug development. We describe here the development of an advanced retrieval engine to search information in patent collections in the field of medicinal chemistry. We investigate and combine different strategies and evaluate their respective impact on the performance of the search engine applied to various search tasks, which covers the putatively most frequent search behaviours of intellectual property officers in medical chemistry: 1) a prior art search task; 2) a technical survey task; and 3) a variant of the technical survey task, sometimes called known-item search task, where a single patent is targeted. The optimal tuning of our engine resulted in a top-precision of 6.76% for the prior art search task, 23.28% for the technical survey task and 46.02% for the variant of the technical survey task. We observed that co-citation boosting was an appropriate strategy to improve prior art search tasks, while IPC classification of queries was improving retrieval effectiveness for technical survey tasks. Surprisingly, the use of the full body of the patent was always detrimental for search effectiveness. It was also observed that normalizing biomedical entities using curated dictionaries had simply no impact on the search tasks we evaluate. The search engine was finally implemented as a web-application within Novartis Pharma. The application is briefly described in the report. We have presented the development of a search engine dedicated to patent search, based on state of the art methods applied to patent corpora. We have shown that a proper tuning of the system to adapt to the various search tasks

  7. Synergistic Interplay of Medicinal Chemistry and Formulation Strategies in Nanotechnology - From Drug Discovery to Nanocarrier Design and Development.

    Science.gov (United States)

    Sunoqrot, Suhair; Hamed, Rania; Abdel-Halim, Heba; Tarawneh, Ola

    2017-01-01

    Over the last few decades, nanotechnology has given rise to promising new therapies and diagnostic tools for a wide range of diseases, especially cancer. The unique properties of nanocarriers such as liposomes, polymeric nanoparticles, micelles, and bioconjugates have mainly been exploited to enhance drug solubility, dissolution, and bioavailability. The most important advantage offered by nanotechnology is the ability to specifically target organs, tissues, and individual cells, which ultimately reduces the systemic side effects and improves the therapeutic index of drug molecules. The contribution of medicinal chemistry to nanotechnology is evident in the abundance of new active molecules that are being discovered but are faced with tremendous delivery challenges by conventional formulation strategies. Additionally, medicinal chemistry plays a crucial role in all the steps involved in the preparation of nanocarriers, where structure-activity relationships of the drug molecule as well as the nanocarrier are harnessed to enhance the design, efficacy, and safety of nanoformulations. The aim of this review is to provide an overview of the contributions of medicinal chemistry to nanotechnology, from supplying drug candidates and inspiring high-throughput nanocarrier design strategies, to structure-activity relationship elucidation and construction of computational models for better understanding of nanocarrier physicochemical properties and biological behavior. These two fields are undoubtedly interconnected and we will continue to see the fruits of that communion for years to come. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  8. [Review of traditional Chinese medicine external applications to treat chemistry phlebitis].

    Science.gov (United States)

    Sha, Sha; Liu, Weiqun; Cheng, Lushan; Ge, Jinjin

    2011-09-01

    This article reviewed the literatures in this area over the past 5 years according to three parts: simple traditional Chinese medicine external application, combination of traditional Chinese medicine and Western medicine, combination of traditional Chinese medicine and physical therapy, and came to several effective prescriptions.

  9. Simultaneous modeling of antimycobacterial activities and ADMET profiles: a chemoinformatic approach to medicinal chemistry.

    Science.gov (United States)

    Speck-Planche, Alejandro; Cordeiro, M N D S

    2013-01-01

    Mycobacteria represent a group of pathogens which cause serious diseases in mammals, including the lethal tuberculosis (Mycobacterium tuberculosis). Despite the mortality of this community-acquired and nosocomial disease mentioned above, other mycobacteria may cause similar infections, acting as dangerous opportunistic pathogens. Additionally, resistant strains belonging to Mycobacterium spp. have emerged. Thus, the design of novel antimycobacterial agents is a challenge for the scientific community. In this sense, chemoinformatics has played a vital role in drug discovery, helping to rationalize chemical synthesis, as well as the evaluation of pharmacological and ADMET (absorption, distribution, metabolism, excretion, toxicity) profiles in both medicinal and pharmaceutical chemistry. Until now, there is no in silico methodology able to assess antimycobacterial activity and ADMET properties at the same time. This work introduces the first multitasking model based on quantitative-structure biological effect relationships (mtk-QSBER) for simultaneous prediction of antimycobacterial activities and ADMET profiles of drugs/chemicals under diverse experimental conditions. The mtk-QSBER model was constructed by using a large and heterogeneous dataset of compounds (more than 34600 cases), displaying accuracies higher than 90% in both, training and prediction sets. To illustrate the utility of the present model, several molecular fragments were selected and their contributions to different biological effects were calculated and analyzed. Also, many properties of the investigational drug TMC-207 were predicted. Results confirmed that, from one side, TMC-207 can be a promising antimycobacterial drug, and on the other hand, this study demonstrates that the present mtk-QSBER model can be used for virtual screening of safer antimycobacterial agents.

  10. [An iatrochemist in Lower Canada: François Blanchet and his Research on medicine, or application of chemistry in medicine].

    Science.gov (United States)

    Castonguay, S

    1996-01-01

    Francois Blanchet holds a central place in the history of medicine in Lower Canada (now Quebec): a prime mover in the professionalization of French-Canadian physicians, Blanchet was also one of the first Canadians to have studied outside of Canada. While he was in New York, where he studied medicine at Columbia College, he published a book entitled Recherches sur la medecine ou application de la chimie a la medicine. The historiography of Canadian medicine frequently cites this book and presents it as one of the first Canadian medical publications but has not always explored its scientific content. This article therefore examines the medico-chemical aspects of Blanchet's work. Influenced by the Lavoisian revolution in chemistry, Blanchet elaborated a system where etiology and therapy rested on two new elements of nomenclature put forward by French chemists--oxygen and caloric. After examining Blanchet's iatrochemical system, this article compared Recherches sur la medecine with contemporaneous American and European publications in medicine which were themselves inspired by the pneumatic theory of French chemists.

  11. Nuclear analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

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

    1984-01-01

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

  12. Nuclear analytical chemistry

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  13. Chemistry

    International Nuclear Information System (INIS)

    Ferris, L.M.

    1975-01-01

    Research and development activities dealing with the chemical problems related to design and ultimate operation of molten-salt reactor systems are described. An experimental test stand was constructed to expose metallurgical test specimens to Te 2 vapor at defined temperatures and deposition rates. To better define the chemistry of fluoroborate coolant, several aspects are being investigated. The behavior of hydroxy and oxy compounds in molten NaBF 4 is being investigated to define reactions and compounds that may be involved in corrosion and/or could be involved in methods for trapping tritium. Two corrosion products of Hastelloy N, Na 3 CrF 6 and Na 5 Cr 3 F 14 , were identified from fluoroborate systems. The evaluation of fluoroborate and alternate coolants continued. Research on the behavior of hydrogen and its isotopes is summarized. The solubilities of hydrogen, deuterium, and helium in Li 2 BeF 4 are very low. The sorption of tritium on graphite was found to be significant (a few milligrams of tritium per kilogram of graphite), possibly providing a means of sequestering a portion of the tritium produced. Development of analytical methods continued with emphasis on voltammetric and spectrophotometric techniques for the in-line analysis of corrosion products such as Fe 2+ and Cr 3+ and the determination of the U 3+ /U 4+ ratio in MSBR fuel salt. Similar studies were conducted with the NaBF 4 --NaF coolant salt. Information developed during the previous operation of the CSTF has been assessed and used to formulate plans for evaluation of in-line analytical methods in future CSTF operations. Electroanalytical and spectrophotometric research suggests that an electroactive protonic species is present in molten NaBF 4 --NaF, and that this species rapidly equilibrates with a volatile proton-containing species. Data obtained from the CSTF indicated that tritium was concentrated in the volatile species. (JGB)

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

    Science.gov (United States)

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

    2017-03-01

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

  15. From Medicinal Chemistry to Human Health: Current Approaches to Drug Discovery for Cancer and Neglected Tropical Diseases

    Directory of Open Access Journals (Sweden)

    LEONARDO G. FERREIRA

    2018-02-01

    Full Text Available ABSTRACT Scientific and technological breakthroughs have compelled the current players in drug discovery to increasingly incorporate knowledge-based approaches. This evolving paradigm, which has its roots attached to the recent advances in medicinal chemistry, molecular and structural biology, has unprecedentedly demanded the development of up-to-date computational approaches, such as bio- and chemo-informatics. These tools have been pivotal to catalyzing the ever-increasing amount of data generated by the molecular sciences, and to converting the data into insightful guidelines for use in the research pipeline. As a result, ligand- and structure-based drug design have emerged as key pathways to address the pharmaceutical industry’s striking demands for innovation. These approaches depend on a keen integration of experimental and molecular modeling methods to surmount the main challenges faced by drug candidates - in vivo efficacy, pharmacodynamics, metabolism, pharmacokinetics and safety. To that end, the Laboratório de Química Medicinal e Computacional (LQMC of the Universidade de São Paulo has developed forefront research on highly prevalent and life-threatening neglected tropical diseases and cancer. By taking part in global initiatives for pharmaceutical innovation, the laboratory has contributed to the advance of these critical therapeutic areas through the use of cutting-edge strategies in medicinal chemistry.

  16. Multistep continuous-flow synthesis in medicinal chemistry: discovery and preliminary structure-activity relationships of CCR8 ligands.

    Science.gov (United States)

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

    2013-07-08

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

  17. Synthetic Medicinal Chemistry in Chagas' Disease: Compounds at The Final Stage of "Hit-To-Lead" Phase.

    Science.gov (United States)

    Cerecetto, Hugo; González, Mercedes

    2010-03-25

    Chagas' disease, or American trypanosomosiasis, has been the most relevant illness produced by protozoa in Latin America. Synthetic medicinal chemistry efforts have provided an extensive number of chemodiverse hits at the "active-to-hit" stage. However, only a more limited number of these have been studied in vivo in models of Chagas' disease. Herein, we survey some of the cantidates able to surpass the "hit-to-lead" stage discussing their limitations or merit to enter in clinical trials in the short term.

  18. How green is green chemistry? Chlorophylls as a bioresource from biorefineries and their commercial potential in medicine and photovoltaics.

    Science.gov (United States)

    Ryan, Aoife A; Senge, Mathias O

    2015-04-01

    As the world strives to create a more sustainable environment, green chemistry has come to the fore in attempts to minimize the use of hazardous materials and shift the focus towards renewable sources. Chlorophylls, being the definitive "green" chemical are rarely used for such purposes and this article focuses on the exploitation of this natural resource, the current applications of chlorophylls and their derivatives whilst also providing a perspective on the commercial potential of large-scale isolation of these pigments from biomass for energy and medicinal applications.

  19. Chemistry-transport coupling and retroactive effects on material properties within the context of a deep geological repository

    International Nuclear Information System (INIS)

    Bildstein, O.

    2010-06-01

    The author gives an overview of his research and teaching activities. His researches first dealt with the development of a simulation of the chemistry/transport coupling and of the retroactive effects on transport parameters, then with the chemistry/transport modelling and its coupling with mechanics, and finally with the multi-scale investigation of porous materials. Perspectives are discussed and publications are indicated

  20. Project-focused activity and knowledge tracker: a unified data analysis, collaboration, and workflow tool for medicinal chemistry project teams.

    Science.gov (United States)

    Brodney, Marian D; Brosius, Arthur D; Gregory, Tracy; Heck, Steven D; Klug-McLeod, Jacquelyn L; Poss, Christopher S

    2009-12-01

    Advances in the field of drug discovery have brought an explosion in the quantity of data available to medicinal chemists and other project team members. New strategies and systems are needed to help these scientists to efficiently gather, organize, analyze, annotate, and share data about potential new drug molecules of interest to their project teams. Herein we describe a suite of integrated services and end-user applications that facilitate these activities throughout the medicinal chemistry design cycle. The Automated Data Presentation (ADP) and Virtual Compound Profiler (VCP) processes automate the gathering, organization, and storage of real and virtual molecules, respectively, and associated data. The Project-Focused Activity and Knowledge Tracker (PFAKT) provides a unified data analysis and collaboration environment, enhancing decision-making, improving team communication, and increasing efficiency.

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

    Science.gov (United States)

    Lim, Felicia Phei Lin; Dolzhenko, Anton V

    2014-10-06

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

  2. Wavelength feature mapping as a proxy to mineral chemistry for investigating geologic systems : An example from the Rodalquilar epithermal system

    NARCIS (Netherlands)

    van der Meer, F.D.; Kopačková, Veronika; Koucká, Lucie; van der Werff, H.M.A.; van Ruitenbeek, F.J.A.; Bakker, W.H.

    2018-01-01

    The final product of a geologic remote sensing data analysis using multi spectral and hyperspectral images is a mineral (abundance) map. Multispectral data, such as ASTER, Landsat, SPOT, Sentinel-2, typically allow to determine qualitative estimates of what minerals are in a pixel, while

  3. An Origin of Life in Cycling Hot Spring Pools: Emerging Evidence from Chemistry, Geology and Computational Studies

    Science.gov (United States)

    Deamer, D. W.; Damer, B. F.; Van Kranendonk, M. J.; Djokic, T.

    2017-07-01

    New evidence for an origin of life in a hot spring setting on land is supported by three studies: chemical (polymerization in wet-dry cycles), geological (stromatolites in a 3.48 Ga geothermal field) and computational (verifying the kinetic trap).

  4. Using Free Computational Resources to Illustrate the Drug Design Process in an Undergraduate Medicinal Chemistry Course

    Science.gov (United States)

    Rodrigues, Ricardo P.; Andrade, Saulo F.; Mantoani, Susimaire P.; Eifler-Lima, Vera L.; Silva, Vinicius B.; Kawano, Daniel F.

    2015-01-01

    Advances in, and dissemination of, computer technologies in the field of drug research now enable the use of molecular modeling tools to teach important concepts of drug design to chemistry and pharmacy students. A series of computer laboratories is described to introduce undergraduate students to commonly adopted "in silico" drug design…

  5. [Chemists and chemistry in the Journal of Medicine, Surgery, Pharmacy &c., from 1754 until 1791].

    Science.gov (United States)

    Fournier, Josette

    2006-01-01

    Since its coming out (1754) until the publication of the Annales de chimie (1789), the Journal de Médecine, Chirurgie, Pharmacie, &c. received papers and pieces of news from chemists; many of them cultivated their love for chemistry while they practised health professions.

  6. Influence of bedrock geology on water chemistry of slope wetlands and headwater streams in the southern Rocky Mountains

    Science.gov (United States)

    Monique LaPerriere Nelson; Charles C. Rhoades; Kathleen A. Dwire

    2011-01-01

    We characterized the water chemistry of nine slope wetlands and adjacent headwater streams in Colorado subalpine forests and compared sites in basins formed on crystalline bedrock with those formed in basins with a mixture of crystalline and sedimentary bedrock. The pH, Ca2+, Mg2+, NH4 +, acid neutralizing capacity, and electrical conductivity of wetland porewater and...

  7. Meeting of the French geological society - Uranium: geology, geophysics, chemistry. Book of abstracts; Reunion de la Societe Geologique de France - Uranium: geologie, geophysique, chimie. Recueil des resumes

    Energy Technology Data Exchange (ETDEWEB)

    Zakari, A.A.; Mima, S.; Bidaud, A.; Criqui, P.; Menanteau, P.; David, S.; Pagel, M.; Chagnes, A.; Cote, G.; Courtaud, B.; Thiry, J.; Miehe, J.M.; Gilbert, F.; Cuney, M.; Bruneton, P.; Ewington, D.; Vautrin-Ul, C.; Cannizzo, C.; Betelu, S.; Chausse, A.; Ly, J.; Bourgeois, D.; Maynadie, J.; Meyer, D.; Clavier, N.; Costin, D.T.; Cretaz, F.; Szenknect, S.; Ravaux, J.; Poinssot, C.; Dacheux, N.; Durupt, N.; Blanvillain, J.J.; Geffroy, F.; Aparicio, B.; Dubessy, J.; Nguyen-Trung, C.; Robert, P.; Uri, F.; Beaufort, D.; Lescuyer, J.L.; Morichon, E.; Allard, T.; Milesi, J.P.; Richard, A.; Rozsypal, C.; Mercadier, J.; Banks, D.A.; Boiron, M.C.; Cathelineau, M.; Dardel, J.; Billon, S.; Patrier, P.; Wattinne, A.; Vanderhaeghe, O.; Fabre, C.; Castillo, M.; Salvi, S.; Beziat, D.; Williams-Jones, A.E.; Trap, P.; Durand, C.; Goncalves, P.; Marquer, D.; Feybesse, J.L.; Richard, Y.; Orberger, B.; Hofmann, A.; Megneng, M.; Orberger, B.; Bouttemy, M.; Vigneron, J.; Etcheberry, A.; Perdicakis, M.; Prignon, N.; Toe, W.; Andre-Mayer, A.S.; Eglinger, A.; Jordaan, T.; Hocquet, S.; Ledru, P.; Selezneva, V.; Vendryes, G.; Lach, P.; Cuney, M.; Mercadier, J.; Brouand, M.; Duran, C.; Seydoux-Guillaume, A.M.; Bingen, B.; Parseval, P. de; Guillaume, D.; Bosse, V.; Paquette, J.L.; Ingrin, J.; Montel, J.M.; Giot, R.; Maucotel, F.; Hubert, S.; Gautheron, C.; Tassan-Got, L.; Pagel, M.; Barbarand, J.; Cuney, M.; Lach, P.; Bonhoure, J.; Leisen, M.; Kister, P.; Salaun, A.; Villemant, B.; Gerard, M.; Komorowski, J.C.; Michel, A.; Riegler, T.; Tartese, R.; Boulvais, P.; Poujols, M.; Gloaguen, E.; Mazzanti, M.; Mougel, V.; Nocton, G.; Biswas, B.; Pecaut, J.; Othmane, G.; Menguy, N.; Vercouter, T.; Morin, G.; Galoisy, L.; Calas, G.; Fayek, M.

    2010-11-15

    This document brings together the abstracts of the 39 presentations given at this meeting days on uranium, organized by the French geological society, and dealing with: 1 - Prospective study of the electronuclear technological transition; 2 - The front-end of the nuclear cycle: from the molecule to the process; 3 - Geophysics: recent changes; 4 - Use of well logging in uranium exploration; 5 - Genetical classification of thorium deposits; 6 - Genetical nomenclature of uranium sources; 7 - Uranium deposits linked to a Proterozoic discordance - retrospective; 8 - The use of spectral analysis techniques in uranium exploration: real-time mapping of clay alteration features; 9 - Development of functionalized silk-screened carbon electrodes for the analysis of uranium trace amounts; 10 - Study of the actinides solvation sphere in organic environment; 11 - Thermodynamic of uraniferous phases of interest for the nuclear cycle; 12 - Heap leaching of marginal minerals at Somair: from lab studies to the production of 700 t of uranium/year; 13 - Agglomeration phenomenology and role of iron in uranium heap leaching; 14 - Chloride uranyl complexes up to 300 deg. C along the saturation vapour curve: Raman spectroscopy analysis and metallogenic consequences; 15 - Weathering systems in the Shea Creek deposit (Athabasca, Canada): vertical variability of argillaceous weathering; 16 - Weathering systems in the Shea Creek deposit (Athabasca, Canada): contribution of irradiation defects in clays to the tracing of past uranium migrations; 17 - Uranium concentrations in mineralizing fluids of the Athabasca basin: analytical and experimental approach; 18 - Paleo-surfaces and metallic rooting: the autochthonous uranium of pre-Athabasca paleo-alterites, Canada; 19 - Distribution of argillaceous parageneses in the Imouraren deposit - Niger; 20 - Heat flux and radioelements concentration (U, Th, K) of precambrian basements: implications in terms of crust growth mechanisms, paleo

  8. Magnetic separation: its application in mining, waste purification, medicine, biochemistry and chemistry.

    Science.gov (United States)

    Iranmanesh, M; Hulliger, J

    2017-10-02

    The use of strong magnetic field gradients and high magnetic fields generated by permanent magnets or superconducting coils has found applications in many fields such as mining, solid state chemistry, biochemistry and medical research. Lab scale or industrial implementations involve separation of macro- and nanoparticles, cells, proteins, and macromolecules down to small molecules and ions. Most promising are those attempts where the object to be separated is attached to a strong magnetic nanoparticle. Here, all kinds of specific affinity interactions are used to attach magnetic carrier particles to mainly objects of biological interest. Other attempts use a strong paramagnetic suspension for the separation of purely diamagnetic objects, such as bio-macromolecules or heavy metals. The application of magnetic separation to superconducting inorganic phases is of particular interest in combination with ceramic combinatorial chemistry to generate a library of e.g. cuprate superconductors.

  9. 5-Azacytosine compounds in medicinal chemistry: current stage and future perspectives

    Czech Academy of Sciences Publication Activity Database

    Krečmerová, Marcela; Otmar, Miroslav

    2012-01-01

    Roč. 4, č. 8 (2012), s. 991-1005 ISSN 1756-8919 R&D Projects: GA MPO FR-TI4/625 Institutional support: RVO:61388963 Keywords : 5-azacytidine * 2´-deoxy-5-azacytidine * hypomethylation * DAC * epigenetics * DNA methylation * acyclic nucleoside phosphonates * 5-azacytosine * HPMP-5-azacytosine * prodrugs Subject RIV: CC - Organic Chemistry Impact factor: 3.310, year: 2012

  10. George de Hevesy (1885-1966). Discoverer of hafnium, founder of radioanalytical chemistry and X-ray fluorescence analysis and father of nuclear medicine

    International Nuclear Information System (INIS)

    Niese, Siegfried

    2017-01-01

    George de Hevesy known as discoverer of hafnium, founder of radioanalytical chemistry and X-ray fluorescence analysis and father of nuclear medicine has done important research work in inorganic, physical and radioanalytical and physiological chemistry as well as in geochemistry, radiation biology and medicine. When he must flee for political reasons from a country he must change his colleagues, his equipments, and the topic of his work. It is extremely surprising that he could receive important results under such circumstances even at an advanced age. (author)

  11. Technetium chemistry

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  12. Ionic Liquid-Like Pharmaceutical Ingredients and Applications of Ionic Liquids in Medicinal Chemistry: Development, Status and Prospects.

    Science.gov (United States)

    Tang, Jie; Song, Hang; Feng, Xueting; Yohannes, Alula; Yao, Shun

    2018-06-05

    As a new kind of green media and bioactive compounds with special structure, ionic liquids (ILs) are attracting much attention and applied widely in many fields. However, their roles and potential have not been fully recognized by many researchers of medicinal chemistry. Because of obvious differences from other traditional drugs and reagents, their uses and performance together with advantages and disadvantages need to be explored and reviewed in detail. For systematic and explicit description of the relationship between ILs and medicinal chemistry, all of the contents were elucidated and summarized in a series of independent parts. In each part, it started from the research background or a conceptual framework and then specific examples were introduced to illustrate the theme. Finally, the important conclusions were drawn and its future was outlooked after the discussion about related key problems appearing in each mentioned research. Meanwhile, methodologies such as empirical analysis, comparison and induction were applied in different sections to exposit our subject. The whole review was composed of five parts, and 148 papers were cited in total. Related basic information of ionic liquids was provided on the basis of representative references, including their concepts and important characters. Then 82 papers outlined ionic liquid-like active pharmaceutical ingredients, which unfolded with their major biological activities (antimicrobial activity, antibiofilm activity, antitumor activity, anticholinesterase activity and so on). Applications of ionic liquids in synthesis of drugs and pharmaceutical intermediates were elaborated in 92 papers to illustrate the important roles of ILs and their extraordinary properties in this field. Moreover, new technologies (such as immobilization of IL, microwave reaction, solvent-free synthesis, microreactor, etc) were introduced for further innovation. Finally, 26 papers were included to expound the status about the IL

  13. College Graduate with NCI Internship Gains Experience, Carries Chemistry into Medicine | Poster

    Science.gov (United States)

    For Jennifer Marshall, the skills learned through an internship at the National Cancer Institute (NCI) at Frederick have prepared her for the next step of her life—medical school. Marshall, who will be attending the West Virginia University School of Medicine in the fall, spent three summers in NCI at Frederick’s Summer Internship Program expanding her love and passion for

  14. Medicines

    Science.gov (United States)

    Medicines can treat diseases and improve your health. If you are like most people, you need to take medicine at some point in your life. You may need to take medicine every day, or you may only need to ...

  15. Selectivity on-target of bromodomain chemical probes by structure-guided medicinal chemistry and chemical biology.

    Science.gov (United States)

    Galdeano, Carles; Ciulli, Alessio

    2016-09-01

    Targeting epigenetic proteins is a rapidly growing area for medicinal chemistry and drug discovery. Recent years have seen an explosion of interest in developing small molecules binding to bromodomains, the readers of acetyl-lysine modifications. A plethora of co-crystal structures has motivated focused fragment-based design and optimization programs within both industry and academia. These efforts have yielded several compounds entering the clinic, and many more are increasingly being used as chemical probes to interrogate bromodomain biology. High selectivity of chemical probes is necessary to ensure biological activity is due to an on-target effect. Here, we review the state-of-the-art of bromodomain-targeting compounds, focusing on the structural basis for their on-target selectivity or lack thereof. We also highlight chemical biology approaches to enhance on-target selectivity.

  16. Inhibition of Human Serine Racemase, an Emerging Target for Medicinal Chemistry

    Czech Academy of Sciences Publication Activity Database

    Jirásková-Vaníčková, Jana; Ettrich, Rüdiger; Vorlová, Barbora; Hoffman, Hillary Elizabeth; Lepšík, Martin; Jansa, Petr; Konvalinka, Jan

    2011-01-01

    Roč. 12, č. 7 (2011), s. 1037-1055 ISSN 1389-4501 R&D Projects: GA MŠk 1M0508; GA ČR GA203/08/0114 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z60870520 Keywords : amino acid analogs * L-erythro-3-hydroxyaspartate (L-EHA) * D-serine * neurodegenerative diseases * NMDA receptors * pyridoxal-5´-phosphate (PLP) Subject RIV: FR - Pharmacology ; Medidal Chemistry Impact factor: 3.553, year: 2011

  17. [Antoine Béchamp and Victor Cornil Memento for Romanian pharmacy, chemistry and medicine].

    Science.gov (United States)

    Buiuc, D; Pânzaru, Carmen

    2008-01-01

    Today we commemorate a century from the death of two Romanian loving scientists: Antoine Béchamp (1816- March 31 1908), pharmacist, chemist and physician, professor at the Universities of Strasbourg, Montpellier and Lille, and Victor Cornil (1837- April 14 1908), physician, histopathologist and bacteriologist, professor of the University of Medicine in Paris, co-author with Victor Babeş on the first ever Bacteriological Treaty.

  18. The EC4 European syllabus for post-graduate training in clinical chemistry and laboratory medicine: version 4--2012.

    Science.gov (United States)

    Wieringa, Gijsbert; Zerah, Simone; Jansen, Rob; Simundic, Ana-Maria; Queralto, José; Solnica, Bogdan; Gruson, Damien; Tomberg, Karel; Riittinen, Leena; Baum, Hannsjörg; Brochet, Jean-Philippe; Buhagiar, Gerald; Charilaou, Charis; Grigore, Camelia; Johnsen, Anders H; Kappelmayer, Janos; Majkic-Singh, Nada; Nubile, Giuseppe; O'Mullane, John; Opp, Matthias; Pupure, Silvija; Racek, Jaroslav; Reguengo, Henrique; Rizos, Demetrios; Rogic, Dunja; Špaňár, Július; Štrakl, Greta; Szekeres, Thomas; Tzatchev, Kamen; Vitkus, Dalius; Wallemacq, Pierre; Wallinder, Hans

    2012-08-01

    Laboratory medicine's practitioners across the European community include medical, scientific and pharmacy trained specialists whose contributions to health and healthcare is in the application of diagnostic tests for screening and early detection of disease, differential diagnosis, monitoring, management and treatment of patients, and their prognostic assessment. In submitting a revised common syllabus for post-graduate education and training across the 27 member states an expectation is set for harmonised, high quality, safe practice. In this regard an extended 'Core knowledge, skills and competencies' division embracing all laboratory medicine disciplines is described. For the first time the syllabus identifies the competencies required to meet clinical leadership demands for defining, directing and assuring the efficiency and effectiveness of laboratory services as well as expectations in translating knowledge and skills into ability to practice. In a 'Specialist knowledge' division, the expectations from the individual disciplines of Clinical Chemistry/Immunology, Haematology/Blood Transfusion, Microbiology/ Virology, Genetics and In Vitro Fertilisation are described. Beyond providing a common platform of knowledge, skills and competency, the syllabus supports the aims of the European Commission in providing safeguards to increasing professional mobility across European borders at a time when demand for highly qualified professionals is increasing and the labour force is declining. It continues to act as a guide for the formulation of national programmes supplemented by the needs of individual country priorities.

  19. Case-based studies in teaching medicinal chemistry in PharmD curriculum: Perspectives of students, faculty, and pharmacists from academia.

    Science.gov (United States)

    Das, Joydip; Fernandez, Julianna; Shah, Dhara; Williams, Louis; Zagaar, Munder

    Pharmacy practice has evolved tremendously over the years to meet the demands of the growing healthcare system. Foundational sciences like, medicinal chemistry can enhance the critical-thinking and therapeutic decision-making skills of today's professional pharmacists. The importance of medicinal chemistry for the doctor of pharmacy (PharmD) curriculum has been discussed from the perspectives of medicinal chemistry and practicing clinical faculty whose focused practices vary from infectious diseases to geriatrics. An Institutional Review Board (IRB)-approved perception survey and a year-end course evaluation were given to the second and third professional year students. Eighty-eight percent of the participating second-year students and 92% of the participating third-year students thought that the introduction of case studies in the medicinal chemistry curriculum enhanced their learning and appreciation for the subject. The Pharmacy Curriculum Outcomes Assessment (PCOA) exams, given at the University of Houston College of Pharmacy during the years of 2013-2015, were briefly discussed. Since the requirement to administer the PCOA went into effect in early 2016, the authors felt that not enough time existed to establish meaningful controls to conduct a correlation study with the student perspective survey results obtained and PCOA data provided in 2015. This study, therefore, highlights the importance of integrated approaches to pharmacy teaching at the University of Houston. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. [Research progress and trend analysis of biology and chemistry of Taxus medicinal resources].

    Science.gov (United States)

    Hao, Da-Cheng; Xiao, Pei-Gen; Peng, Yong; Liu, Ming; Huo, Li

    2012-07-01

    Taxus is the source plant of anti-cancer drug paclitaxel and its biosynthetic precursor, analogs and derivatives, which has been studying for decades. There are many endemic Taxus species in China, which have been studied in the field of multiple disciplines. Based on the recent studies of the researchers, this review comments on the study of Taxus biology and chemistry. The bibliometric method is used to quantify the global scientific production of Taxus-related research, and identify patterns and tendencies of Taxus-related articles. Gaps are present in knowledge about the genomics, epigenomics, transcriptomics, proteomics, metabolomics and bioinformatics of Taxus and their endophytic fungi. Systems biology and various omics technologies will play an increasingly important role in the coming decades.

  1. Indoles as therapeutics of interest in medicinal chemistry: Bird's eye view.

    Science.gov (United States)

    Chadha, Navriti; Silakari, Om

    2017-07-07

    Indoles constitute extensively explored heterocyclic ring systems with wide range of applications in pathophysiological conditions that is, cancer, microbial and viral infections, inflammation, depression, migraine, emesis, hypertension, etc. Presence of indole nucleus in amino acid tryptophan makes it prominent in phytoconstituents such as perfumes, neurotransmitters, auxins (plant hormones), indole alkaloids etc. The interesting molecular architecture of indole makes them suitable candidates for the drug development. This review article provides an overview of the chemistry, biology, and toxicology of indoles focusing on their application as drugs. Our effort is to corroborate the information available on the natural indole alkaloids, indole based FDA approved drugs and clinical trial candidates having diverse therapeutic implementations. This compiled information may serve as a benchmark for the alteration of existing ligands to design novel potent molecules with lesser side effects. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  2. An Overview on Medicinal Chemistry of Synthetic and Natural Derivatives of Cannabidiol

    Directory of Open Access Journals (Sweden)

    Paula Morales

    2017-06-01

    Full Text Available Cannabidiol (CBD has been traditionally used in Cannabis-based preparation, however historically, it has received far less interest as a single drug than the other components of Cannabis. Currently, CBD generates considerable interest due to its beneficial neuroprotective, antiepileptic, anxiolytic, antipsychotic, and anti-inflammatory properties. Therefore, the CBD scaffold becomes of increasing interest for medicinal chemists. This review provides an overview of the chemical structure of natural and synthetic CBD derivatives including the molecular targets associated with these compounds. A clear identification of their biological targets has been shown to be still very challenging.

  3. Lead optimization attrition analysis (LOAA): a novel and general methodology for medicinal chemistry.

    Science.gov (United States)

    Munson, Mark; Lieberman, Harvey; Tserlin, Elina; Rocnik, Jennifer; Ge, Jie; Fitzgerald, Maria; Patel, Vinod; Garcia-Echeverria, Carlos

    2015-08-01

    Herein, we report a novel and general method, lead optimization attrition analysis (LOAA), to benchmark two distinct small-molecule lead series using a relatively unbiased, simple technique and commercially available software. We illustrate this approach with data collected during lead optimization of two independent oncology programs as a case study. Easily generated graphics and attrition curves enabled us to calibrate progress and support go/no go decisions on each program. We believe that this data-driven technique could be used broadly by medicinal chemists and management to guide strategic decisions during drug discovery. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. NMR strategies to support medicinal chemistry workflows for primary structure determination.

    Science.gov (United States)

    Oguadinma, Paul; Bilodeau, Francois; LaPlante, Steven R

    2017-01-15

    Central to drug discovery is the correct characterization of the primary structures of compounds. In general, medicinal chemists make great synthetic and characterization efforts to deliver the intended compounds. However, there are occasions which incorrect compounds are presented, such as those reported for Bosutinib and TIC10. This may be due to a variety of reasons such as uncontrolled reaction schemes, reliance on limited characterization techniques (LC-MS and/or 1D 1H NMR spectra), or even the lack of availability or knowledge of characterization strategies. Here, we present practical NMR approaches that support medicinal chemist workflows for addressing compound characterization issues and allow for reliable primary structure determinations. These strategies serve to differentiate between regioisomers and geometric isomers, distinguish between N- versus O-alkyl analogues, and identify rotamers and atropisomers. Overall, awareness and application of these available NMR methods (e.g. HMBC/HSQC, ROESY and VT experiments, to name only a few) should help practicing chemists to reveal chemical phenomena and avoid mis-assignment of the primary structures of compounds. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. The management of clinical laboratories in Europe: a FESCC survey. Forum of the European Societies of Clinical Chemistry and Laboratory Medicine.

    Science.gov (United States)

    de Kieviet, Wim; Blaton, Victor; Kovacs, Gabor L; Palicka, Vladimir; Pulkki, Kari

    2002-03-01

    The professional duties of the specialists in clinical chemistry differ from country to country in Europe. One of the main goals of the Strategic Plan of the Forum of the European Societies of Clinical Chemistry and Laboratory Medicine (FESCC; IFCC-Europe) is to promote a high scientific and professional standard in the field of clinical chemistry and laboratory medicine in Europe. This can be stimulated by the knowledge of the local conditions in each country and by striving towards a strong and harmonised position in all the European countries. In order to enhance the knowledge of the managerial situation of the specialists in clinical chemistry in Europe, FESCC launched a survey in September 2000. This survey provides information about the position of the specialists in clinical chemistry in the various disciplines in the medical laboratories and in hospitals, and about the advisory tasks and the managerial education during the post-graduate training in clinical chemistry. Of the 35 FESCC member countries 33 have participated in the survey (94%). The results show a rather heterogeneous situation in Europe caused by the local historical developments, the differences in academic background and the relative numbers of private and physicians' office laboratories. Large differences exist between the European countries in the disciplines of laboratory medicine that are headed by a specialist in clinical chemistry. In the different countries the clinical chemistry laboratories are headed by specialists in clinical chemistry in between 20% and 100% of the laboratories. The haematology, immunology, microbiology, therapeutic drug monitoring, molecular biology and haemostasis laboratories and departments of blood banking are headed by specialists in clinical chemistry in between 0% and 100% of the laboratories. The responsibilities for the various managerial tasks of the specialists in clinical chemistry show no uniformity in Europe. In the majority of the countries the

  6. Nanoscience The Science of the Small in Physics, Engineering, Chemistry, Biology and Medicine

    CERN Document Server

    Schaefer, Hans-Eckhardt

    2010-01-01

    Nanoscience stands out for its interdisciplinarity. Barriers between disciplines disappear and the fields tend to converge at the very smallest scale, where basic principles and tools are universal. Novel properties are inherent to nanosized systems due to quantum effects and a reduction in dimensionality: nanoscience is likely to continue to revolutionize many areas of human activity, such as materials science, nanoelectronics, information processing, biotechnology and medicine. This textbook spans all fields of nanoscience, covering its basics and broad applications. After an introduction to the physical and chemical principles of nanoscience, coverage moves on to the adjacent fields of microscopy, nanoanalysis, synthesis, nanocrystals, nanowires, nanolayers, carbon nanostructures, bulk nanomaterials, nanomechanics, nanophotonics, nanofluidics, nanomagnetism, nanotechnology for computers, nanochemistry, nanobiology, and nanomedicine. Consequently, this broad yet unified coverage addresses research in academ...

  7. Carbazole Scaffold in Medicinal Chemistry and Natural Products: A Review from 2010-2015.

    Science.gov (United States)

    Tsutsumi, Lissa S; Gündisch, Daniela; Sun, Dianqing

    2016-01-01

    9H-carbazole is an aromatic molecule that is tricyclic in nature, with two benzene rings fused onto a 5-membered pyrrole ring. Obtained from natural sources or by synthetic routes, this scaffold has gained much interest due to its wide range of biological activity upon modifications, including antibacterial, antimalarial, anticancer, and anti-Alzheimer properties. This review reports a survey of the literature on carbazole-containing molecules and their medicinal activities from 2010 through 2015. In particular, we focus on their in vitro and in vivo activities and summarize structure-activity relationships (SAR), mechanisms of action, and/or cytotoxicity/selectivity findings when available to provide future guidance for the development of clinically useful agents from this template.

  8. The Medicinal Chemistry of Natural and Semisynthetic Compounds against Parkinson's and Huntington's Diseases.

    Science.gov (United States)

    Zanforlin, Enrico; Zagotto, Giuseppe; Ribaudo, Giovanni

    2017-11-15

    Among the diseases affecting the central nervous system (CNS), neurodegenerations attract the interest of both the clinician and the medicinal chemist. The increasing average age of population, the growing number of patients, and the lack of long-term effective remedies push ahead the quest for novel tools against this class of pathologies. We present a review on the state of the art of the molecules (or combination of molecules) of natural origin that are currently under study against two well-defined pathologies: Parkinson's disease (PD) and Huntington's disease (HD). Nowadays, very few tools are available for preventing or counteracting the progression of such diseases. Two major parameters were considered for the preparation of this review: particular attention was reserved to these research works presenting well-defined molecular mechanisms for the studied compounds, and where available, papers reporting in vivo data were preferred. A literature search for peer-reviewed articles using PubMed, Scopus, and Reaxys databases was performed, exploiting different keywords and logical operators: 91 papers were considered (preferentially published after 2015). The review presents a brief overview on the etiology of the studied neurodegenerations and the current treatments, followed by a detailed discussion of the natural and semisynthetic compounds dividing them in different paragraphs considering their several mechanisms of action.

  9. [Research on resources chemistry of Chinese medicinal materials and resources recycling utilization ways and goals and tasks].

    Science.gov (United States)

    Duan, Jin-ao; Su, Shu-lan; Guo, Sheng; Jiang, Shu; Liu, Pei; Yan, Hui; Qian, Da-wei; Zhu, Hua-xu; Tang, Yu-ping; Wu, Qi-nan

    2015-09-01

    The objects of research on the resources chemistry of Chinese medicinal materials (RCCMM) are promotion of efficient production, rational utilization and improving quality of CMM and natural products. The development of TCM cause depends on the efficient utilization and sustainable development of CMM, hinges on the technologies and methods for using and discovering medicinal biological resources, stand or fall on the extension of industy chains, detailed utilizaion of resource chemical components by multi-way, multi-level. All of these may help to the recycling utilization and sound development of RCMM. In this article, five respects were discussed to the RCCMM researches and resources recycling utilization ways and goals and tasks. First, based on the principle of resource scarcity, discovering or replacing CMM resources, protecting the rare or endangered species or resources. Second, based on the multifunctionality of CMM, realizing the value-added and value compensation, and promoting the utilization efficiency through systermatic and detailed exploitation and utilization. Third, based on the resource conservation and environment-friendly, reducing raw material consumption, lowering cost, promoting recycling utilization and elevating utilization efficiency. Fourth, based on the stratege of turning harm into good, using the invasive alien biological resources by multi-ways and enriching the medicial resources. Fifth, based on the method of structure modification of chemical components, exploring and enhancing the utility value of resouces chemical substances. These data should provide references and attention for improving the utilization efficiency, promoting the development of recycling economy, and changing the mode of economic growth of agriculture and industry of CMM fundamentally.

  10. HPLC-DAD-ELSD Combined Pharmacodynamics and Serum Medicinal Chemistry for Quality Assessment of Huangqi Granule.

    Directory of Open Access Journals (Sweden)

    Huaguo Chen

    Full Text Available To more scientifically and reasonably control the quality of Huangqi Granules, preliminary studies on the pharmacodynamics and serum pharmacochemistry of this medicine were performed. DPPH and MTT experiments showed that water extracts of Huangqi Granules had good antioxidant activity and increased immunity. Timed blood samples collected 5 min, 15 min, and 30 min after oral administration of a set amount of Huangqi Granules were collected and tested using UPLC-ESI-MS/MS. As a result, calycosin-7-O-β-D-glucoside, ononin, calycosin, astragaloside IV, and formononetin were found to exist in rat blood after dosing, indicating that the five chemical compounds might have pharmacological activity, and based on this result, they were designated biomarkers for quality control of Huangqi Granules. Consequently, a simple, rapid and efficient method was developed in the present study for the simultaneous determination of the five characteristic compounds in Huangqi Granules using HPLC-DAD-ELSD.The separation was performed using an Agilent Hypersil ODS column (4.6 × 250 mm, 5 μm at 30 ℃. The mobile phase was composed of water (solvent A and acetonitrile (solvent B with a flow rate of 1 mL/min. The drift tube temperature of the ELSD system was set to 85 ℃, and the nitrogen pressure was 3.5 bar.All five characteristic compounds had good linear behavior with r2 values greater than 0.9972. The recoveries varied from 96.31% to 101.22%. Subsequently, the developed method was applied to evaluate the quality of Huangqi Granules from different batches, and hierarchical clustering analysis (HCA was used to analyze the classification of the samples based on the values of the five compounds.The established HPLC method combined with HCA proved to be effective to evaluate the quality of Huangqi Granules.

  11. Serotonin 5-HT3 and 5-HT4 ligands: an update of medicinal chemistry research in the last few years.

    Science.gov (United States)

    Modica, M N; Pittalà, V; Romeo, G; Salerno, L; Siracusa, M A

    2010-01-01

    The biogenic amine serotonin (5-hydroxytryptamine, 5-HT) is one of the most studied neurotransmitters in the central nervous system. It acts through the activation of at least fourteen 5-HT receptor subtypes. Over the last two decades, high attention was devoted to the 5-HT(3) and 5-HT(4) receptors due to their colocalization in the gastrointestinal tract and because their ligands are useful in the treatment of intestinal serotonergic system dysfunctions. The focus of this review is to discuss the literature concerning recent advances on 5-HT(3)R and 5-HT(4)R ligands and their structure-activity relationships from a medicinal chemistry perspective. During the last few years, new and significant progresses have been made in the field of novel potent and selective ligands, mixed ligands, agonists, partial agonists, and antagonists, and a number of patents have been filed. Furthermore several ligands targeting the 5-HT(3)R and 5-HT(4)R have been proposed for novel therapeutic indications such as the treatment of various psychiatric disorders.

  12. Chirality as a tool in nucleic acid recognition: principles and relevance in biotechnology and in medicinal chemistry.

    Science.gov (United States)

    Corradini, Roberto; Sforza, Stefano; Tedeschi, Tullia; Marchelli, Rosangela

    2007-05-05

    The understanding of the interaction of chiral species with DNA or RNA is very important for the development of new tools in biology and of new drugs. Several cases in which chirality is a crucial point in determining the DNA binding mode are reviewed and discussed, with the aim of illustrating how chirality can be considered as a tool for improving the understanding of mechanisms and the effectiveness of nucleic acid recognition. The review is divided into two parts: the former describes examples of chiral species interacting with DNA: intercalators, metal complexes, and groove binders; the latter part is dedicated to chirality in DNA analogs, with discussion of phosphate stereochemistry and chirality of ribose substitutes, in particular of peptide nucleic acids (PNAs) for which a number of works have been published recently dealing with the effect of chirality in DNA recognition. The discussion is intended to show how enantiomeric recognition originates at the molecular level, by exploiting the enormous progresses recently achieved in the field of structural characterization of complexes formed by nucleic acid with their ligands by crystallographic and spectroscopic methods. Examples of application of the DNA binding molecules described and the role of chirality in DNA recognition relevant for biotechnology or medicinal chemistry are reported. (c) 2007 Wiley-Liss, Inc.

  13. Exploiting polypharmacology for improving therapeutic outcome of kinase inhibitors (KIs): An update of recent medicinal chemistry efforts.

    Science.gov (United States)

    Ma, Xiaodong; Lv, Xiaoqing; Zhang, Jiankang

    2018-01-01

    Polypharmacology has been increasingly advocated for the therapeutic intervention in complex pathological conditions, exemplified by cancer. Although kinase inhibitors (KIs) have revolutionized the treatment for certain types of malignancies, some major medical needs remain unmet due to the relentless advance of drug resistance and insufficient efficacy of mono-target KIs. Hence, "multiple targets, multi-dimensional activities" represents an emerging paradigm for innovative anti-cancer drug discovery. Over recent years, considerable leaps have been made in pursuit of kinase-centric polypharmacological anti-cancer therapeutics, providing avenues to tackling the limitation of mono-target KIs. In the review, we summarize the clinically important mechanisms inducing KI resistance and depict a landscape of recent medicinal chemistry efforts on exploring kinase-centric polypharmacological anti-cancer agents that targeting multiple cancer-related processes. In parallel, some inevitable challenges are emphasized for the sake of more accurate and efficient drug discovery in the field. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  14. Follow up: Compound data sets and software tools for chemoinformatics and medicinal chemistry applications: update and data transfer

    Science.gov (United States)

    Hu, Ye; Bajorath, Jürgen

    2014-01-01

    In 2012, we reported 30 compound data sets and/or programs developed in our laboratory in a data article and made them freely available to the scientific community to support chemoinformatics and computational medicinal chemistry applications. These data sets and computational tools were provided for download from our website. Since publication of this data article, we have generated 13 new data sets with which we further extend our collection of publicly available data and tools. Due to changes in web servers and website architectures, data accessibility has recently been limited at times. Therefore, we have also transferred our data sets and tools to a public repository to ensure full and stable accessibility. To aid in data selection, we have classified the data sets according to scientific subject areas. Herein, we describe new data sets, introduce the data organization scheme, summarize the database content and provide detailed access information in ZENODO (doi: 10.5281/zenodo.8451 and doi:10.5281/zenodo.8455). PMID:25520777

  15. Between chemistry, medicine and leisure: Antonio Casares and the study of mineral waters and Spanish spas in the nineteenth century.

    Science.gov (United States)

    Suay-Matallana, Ignacio

    2016-07-01

    This article considers how chemical analyses were employed not only to study and describe mineral waters, but also to promote new spas, and to reinforce the scientific authority of experts. Scientists, jointly with bath owners, visitors and local authorities, created a significant spa market by transforming rural spaces into social and economic sites. The paper analyses the role developed by the chemist Antonio Casares in the commodification of mineral water in mid-19(th) century Spain. His scientific publications and water analyses put a new economic value on some Spanish mineral waters and rural springs. First the paper explores the relationship between geographic factors, regulation, and spa development in 19(th) century Spain, and considers how scientific work improved the economy of some rural areas. Then the transformation of numerous country springs into spas, and the commodification of baths as places between science and leisure is examined. Finally the location of spas across the borders of medicine and chemistry is shown, together with the complex field operations required to study mineral waters. This paper reveals an intense circulation of knowledge between the field, laboratories and scientific publications, as well as the essential role developed by experts like Casares, who not only contributed to the study of rural springs but also to their economic transformation.

  16. [Consideration about chemistry, manufacture and control (CMC) key problems in simplified registration of classical traditional Chinese medicine excellent prescriptions].

    Science.gov (United States)

    Wang, Zhi-Min; Liu, Ju-Yan; Liu, Xiao-Qian; Wang, De-Qin; Yan, Li-Hua; Zhu, Jin-Jin; Gao, Hui-Min; Li, Chun; Wang, Jin-Yu; Li, Chu-Yuan; Ni, Qing-Chun; Huang, Ji-Sheng; Lin, Juan

    2017-05-01

    As an outstanding representative of traditional Chinese medicine(TCM) prescriptions accumulated from famous TCM doctors' clinical experiences in past dynasties, classical TCM excellent prescriptions (cTCMeP) are the most valuable part of TCM system. To support the research and development of cTCMeP, a series of regulations and measures were issued to encourage its simplified registration. There is still a long-way to go because many key problems and puzzles about technology, registration and administration in cTCMeP R&D process are not resolved. Based on the analysis of registration and management regulations of botanical drug products in FDA of USA and Japan, and EMA of Europe, the possible key problems and countermeasures in chemistry, manufacture and control (CMC) of simplified registration of cTCMeP were analyzed on the consideration of its actual situation. The method of "reference decoction extract by traditional prescription" (RDETP) was firstly proposed as standard to evaluate the quality and preparation uniformity between the new developing product under simplified registration and traditional original usages of cTCMeP, instead of Standard Decoction method in Japan. "Totality of the evidence" approach, mass balance and bioassay/biological assay of cTCMeP were emphatically suggested to introduce to the quality uniformity evaluation system in the raw drug material, drug substance and final product between the modern product and traditional decoction. Copyright© by the Chinese Pharmaceutical Association.

  17. Medicinal Chemistry of the Anti-Diabetic Effects of Momordica Charantia: Active Constituents and Modes of Actions

    Science.gov (United States)

    Singh, Jaipaul; Cumming, Emmanuel; Manoharan, Gunasekar; Kalasz, Huba; Adeghate, Ernest

    2011-01-01

    medicinal chemistry and use(s) of M. charantia and its various extracts and compounds, their biochemical properties and how they act as anti-diabetic (hypoglycemic) drugs and the various mechanisms by which they exert their beneficial effects in controlling and treating DM. PMID:21966327

  18. Recent developments regarding the use of thieno[2,3-d]pyrimidin-4-one derivatives in medicinal chemistry, with a focus on their synthesis and anticancer properties.

    Science.gov (United States)

    Bozorov, Khurshed; Zhao, Jiang-Yu; Elmuradov, Burkhon; Pataer, Apar; Aisa, Haji A

    2015-09-18

    It is generally understood that the antitumor properties of synthetic heterocyclic compounds are among the most powerful properties that can be made use in medicinal chemistry. More specifically, their substantial cytotoxic effects against different types of human tumor cells, in addition to their roles as enzymes or receptors for various kinase inhibitors, make them critically important. In recent years, thieno[2,3-d]pyrimidin-4-one derivatives (TPs), which are analogs of quinazoline alkaloids, have frequently attracted the interest of medicinal chemistry researchers due to their promising anticancer properties. The present study is a review of the latest advances (i.e., since 2006) in TP derivative-related research, with a focus on how such derivatives are synthesized and on their anticancer activities. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  19. Students' perception of an integrated approach of teaching entire sequence of medicinal chemistry, pharmacology, and pharmacotherapeutics courses in PharmD curriculum.

    Science.gov (United States)

    Islam, Mohammed A; Schweiger, Teresa A

    2015-04-01

    To develop an integrated approach of teaching medicinal chemistry, pharmacology, and pharmacotherapeutics and to evaluate students' perceptions of integration as they progress through the PharmD curriculum. Instructors from each discipline jointly mapped the course contents and sequenced the course delivery based on organ systems/disease states. Medicinal chemistry and pharmacology contents were integrated and aligned with respective pharmacotherapeutics contents to deliver throughout second and third year of the curriculum. In addition to classroom lectures, active learning strategies such as recitation, case studies, online-discussion boards, open book quizzes, and writing patient progress notes were incorporated to enhance student learning. Student learning was assessed by examination scores, patient progress notes, and writing assignments. The impact of course integration was evaluated by a Web-based survey. One hundred and sixty-nine students completed the survey. Students exhibited positive attitude toward the integrated approach of teaching medicinal chemistry, pharmacology, and therapeutics. The P3 and P4 students better appreciated the benefits of integration compared to P2 students (P < .05). Students perceived the course integration as an effective way of learning. This study supports course improvement and the viability of expanding the concept of integration to other courses in the curriculum. © The Author(s) 2014.

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

    Science.gov (United States)

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

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

  1. Drill-hole data, drill-site geology, and geochemical data from the study of Precambrian uraniferous conglomerates of the Medicine Bow Mountains and Sierra Madre of southeastern Wyoming

    International Nuclear Information System (INIS)

    Karlstrom, K.E.; Houston, R.S.; Schmidt, T.G.; Inlow, D.; Flurkey, A.J.; Kratochvil, A.L.; Coolidge, C.M.; Sever, C.K.; Quimby, W.F.

    1981-02-01

    This volume is presented as a companion to Volume 1: The Geology and Uranium Potential of Precambrian Conglomerates in the Medicine Bow Mountains and Sierra Madre of Southeastern Wyoming; and to Volume 3: Uranium Assessment for Precambrian Pebble Conglomerates in Southeastern Wyoming. Volume 1 summarized the geologic setting and geologic and geochemical characteristics of uranium-bearing conglomerates in Precambrian metasedimentary rocks of southeastern Wyoming. Volume 3 is a geostatistical resource estimate of U and Th in quartz-pebble conglomerates. This volume contains supporting geochemical data, lithologic logs from 48 drill holes in Precambrian rocks of the Medicine Bow Mountains and Sierra Madre, and drill site geologic maps and cross-sections from most of the holes

  2. Drill-hole data, drill-site geology, and geochemical data from the study of Precambrian uraniferous conglomerates of the Medicine Bow Mountains and Sierra Madre of southeastern Wyoming

    Energy Technology Data Exchange (ETDEWEB)

    Karlstrom, K.E.; Houston, R.S.; Schmidt, T.G.; Inlow, D.; Flurkey, A.J.; Kratochvil, A.L.; Coolidge, C.M.; Sever, C.K.; Quimby, W.F.

    1981-02-01

    This volume is presented as a companion to Volume 1: The Geology and Uranium Potential of Precambrian Conglomerates in the Medicine Bow Mountains and Sierra Madre of Southeastern Wyoming; and to Volume 3: Uranium Assessment for Precambrian Pebble Conglomerates in Southeastern Wyoming. Volume 1 summarized the geologic setting and geologic and geochemical characteristics of uranium-bearing conglomerates in Precambrian metasedimentary rocks of southeastern Wyoming. Volume 3 is a geostatistical resource estimate of U and Th in quartz-pebble conglomerates. This volume contains supporting geochemical data, lithologic logs from 48 drill holes in Precambrian rocks of the Medicine Bow Mountains and Sierra Madre, and drill site geologic maps and cross-sections from most of the holes.

  3. História da química e da geologia: Joseph Black e James Hutton como referências para educação em ciências History of chemistry and geology: Joseph Black and James Hutton as references for science education

    Directory of Open Access Journals (Sweden)

    Natalina Aparecida L. Sicca

    2002-07-01

    Full Text Available The second half of eighteenth century is marked by the advancement of chemistry and geology. The first science acquired the law of conservation of mass and this science represented a important support to geology and mineralogy. We say that both became modern science that time. Our aim is to show up some interrelations between history of chemistry and history of geology by means of the study of Joseph Black's and James Hutton's works. We defend that it is positive to science education to understand and approach the relations among different and disciplinary areas of science.

  4. 26th National Medicinal Chemistry Symposium--Developments in chemokines, carbohydrates, p53 and drug metabolism. 14-18 June 1998, Richmond, Virginia, USA.

    Science.gov (United States)

    Swords, B

    1998-08-01

    This symposium, organized by the American Chemical Society, is held every two years. This year's meeting, sponsored by the ACS and The Virginia Commonwealth University, was attended by approximately 300 delegates and covered developments in chemokines, carbohydrates, p53, drug metabolism, prodrugs, structure-based design and molecular modeling. At the opening ceremony, John Topliss began by paying tribute to the distinguished medicinal chemistry career of Alfred Burger (University of Virginia, USA). He then reviewed the application of physicochemical principles to drug design, including the development and application of quantitative structure-activity relationship methodology.

  5. The role of European Federation of Clinical Chemistry and Laboratory Medicine Working Group for Preanalytical Phase in standardization and harmonization of the preanalytical phase in Europe

    DEFF Research Database (Denmark)

    Cornes, Michael P; Church, Stephen; van Dongen-Lases, Edmée

    2016-01-01

    Patient safety is a leading challenge in healthcare and from the laboratory perspective it is now well established that preanalytical errors are the major contributor to the overall rate of diagnostic and therapeutic errors. To address this, the European Federation of Clinical Chemistry and Labor......Patient safety is a leading challenge in healthcare and from the laboratory perspective it is now well established that preanalytical errors are the major contributor to the overall rate of diagnostic and therapeutic errors. To address this, the European Federation of Clinical Chemistry...... and Laboratory Medicine Working Group for Preanalytical Phase (EFLM WG-PRE) was established to lead in standardization and harmonization of preanalytical policies and practices at a European level. One of the key activities of the WG-PRE is the organization of the biennial EFLM-BD conference on the preanalytical...... summarises the work that has and will be done in these areas. The goal of this initiative is to ensure the EFLM WG-PRE produces work that meets the needs of the European laboratory medicine community. Progress made in the identified areas will be updated at the next preanalytical phase conference and show...

  6. Drug Synthesis and Analysis on a Dime: A Capstone Medicinal Chemistry Experience for the Undergraduate Biochemistry Laboratory

    Science.gov (United States)

    Streu, Craig N.; Reif, Randall D.; Neiles, Kelly Y.; Schech, Amanda J.; Mertz, Pamela S.

    2016-01-01

    Integrative, research-based experiences have shown tremendous potential as effective pedagogical approaches. Pharmaceutical development is an exciting field that draws heavily on organic chemistry and biochemistry techniques. A capstone drug synthesis/analysis laboratory is described where biochemistry students synthesize azo-stilbenoid compounds…

  7. Frontiers in Gold Chemistry

    OpenAIRE

    Ahmed A. Mohamed

    2015-01-01

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

  8. Green chemistry: A tool in Pharmaceutical Chemistry

    OpenAIRE

    Smita Talaviya; Falguni Majumdar

    2012-01-01

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

  9. [The effects of the success of the synthesis of Stovaïne in science and industry. Ernest Fourneau (1872-1949) and the transformation of the field of medicinal chemistry in France].

    Science.gov (United States)

    Debue-Barazer, Christine

    2007-01-01

    The synthetic local anaesthetic Stovaine was commercialised in France in 1904. Its inventor, Ernest Fourneau, began his career as a pharmaceutical chemist in organic chemistry laboratories in Germany, where from 1899 to 1901 he discovered how basic research could benefit from the modern chemistry theories which had developed in Germany starting in the 1860s. Using the complex structure of cocaine, he invented an original molecule, with comparable activity, but less toxic. The knowledge and the know-how which he acquired in Germany nourished his reflection in the field of the chemistry of the relationships between structure and activity, and led him to the development of Stovaïne. Emile Roux, Director of the Pasteur Institute in Paris, was interested in his work and invited him to head the first French therapeutic chemistry laboratory, in which research on medicinal chemistry was organised scientifically. The industrial development of new medicines resulting from the Pasteur Institute's therapeutic chemistry laboratory was supported by the Etablissements Poulenc frères, France thus gaining international reputation in the domain of pharmaceutical chemistry.

  10. TEACHING 'NATURAL PRODUCT CHEMISTRY' IN TANZANIA

    African Journals Online (AJOL)

    Temechegn

    cultural differences to chemistry learning was highlighted in a Chemistry Education ... knowledge has been blended into the course are discussed. .... was given for Traditional African Medicine (TAM): “Traditional African medicine is a.

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

    NARCIS (Netherlands)

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

    2011-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Ye Hu

    2014-02-01

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

  13. The European Federation of Clinical Chemistry and Laboratory Medicine syllabus for postgraduate education and training for Specialists in Laboratory Medicine: version 5 - 2018.

    Science.gov (United States)

    Jassam, Nuthar; Lake, Jennifer; Dabrowska, Milena; Queralto, Jose; Rizos, Demetrios; Lichtinghagen, Ralf; Baum, Hannsjörg; Ceriotti, Ferruccio; O'Mullane, John; Homšak, Evgenija; Charilaou, Charis; Ohlson, Mats; Rako, Ivana; Vitkus, Dalius; Kovac, Gustav; Verschuure, Pauline; Racek, Jaroslav; Chifiriuc, Mariana Carmen; Wieringa, Gilbert

    2018-06-05

    Although laboratory medicine practise varies across the European Union's (EU) member states, the extent of overlap in scope is such that a common syllabus describing the education and training associated with high-quality, specialist practise can be identified. In turn, such a syllabus can help define the common set of skills, knowledge and competence in a Common Training Framework (CTF) for non-medical Specialists in Laboratory Medicine under EU Directive 2013/55/EU (The recognition of Professional Qualifications). In meeting the requirements of the directive's CTF patient safety is particularly enhanced when specialists seek to capitalise on opportunities for free professional migration across EU borders. In updating the fourth syllabus, the fifth expands on individual discipline requirements, new analytical techniques and use of statistics. An outline structure for a training programme is proposed together with expected responsibilities of trainees and trainers; reference is provided to a trainee's log book. In updating the syllabus, it continues to support national programmes and the aims of EU Directive 2013/55/EU in providing safeguards to professional mobility across European borders at a time when the demand for highly qualified professionals is increasing in the face of a disparity in their distribution across Europe. In support of achieving a CTF, the syllabus represents EFLM's position statement for the education and training that underpins the framework.

  14. From fundamental supramolecular chemistry to self-assembled nanomaterials and medicines and back again - how Sam inspired SAMul.

    Science.gov (United States)

    Smith, David K

    2018-05-08

    This feature article provides a personal insight into the research from my group over the past 10 years. In particular, the article explains how, inspired in 2005 by meeting my now-husband, Sam, who had cystic fibrosis, and who in 2011 went on to have a double lung transplant, I took an active decision to follow a more applied approach to some of our research, attempting to use fundamental supramolecular chemistry to address problems of medical interest. In particular, our strategy uses self-assembly to fabricate biologically-active nanosystems from simple low-molecular-weight building blocks. These systems can bind biological polyanions in highly competitive conditions, allowing us to approach applications in gene delivery and coagulation control. In the process, however, we have also developed new fundamental principles such as self-assembled multivalency (SAMul), temporary 'on-off' multivalency, and adaptive/shape-persistent multivalent binding. By targeting materials with applications in drug formulation and tissue engineering, we have discovered novel self-assembling low-molecular-weight hydrogelators based on the industrially-relevant dibenzylidenesorbitol framework and developed innovative approaches to spatially-resolved gels and functional multicomponent hybrid hydrogels. In this way, taking an application-led approach to research has also delivered significant academic value and conceptual advances. Furthermore, beginning to translate fundamental supramolecular chemistry into real-world applications, starts to demonstrate the power of this approach, and its potential to transform the world around us for the better.

  15. Compliance of blood sampling procedures with the CLSI H3-A6 guidelines: An observational study by the European Federation of Clinical Chemistry and Laboratory Medicine (EFLM) working group for the preanalytical phase (WG-PRE)

    NARCIS (Netherlands)

    Simundic, Ana-Maria; Church, Stephen; Cornes, Michael P.; Grankvist, Kjell; Lippi, Giuseppe; Nybo, Mads; Nikolac, Nora; van Dongen-Lases, Edmee; Eker, Pinar; Kovalevskaya, Svjetlana; Kristensen, Gunn B. B.; Sprongl, Ludek; Sumarac, Zorica

    2015-01-01

    Abstract Background: An observational study was conducted in 12 European countries by the European Federation of Clinical Chemistry and Laboratory Medicine Working Group for the Preanalytical Phase (EFLM WG-PRE) to assess the level of compliance with the CLSI H3-A6 guidelines. Methods: A structured

  16. The medicinal chemistry and neuropharmacology of kratom: A preliminary discussion of a promising medicinal plant and analysis of its potential for abuse.

    Science.gov (United States)

    Kruegel, Andrew C; Grundmann, Oliver

    2017-08-19

    The leaves of Mitragyna speciosa (commonly known as kratom), a tree endogenous to parts of Southeast Asia, have been used traditionally for their stimulant, mood-elevating, and analgesic effects and have recently attracted significant attention due to increased use in Western cultures as an alternative medicine. The plant's active alkaloid constituents, mitragynine and 7-hydroxymitragynine, have been shown to modulate opioid receptors, acting as partial agonists at mu-opioid receptors and competitive antagonists at kappa- and delta-opioid receptors. Furthermore, both alkaloids are G protein-biased agonists of the mu-opioid receptor and therefore, may induce less respiratory depression than classical opioid agonists. The Mitragyna alkaloids also appear to exert diverse activities at other brain receptors (including adrenergic, serotonergic, and dopaminergic receptors), which may explain the complex pharmacological profile of raw kratom extracts, although characterization of effects at these other targets remains extremely limited. Through allometric scaling, doses of pure mitragynine and 7-hydroxymitragynine used in animal studies can be related to single doses of raw kratom plant commonly consumed by humans, permitting preliminary interpretation of expected behavioral and physiological effects in man based on this preclinical data and comparison to both anecdotal human experience and multiple epidemiological surveys. Kratom exposure alone has not been causally associated with human fatalities to date. However, further research is needed to clarify the complex mechanism of action of the Mitragyna alkaloids and unlock their full therapeutic potential. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Migration chemistry and behaviour of iodine relevant to geological disposal of radioactive wastes. A literature review with a compilation of sorption data

    International Nuclear Information System (INIS)

    Liu, Y.; Gunten, H.R. von

    1988-09-01

    This report reviews the literature on iodine migration, chemistry and behaviour in the environment up to November 1987. It deals mainly with 129 I released from a land repository, with particular consideration of the Swiss scenario for the disposal of low- and medium-level radioactive waste. As a background to this review, the basic properties of radioiodine, its distribution, circulation in nature and radiological impact are presented. A large number of sorption and diffusion data for iodine on rocks, sediments, minerals, cements and other materials have been compiled from many different laboratories. Based on this information, an assessment of the sorption and retardation of radioiodine in geomedia is made and methodologies for obtaining sorption distribution ratios (R D values) are discussed. The review also covers natural analogue studies of 129 I, retardation of iodine by cement barriers and the possible influences of organic compounds and microorganisms on the behaviour of iodine. Some possibilities for further research on diffusion measurements and near-field chemistry of radioiodine are outlined. (author) 259 refs., 9 figs., 32 tabs

  18. Do morphometric parameters and geological conditions determine chemistry of glacier surface ice? Spatial distribution of contaminants present in the surface ice of Spitsbergen glaciers (European Arctic).

    Science.gov (United States)

    Lehmann, Sara; Gajek, Grzegorz; Chmiel, Stanisław; Polkowska, Żaneta

    2016-12-01

    The chemism of the glaciers is strongly determined by long-distance transport of chemical substances and their wet and dry deposition on the glacier surface. This paper concerns spatial distribution of metals, ions, and dissolved organic carbon, as well as the differentiation of physicochemical parameters (pH, electrical conductivity) determined in ice surface samples collected from four Arctic glaciers during the summer season in 2012. The studied glaciers represent three different morphological types: ground based (Blomlibreen and Scottbreen), tidewater which evolved to ground based (Renardbreen), and typical tidewater glacier (Recherchebreen). All of the glaciers are functioning as a glacial system and hence are subject to the same physical processes (melting, freezing) and the process of ice flowing resulting from the cross-impact force of gravity and topographic conditions. According to this hypothesis, the article discusses the correlation between morphometric parameters, changes in mass balance, geological characteristics of the glaciers and the spatial distribution of analytes on the surface of ice. A strong correlation (r = 0.63) is recorded between the aspect of glaciers and values of pH and ions, whereas dissolved organic carbon (DOC) depends on the minimum elevation of glaciers (r = 0.55) and most probably also on the development of the accumulation area. The obtained results suggest that although certain morphometric parameters largely determine the spatial distribution of analytes, also the geology of the bed of glaciers strongly affects the chemism of the surface ice of glaciers in the phase of strong recession.

  19. Standardization of clinical enzyme analysis using frozen human serum pools with values assigned by the International Federation of Clinical Chemistry and Laboratory Medicine reference measurement procedures.

    Science.gov (United States)

    Tong, Qing; Chen, Baorong; Zhang, Rui; Zuo, Chang

    Variation in clinical enzyme analysis, particularly across different measuring systems and laboratories, represents a critical but long-lasting problem in diagnosis. Calibrators with traceability and commutability are imminently needed to harmonize analysis in laboratory medicine. Fresh frozen human serum pools were assigned values for alanine aminotransferase (ALT), aspartate aminotransferase (AST), gamma-glutamyltransferase (GGT), creatine kinase (CK) and lactate dehydrogenase (LDH) by six laboratories with established International Federation of Clinical Chemistry and Laboratory Medicine reference measurement procedures. These serum pools were then used across 76 laboratories as a calibrator in the analysis of five enzymes. Bias and imprecision in the measurement of the five enzymes tested were significantly reduced by using the value-assigned serum in analytical systems with open and single-point calibration. The median (interquartile range) of the relative biases of ALT, AST, GGT, CK and LDH were 2.0% (0.6-3.4%), 0.8% (-0.8-2.3%), 1.0% (-0.5-2.0%), 0.2% (-0.3-1.0%) and 0.2% (-0.9-1.1%), respectively. Before calibration, the interlaboratory coefficients of variation (CVs) in the analysis of patient serum samples were 8.0-8.2%, 7.3-8.5%, 8.1-8.7%, 5.1-5.9% and 5.8-6.4% for ALT, AST, GGT, CK and LDH, respectively; after calibration, the CVs decreased to 2.7-3.3%, 3.0-3.6%, 1.6-2.1%, 1.8-1.9% and 3.3-3.5%, respectively. The results suggest that the use of fresh frozen serum pools significantly improved the comparability of test results in analytical systems with open and single-point calibration.

  20. A three-year study of the impact of instructor attitude, enthusiasm, and teaching style on student learning in a medicinal chemistry course.

    Science.gov (United States)

    Alsharif, Naser Z; Qi, Yongyue

    2014-09-15

    To determine the effect of instructor attitude, enthusiasm, and teaching style on learning for distance and campus pharmacy students. Over a 3-year period, distance and campus students enrolled in the spring semester of a medicinal chemistry course were asked to complete a survey instrument with questions related to instructor attitude, enthusiasm, and teaching style, as well as items to measure student intrinsic motivation and vitality. More positive responses were observed among distance students and older students. Gender did not impact student perspectives on 25 of the 26 survey questions. Student-related items were significantly correlated with instructor-related items. Also, student-related items and second-year cumulative grade point average were predictive of students' final course grades. Instructor enthusiasm demonstrated the highest correlation with student intrinsic motivation and vitality. While this study addresses the importance of content mastery and instructional methodologies, it focuses on issues related to instructor attitude, instructor enthusiasm, and teaching style, which all play a critical role in the learning process. Thus, instructors have a responsibility to evaluate, reevaluate, and analyze the above factors to address any related issues that impact the learning process, including their influence on professional students' intrinsic motivation and vitality, and ability to meet educational outcomes.

  1. Mass spectrometry. Environment, biology, oenology, medicine, geology, chemistry, archaeology, mechanisms; Spectrometrie de masse. Environnement, biologie, oenologie, medecine, geologie, chimie, archeologie, mecanismes

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-07-01

    This document provides the papers (communications and posters) presented at the 16. French days of mass spectrometry, held September 6-9, 1999 in Nancy, France. 7 papers are interesting for the ETDE database and are analyzed separately. (O.M.)

  2. Mass spectrometry. Environment, biology, oenology, medicine, geology, chemistry, archaeology, mechanisms; Spectrometrie de masse. Environnement, biologie, oenologie, medecine, geologie, chimie, archeologie, mecanismes

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-07-01

    This document provides the papers (communications and posters) presented at the 16. French days of mass spectrometry, held September 6-9, 1999 in Nancy, France. 5 papers are interesting for the INIS database and are analyzed separately. (O.M.)

  3. 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

  4. Advances in quantum chemistry

    CERN Document Server

    Sabin, John R

    2013-01-01

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

  5. Effective Chemistry Communication in Informal Environments

    Science.gov (United States)

    National Academies Press, 2016

    2016-01-01

    Chemistry plays a critical role in daily life, impacting areas such as medicine and health, consumer products, energy production, the ecosystem, and many other areas. Communicating about chemistry in informal environments has the potential to raise public interest and understanding of chemistry around the world. However, the chemistry community…

  6. Geologic Time.

    Science.gov (United States)

    Newman, William L.

    One of a series of general interest publications on science topics, the booklet provides those interested in geologic time with an introduction to the subject. Separate sections discuss the relative time scale, major divisions in geologic time, index fossils used as guides for telling the age of rocks, the atomic scale, and the age of the earth.…

  7. Historical foundations of chemical geology and geochemistry

    NARCIS (Netherlands)

    Manten, A.A.

    1966-01-01

    Roughly, the name chemical geology has been used for as long as chemistry has been applied in geology; the name geochemistry was introduced by Schönbein, in 1838. Whereas initially the names were often regarded as synonymous, in our century there is a tendency to make a distinction between the two

  8. 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)

  9. Bad chemistry

    OpenAIRE

    Petsko, Gregory A

    2004-01-01

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

  10. Improving quality in the preanalytical phase through innovation, on behalf of the European Federation for Clinical Chemistry and Laboratory Medicine (EFLM) Working Group for Preanalytical Phase (WG-PRE)

    DEFF Research Database (Denmark)

    Lippi, Giuseppe; Baird, Geoffrey S.; Banfi, Giuseppe

    2017-01-01

    process remain, especially in the preanalytical phase ranging from test ordering to obtaining and managing the biological specimens. The Working Group for the Preanalytical Phase (WG-PRE) of the European Federation of Clinical Chemistry and Laboratory Medicine (EFLM) has planned many activities aimed...... at mitigating the vulnerability of the preanalytical phase, including the organization of three European meetings in the past 7 years. Hence, this collective article follows the previous three opinion papers that were published by the EFLM WGPRE on the same topic, and brings together the summaries...

  11. Destination: Geology?

    Science.gov (United States)

    Price, Louise

    2016-04-01

    "While we teach, we learn" (Roman philosopher Seneca) One of the most beneficial ways to remember a theory or concept is to explain it to someone else. The offer of fieldwork and visits to exciting destinations is arguably the easiest way to spark a students' interest in any subject. Geology at A-Level (age 16-18) in the United Kingdom incorporates significant elements of field studies into the curriculum with many students choosing the subject on this basis and it being a key factor in consolidating student knowledge and understanding. Geology maintains a healthy annual enrollment with interest in the subject increasing in recent years. However, it is important for educators not to loose sight of the importance of recruitment and retention of students. Recent flexibility in the subject content of the UK curriculum in secondary schools has provided an opportunity to teach the basic principles of the subject to our younger students and fieldwork provides a valuable opportunity to engage with these students in the promotion of the subject. Promotion of the subject is typically devolved to senior students at Hessle High School and Sixth Form College, drawing on their personal experiences to engage younger students. Prospective students are excited to learn from a guest speaker, so why not use our most senior students to engage and promote the subject rather than their normal subject teacher? A-Level geology students embarking on fieldwork abroad, understand their additional responsibility to promote the subject and share their understanding of the field visit. They will typically produce a series of lessons and activities for younger students using their newly acquired knowledge. Senior students also present to whole year groups in seminars, sharing knowledge of the location's geology and raising awareness of the exciting destinations offered by geology. Geology fieldwork is always planned, organised and led by the member of staff to keep costs low, with recent visits

  12. 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.)

  13. Complex chemistry

    International Nuclear Information System (INIS)

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

    2006-06-01

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

  14. Mathematical Chemistry

    OpenAIRE

    Trinajstić, Nenad; Gutman, Ivan

    2002-01-01

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

  15. Geologic studies

    International Nuclear Information System (INIS)

    Wayland, T.E.; Rood, A.

    1983-01-01

    The modern Great Divide Basin is the end product of natural forces influenced by the Green River lake system, Laramide tectonism, and intermittent volcanic events. It ranks as one of the most complex structural and stratigtaphic features within the Tertiary basins of Wyoming. Portions of the Great Divide Basin and adjoining areas in Wyoming have been investigated by applying detailed and region exploration methods to known uranium deposits located within the Red Desert portions of the basin. Geologic field investigations conducted by Bendix Field Engineering Corporaton (Bendix) were restricted to reconnaissance observations made during infrequent visits to the project area by various Bendix personnel. Locations of the most comprehensive field activities are shown in Figure II-1. The principal source fo data for geologic studies of the Red Desert project area has been information and materials furnished by industry. Several hundred holes have been drilled by various groups to delineate the uranium deposits. Results from Bendix-drilled holes at selected locations within the project area are summarized in Table II-1. Additional details and gross subsurface characteristics are illustrated in cross sections; pertinent geologic features are illustrated in plan maps. Related details of continental sedimentation that pertain to the Wyoming Basins generally, and the project area specificially, are discussed in subsections of this Geologic Studies section

  16. Nuclear medicine

    International Nuclear Information System (INIS)

    Kand, Purushottam

    2012-01-01

    Nuclear medicine is a specialized area of radiology that uses very small amounts of radioactive materials to examine organ function and structure. Nuclear medicine is older than CT, ultrasound and MRI. It was first used in patients over 60-70 years ago. Today it is an established medical specialty and offers procedures that are essential in many medical specialities like nephrology, pediatrics, cardiology, psychiatry, endocrinology and oncology. Nuclear medicine refers to medicine (a pharmaceutical) that is attached to a small quantity of radioactive material (a radioisotope). This combination is called a radiopharmaceutical. There are many radiopharmaceuticals like DTPA, DMSA, HIDA, MIBI and MDP available to study different parts of the body like kidneys, heart and bones etc. Nuclear medicine uses radiation coming from inside a patient's body where as conventional radiology exposes patients to radiation from outside the body. Thus nuclear imaging study is a physiological imaging, whereas diagnostic radiology is anatomical imaging. It combines many different disciplines like chemistry, physics mathematics, computer technology, and medicine. It helps in diagnosis and to treat abnormalities very early in the progression of a disease. The information provides a quick and accurate diagnosis of wide range of conditions and diseases in a person of any age. These tests are painless and most scans expose patients to only minimal and safe amounts of radiation. The amount of radiation received from a nuclear medicine procedure is comparable to, or often many times less than, that of a diagnostic X-ray. Nuclear medicine provides an effective means of examining whether some tissues/organs are functioning properly. Therapy using nuclear medicine in an effective, safe and relatively inexpensive way of controlling and in some cases eliminating, conditions such as overactive thyroid, thyroid cancer and arthritis. Nuclear medicine imaging is unique because it provides doctors with

  17. The role of European Federation of Clinical Chemistry and Laboratory Medicine Working Group for Preanalytical Phase in standardization and harmonization of the preanalytical phase in Europe

    NARCIS (Netherlands)

    Cornes, Michael P.; Church, Stephen; van Dongen-Lases, Edmée; Grankvist, Kjell; Guimarães, João T.; Ibarz, Mercedes; Kovalevskaya, Svetlana; Kristensen, Gunn Bb; Lippi, Giuseppe; Nybo, Mads; Sprongl, Ludek; Sumarac, Zorica; Simundic, Ana-Maria

    2016-01-01

    Patient safety is a leading challenge in healthcare and from the laboratory perspective it is now well established that preanalytical errors are the major contributor to the overall rate of diagnostic and therapeutic errors. To address this, the European Federation of Clinical Chemistry and

  18. Medicinal Chemistry and Molecular Modeling: An Integration to Teach Drug Structure-Activity Relationship and the Molecular Basis of Drug Action

    Science.gov (United States)

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

    2005-01-01

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

  19. Chemistry of Technetium

    International Nuclear Information System (INIS)

    Omori, Takashi

    2001-01-01

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

  20. Gallium and copper radiopharmaceutical chemistry

    International Nuclear Information System (INIS)

    Green, M.A.

    1991-01-01

    Gallium and copper radionuclides have a long history of use in nuclear medicine. Table 1 presents the nuclear properties of several gallium and copper isotopes that either are used in the routine practice of clinical nuclear medicine or exhibit particular characteristics that might make them useful in diagnostic or therapeutic medicine. This paper will provide some historic perspective along with an overview of some current research directions in gallium and copper radiopharmaceutical chemistry. A more extensive review of gallium radiopharmaceutical chemistry has recently appeared and can be consulted for a more in-depth treatment of this topic

  1. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1976

    1976-01-01

    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  2. Chemistry Dashboard

    Science.gov (United States)

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

  3. Developments in nuclear medicine

    International Nuclear Information System (INIS)

    Elias, H.

    1977-01-01

    The article reports on the first international meeting about radiopharmaceutical chemistry in the Brookhaven National Laboratory, Long Island/USA, from 21st to 24th September, 1976. The meeting report is preceded by the explanation of the terms 'radiopharmaceutical chemistry' and 'nuclear medicine' and a brief survey of the history. The interdisciplinary connection of the spheres of nuclear physics, nuclear chemistry, biochemistry, nuclear medicine, and data processing is also briefly shown. This is necessary before radiodiagnosis can be made for a patient. (RB) [de

  4. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John

    1994-01-01

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

  5. Aquatic Chemistry

    International Nuclear Information System (INIS)

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

    1987-07-01

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

  6. 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

  7. Radiation and medicine: introduction

    International Nuclear Information System (INIS)

    Lentle, B.; Singh, H.

    1984-01-01

    A brief historical review is given of the development of the various nuclear medicine techniques which have been evolved since the discovery of X-rays and radioactivity. The role of various disciplines, such as radiobiology, radiation chemistry, radiation physics and computers in the application of radiation in medicine is discussed. (U.K.)

  8. Frontiers in nuclear chemistry

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  9. Nuclear chemistry 1

    International Nuclear Information System (INIS)

    Macasek, F.

    2009-01-01

    This text-book (electronic book - multi-media CD-ROM) constitutes a course-book - author's collection of lectures. It consists of 9 lectures in which the reader acquaints with the basis of nuclear chemistry and radiochemistry: History of nucleus; Atomic nuclei; Radioactivity; Nuclear reactions and nucleogenesis; Isotopism; Ionizing radiation; Radiation measurement; Nuclear energetics; Isotopic indicators. This course-book may be interesting for students, post-graduate students of chemistry, biology, physics, medicine a s well as for teachers, scientific workers and physicians. (author)

  10. 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.

  11. Health benefits of geologic materials and geologic processes

    Science.gov (United States)

    Finkelman, R.B.

    2006-01-01

    The reemerging field of Medical Geology is concerned with the impacts of geologic materials and geologic processes on animal and human health. Most medical geology research has been focused on health problems caused by excess or deficiency of trace elements, exposure to ambient dust, and on other geologically related health problems or health problems for which geoscience tools, techniques, or databases could be applied. Little, if any, attention has been focused on the beneficial health effects of rocks, minerals, and geologic processes. These beneficial effects may have been recognized as long as two million years ago and include emotional, mental, and physical health benefits. Some of the earliest known medicines were derived from rocks and minerals. For thousands of years various clays have been used as an antidote for poisons. "Terra sigillata," still in use today, may have been the first patented medicine. Many trace elements, rocks, and minerals are used today in a wide variety of pharmaceuticals and health care products. There is also a segment of society that believes in the curative and preventative properties of crystals (talismans and amulets). Metals and trace elements are being used in some of today's most sophisticated medical applications. Other recent examples of beneficial effects of geologic materials and processes include epidemiological studies in Japan that have identified a wide range of health problems (such as muscle and joint pain, hemorrhoids, burns, gout, etc.) that may be treated by one or more of nine chemically distinct types of hot springs, and a study in China indicating that residential coal combustion may be mobilizing sufficient iodine to prevent iodine deficiency disease. ?? 2006 MDPI. All rights reserved.

  12. Future perspectives of radiation chemistry

    International Nuclear Information System (INIS)

    Hatano, Yoshihiko

    2009-01-01

    Future perspectives of radiation chemistry are discussed by the analysis of the related information in detail as obtained from our recent surveys of publications and scientific meetings in radiation chemistry and its neighboring research fields, giving some examples, and are summarized as follows. (1) Traditionally important core-parts of radiation chemistry should be activated more. The corresponding research programs are listed in detail. (2) Research fields of physics, chemistry, biology, medicine, and technology in radiation research should interact more among them with each other. (3) Basic research of radiation chemistry should interact more with its applied research. (4) Interface research fields with radiation chemistry should be produced more with mutually common viewpoints and research interests between the two. Interfaces are not only applied research but also basic one.

  13. Forensic Chemistry

    Science.gov (United States)

    Bell, Suzanne

    2009-07-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  14. Eleventh international conference on boron chemistry. Programme and abstracts

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    Abstracts of reports at the Eleventh International Conference on Boron Chemistry are presented. Born chemistry as a connecting bridge between many fields maintains one of the leading positions in modern chemistry. Methods of synthesis of different boron compounds, properties of the compounds, their use in other regions of chemistry and medicine are widely presented in reports.

  15. Eleventh international conference on boron chemistry. Programme and abstracts

    International Nuclear Information System (INIS)

    2002-01-01

    Abstracts of reports at the Eleventh International Conference on Boron Chemistry are presented. Born chemistry as a connecting bridge between many fields maintains one of the leading positions in modern chemistry. Methods of synthesis of different boron compounds, properties of the compounds, their use in other regions of chemistry and medicine are widely presented in reports [ru

  16. Planetary geology

    CERN Document Server

    Gasselt, Stephan

    2018-01-01

    This book provides an up-to-date interdisciplinary geoscience-focused overview of solid solar system bodies and their evolution, based on the comparative description of processes acting on them. Planetary research today is a strongly multidisciplinary endeavor with efforts coming from engineering and natural sciences. Key focal areas of study are the solid surfaces found in our Solar System. Some have a direct interaction with the interplanetary medium and others have dynamic atmospheres. In any of those cases, the geological records of those surfaces (and sub-surfaces) are key to understanding the Solar System as a whole: its evolution and the planetary perspective of our own planet. This book has a modular structure and is divided into 4 sections comprising 15 chapters in total. Each section builds upon the previous one but is also self-standing. The sections are:  Methods and tools Processes and Sources  Integration and Geological Syntheses Frontiers The latter covers the far-reaching broad topics of exo...

  17. Geologic environmental study

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Chun Soo; Bae, Dae Seok; Kim, Kyung Su; Park, Byung Yoon; Koh, Young Kown; Chun, Kwan Sik; Kim, Jhin Wung

    2000-05-01

    The geoscience research works are focused on the production of geologic basic data accompanying with the technical development of geology and hydrogeologic characterization. The lithology of the Korean peninsula consists of a complex structure of 29 rock types from Archean to Quaternary. The wide distribution of Mesozoic plutonic rock is an important consideration as a potential host rock allowing flexibility of siting. The recent tectonic activities are limited to localized particular area, which can be avoided by excluding in the early stage of siting. Three rock types such as plutonic rocks, crystalline gneisses and massive volcanic rocks were suggested as the preferred host rocks for the further study on HLW disposal system. This report contains grouping of regional faults, and on the distributional characteristics of faults and fractures(zones) in terms of lithological domain and tectonical provinces. The regional groundwater regime can be grouped into 3 regimes by tectonic setting and four groundwater regions based on an altitute. Groundwaters can be grouped by their chemistry and host rocks. The origin of groundwater was proposed by isotope ({sup 1}8O, {sup 2}H, {sup 1}3C, {sup 3}4S, {sup 8}7Sr, {sup 1}5N) studies and the residence time of groundwater was inferred from their tritium contents. Based on the geochemical and isotope characteristics, the geochemical evolutions of each types of groundwater were simulated using SOLVEQ/CHILLER and PHREEQC programs.

  18. Geologic environmental study

    International Nuclear Information System (INIS)

    Kim, Chun Soo; Bae, Dae Seok; Kim, Kyung Su; Park, Byung Yoon; Koh, Young Kown; Chun, Kwan Sik; Kim, Jhin Wung

    2000-05-01

    The geoscience research works are focused on the production of geologic basic data accompanying with the technical development of geology and hydrogeologic characterization. The lithology of the Korean peninsula consists of a complex structure of 29 rock types from Archean to Quaternary. The wide distribution of Mesozoic plutonic rock is an important consideration as a potential host rock allowing flexibility of siting. The recent tectonic activities are limited to localized particular area, which can be avoided by excluding in the early stage of siting. Three rock types such as plutonic rocks, crystalline gneisses and massive volcanic rocks were suggested as the preferred host rocks for the further study on HLW disposal system. This report contains grouping of regional faults, and on the distributional characteristics of faults and fractures(zones) in terms of lithological domain and tectonical provinces. The regional groundwater regime can be grouped into 3 regimes by tectonic setting and four groundwater regions based on an altitute. Groundwaters can be grouped by their chemistry and host rocks. The origin of groundwater was proposed by isotope ( 1 8O, 2 H, 1 3C, 3 4S, 8 7Sr, 1 5N) studies and the residence time of groundwater was inferred from their tritium contents. Based on the geochemical and isotope characteristics, the geochemical evolutions of each types of groundwater were simulated using SOLVEQ/CHILLER and PHREEQC programs

  19. The Indian Ocean nodule field: Geology and resource potential

    Digital Repository Service at National Institute of Oceanography (India)

    Mukhopadhyay, R.; Ghosh, A; Iyer, S.D.

    This book briefly accounts for the physiography, geology, biology, physics and chemistry of the nodule field, and discusses in detail the aspects of structure, tectonic and volcanism in the field. The role of the ocean floor sediment that hosts...

  20. 15th International Conference on Boron Chemistry (IMEBORON XV)

    Czech Academy of Sciences Publication Activity Database

    Grüner, Bohumír; Štíbr, Bohumil

    2015-01-01

    Roč. 87, č. 2 (2015), s. 121 ISSN 0033-4545 Institutional support: RVO:61388980 Keywords : boranes * boron * boron materials * carboranes * IMEBORON XV * medicinal chemistry Subject RIV: CA - Inorganic Chemistry

  1. Organic chemistry

    International Nuclear Information System (INIS)

    2003-08-01

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

  2. Radiation chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

    Research progress is reported on radiation chemistry of heavy elements that includes the following topics: radiation chemistry of plutonium in nitric acid solutions (spectrophotometric analysis and gamma radiolysis of Pu(IV) and Pu(VI) in nitric acid solution); EPR studies of intermediates formed in radiolytic reactions with aqueous medium; two-phase radiolysis and its effect on the distribution coefficient of plutonium; and radiation chemistry of nitric acid. (DHM)

  3. Chemistry Technology

    Data.gov (United States)

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

  4. The Uranium Chemistry Research Unit

    International Nuclear Information System (INIS)

    Anon.

    1983-01-01

    The article discusses the research work done at the Uranium Chemistry Research Unit of the University of Port Elizabeth. The initial research programme dealt with fundamental aspects of uranium chemistry. New uranium compounds were synthesized and their chemical properties were studied. Research was also done to assist the mining industry, as well as on nuclear medicine. Special mentioning is made of the use of technetium for medical diagnosis and therapy

  5. Kitchen chemistry: A scoping review of the diversionary use of pharmaceuticals for non-medicinal use and home production of drug solutions.

    Science.gov (United States)

    Van Hout, Marie Claire

    2014-01-01

    Misuse of pharmaceuticals is of increasing drug policy and public health concern. A scoping review was conducted on the diversionary use of pharmaceuticals for non-medicinal use and home production of drug solutions. The research question was broad: What is known from the existing literature about the diversion of pharmaceuticals for non-medicinal use and for home production of drug solutions? The scoping process centred on the systematic selection, collection, and summarization of extant knowledge within this broad thematic remit. One hundred and thirty-four records were grouped into discrete thematic categories namely: non medicinal use and tampering with pharmaceuticals, oral misuse of codeine cough syrups, homemade drug solutions, and home-produced drug-related harms in the narrative review design. Forms of abuse of codeine cough syrup include mixtures with alcohol or soft drinks ('Purple Drank'), with kratom leaves ('Kratom cocktails'), or chemically altered to extract dextromorphan ('Lemon Drop'). Production of homemade opiates ('Cheornaya', 'Kolyosa', Himiya', 'Braun', 'Krokodil'), methamphetamine ('Vint', 'Pervitin'), methcathinone ('Jeff'), and cathinone ('Boltushka') are described. Displacement patterns between the non-medical use of pharmaceuticals, commercial, and homemade drugs appear dependent on availability of opiates, prescribing practices, supervision of substitution drug dosing, availability of cheap ingredients, policing, and awareness of harms. Adverse health and social consequences relate to the use of unknown and contaminated (end) substances, injecting practices, redosing, medical complications, and death. The review highlights a public health imperative requiring a multidisciplinary approach to quantify potential impact and required integrated policy responses incorporating international regulation, enforcement, health surveillance and service delivery. Copyright © 2014 John Wiley & Sons, Ltd.

  6. Review on a Traditional Herbal Medicine, Eurycoma longifolia Jack (Tongkat Ali: Its Traditional Uses, Chemistry, Evidence-Based Pharmacology and Toxicology

    Directory of Open Access Journals (Sweden)

    Shaheed Ur Rehman

    2016-03-01

    Full Text Available Eurycoma longifolia Jack (known as tongkat ali, a popular traditional herbal medicine, is a flowering plant of the family Simaroubaceae, native to Indonesia, Malaysia, Vietnam and also Cambodia, Myanmar, Laos and Thailand. E. longifolia, is one of the well-known folk medicines for aphrodisiac effects as well as intermittent fever (malaria in Asia. Decoctions of E. longifolia leaves are used for washing itches, while its fruits are used in curing dysentery. Its bark is mostly used as a vermifuge, while the taproots are used to treat high blood pressure, and the root bark is used for the treatment of diarrhea and fever. Mostly, the roots extract of E. longifolia are used as folk medicine for sexual dysfunction, aging, malaria, cancer, diabetes, anxiety, aches, constipation, exercise recovery, fever, increased energy, increased strength, leukemia, osteoporosis, stress, syphilis and glandular swelling. The roots are also used as an aphrodisiac, antibiotic, appetite stimulant and health supplement. The plant is reported to be rich in various classes of bioactive compounds such as quassinoids, canthin-6-one alkaloids, β-carboline alkaloids, triterpene tirucallane type, squalene derivatives and biphenyl neolignan, eurycolactone, laurycolactone, and eurycomalactone, and bioactive steroids. Among these phytoconstituents, quassinoids account for a major portion of the E. longifolia root phytochemicals. An acute toxicity study has found that the oral Lethal Dose 50 (LD50 of the alcoholic extract of E. longifolia in mice is between 1500–2000 mg/kg, while the oral LD50 of the aqueous extract form is more than 3000 mg/kg. Liver and renal function tests showed no adverse changes at normal daily dose and chronic use of E. longifolia. Based on established literature on health benefits of E. longifolia, it is important to focus attention on its more active constituents and the constituents’ identification, determination, further development and most

  7. Geology and bedrock engineering

    International Nuclear Information System (INIS)

    1985-11-01

    This book deals with geology of Korea which includes summary, geology in central part and southern part in Korea and characteristic of geology structure, limestone like geology property of limestone, engineered property of limestone, and design and construction case in limestone area. It also introduces engineered property of the cenozoic, clay rock and shale, geologic and engineered property of phyllite and stratum.

  8. Old Geology and New Geology

    Science.gov (United States)

    2003-01-01

    [figure removed for brevity, see original site] Released 28 May 2003Mangala Vallis one of the large outflow channels that channeled large quantities of water into the northern lowlands, long ago on geological timescales. This valley is one of the few in the southern hemisphere, as well as one of the few west of the Tharsis bulge. A closer look at the channel shows more recent weathering of the old water channel: the walls of the channel show small, dark slope streaks that form in dusty areas; and much of the surrounding terrain has subtle linear markings trending from the upper left to the lower right, which are probably features sculpted and streamlined by the wind. Geology still shapes the surface of Mars today, but its methods over the eons have changed.Image information: VIS instrument. Latitude -6, Longitude 209.6 East (150.4 West). 19 meter/pixel resolution.Note: this THEMIS visual image has not been radiometrically nor geometrically calibrated for this preliminary release. An empirical correction has been performed to remove instrumental effects. A linear shift has been applied in the cross-track and down-track direction to approximate spacecraft and planetary motion. Fully calibrated and geometrically projected images will be released through the Planetary Data System in accordance with Project policies at a later time.NASA's Jet Propulsion Laboratory manages the 2001 Mars Odyssey mission for NASA's Office of Space Science, Washington, D.C. The Thermal Emission Imaging System (THEMIS) was developed by Arizona State University, Tempe, in collaboration with Raytheon Santa Barbara Remote Sensing. The THEMIS investigation is led by Dr. Philip Christensen at Arizona State University. Lockheed Martin Astronautics, Denver, is the prime contractor for the Odyssey project, and developed and built the orbiter. Mission operations are conducted jointly from Lockheed Martin and from JPL, a division of the California Institute of Technology in Pasadena.

  9. 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...

  10. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

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

  11. Nuclear chemistry

    International Nuclear Information System (INIS)

    Vertes, A.; Kiss, I.

    1987-01-01

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

  12. California Geological Survey Geologic Map Index

    Data.gov (United States)

    California Natural Resource Agency — All the individual maps from the Geologic Atlas of California and the Regional Geologic map series have been georeferenced for display in a GIS (and viewable online...

  13. Chemistry, Pharmacology, and Medicinal Property of Sage (Salvia to Prevent and Cure Illnesses such as Obesity, Diabetes, Depression, Dementia, Lupus, Autism, Heart Disease, and Cancer

    Directory of Open Access Journals (Sweden)

    Mohsen Hamidpour

    2014-04-01

    Full Text Available For a long time, sage (Salvia species have been used in traditional medicine for the relief of pain, protecting the body against oxidative stress, free radical damages, angiogenesis, inflammation, bacterial and virus infection, etc., Several studies suggest that sage species can be considered for drug development because of their reported pharmacology and therapeutic activities in many countries of Asia and Middle East, especially China and India. These studies suggest that Salvia species, in addition to treating minor common illnesses, might potentially provide novel natural treatments for the relief or cure of many serious and life-threatening diseases such as depression, dementia, obesity, diabetes, lupus, heart disease, and cancer. This article presents a comprehensive analysis of the botanical, chemical, and pharmacological aspects of sage (Saliva.

  14. Chemistry, Pharmacology, and Medicinal Property of Sage (Salvia) to Prevent and Cure Illnesses such as Obesity, Diabetes, Depression, Dementia, Lupus, Autism, Heart Disease, and Cancer.

    Science.gov (United States)

    Hamidpour, Mohsen; Hamidpour, Rafie; Hamidpour, Soheila; Shahlari, Mina

    2014-04-01

    For a long time, sage (Salvia) species have been used in traditional medicine for the relief of pain, protecting the body against oxidative stress, free radical damages, angiogenesis, inflammation, bacterial and virus infection, etc., Several studies suggest that sage species can be considered for drug development because of their reported pharmacology and therapeutic activities in many countries of Asia and Middle East, especially China and India. These studies suggest that Salvia species, in addition to treating minor common illnesses, might potentially provide novel natural treatments for the relief or cure of many serious and life-threatening diseases such as depression, dementia, obesity, diabetes, lupus, heart disease, and cancer. This article presents a comprehensive analysis of the botanical, chemical, and pharmacological aspects of sage (Saliva).

  15. Physics, radiology, and chemistry. 7. rev. ed.

    International Nuclear Information System (INIS)

    Linde, O.K.; Knigge, H.J.

    1986-01-01

    This book is an introduction to physics and chemistry especially for medical personnel. After a general introduction, measurement methods, mechanics including mechanics of solid bodies, fluids and gases, heat, optics, acoustics, electricity, radiations including their biological effects, general chemistry, inorganic and organic chemistry are treated. Every chapter contains exercises mostly in connection with medical and biological effects. Furthermore, connections with biology and medicine are considered. The chapters on physiological chemistry, computer and information theory, chemistry and ecology, and metabolism have been rewritten. (orig./HP) [de

  16. Isotope and Nuclear Chemistry Division annual report, FY 1990, October 1, 1989--September 30, 1990

    International Nuclear Information System (INIS)

    Heiken, J.; Minahan, M.

    1991-06-01

    This report describes some of the major research and development programs of the Isotope and Nuclear Chemistry Division during FY 1990. The report includes articles on weapons chemistry, environmental chemistry, actinide and transition metal chemistry, geochemistry, nuclear structure and reactions, biochemistry and nuclear medicine, materials chemistry, and INC Division facilities and laboratories

  17. Quantum chemistry

    CERN Document Server

    Lowe, John P

    1993-01-01

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

  18. Privileged scaffolds or promiscuous binders: a glance of pyrrolo[2,1-f][1,2,4]triazines and related bridgehead nitrogen heterocycles in medicinal chemistry.

    Science.gov (United States)

    Song, Yu'ning; Zhan, Peng; Zhang, Qingzhu; Liu, Xinyong

    2013-01-01

    Pyrrolo[2,1-f][1,2,4]triazine template, a unique bridgehead nitrogen heterocycle, certainly deserves the title of "privileged scaffold" in the drug discovery field because of the versatility and potential to yield derivatives with a wide range of biological activities, such as anti-anaplastic lymphoma kinase (ALK), Janus kinase 2 (JAK2), VEGFR-2, EGFR and/or HER2, Met kinase, p38α mitogen-activated protein (MAP) kinase and insulin-like growth factor receptor (IGF-1R) kinase activities, etc. These different biological properties of pyrrolo[2,1-f][1,2,4]triazine derivatives have motivated new studies in searching for novel derivatives with improved activity and also other applications in pharmaceutical field. However, no systematic review is available in the literature on the pyrrolo[2,1- f][1,2,4]triazine derivatives concerning the design of potent drug-like compounds. Owing to the importance of this heterocyclic system, the present paper is an attempt to the pharmacological activities, structural modifications and the structure-activity relationship (SAR) reported for bridgehead nitrogen heterocycles in the current literature, making an effort to highlight the importance and therapeutic potentials of the pyrrolo[2,1-f][1,2,4]triazine scaffold and its bridgehead nitrogen bioisosters as heterocyclic privileged medicinal scaffolds.

  19. Sample collections from healthy volunteers for biological variation estimates' update: a new project undertaken by the Working Group on Biological Variation established by the European Federation of Clinical Chemistry and Laboratory Medicine.

    Science.gov (United States)

    Carobene, Anna; Strollo, Marta; Jonker, Niels; Barla, Gerhard; Bartlett, William A; Sandberg, Sverre; Sylte, Marit Sverresdotter; Røraas, Thomas; Sølvik, Una Ørvim; Fernandez-Calle, Pilar; Díaz-Garzón, Jorge; Tosato, Francesca; Plebani, Mario; Coşkun, Abdurrahman; Serteser, Mustafa; Unsal, Ibrahim; Ceriotti, Ferruccio

    2016-10-01

    Biological variation (BV) data have many fundamental applications in laboratory medicine. At the 1st Strategic Conference of the European Federation of Clinical Chemistry and Laboratory Medicine (EFLM) the reliability and limitations of current BV data were discussed. The EFLM Working Group on Biological Variation is working to increase the quality of BV data by developing a European project to establish a biobank of samples from healthy subjects to be used to produce high quality BV data. The project involved six European laboratories (Milan, Italy; Bergen, Norway; Madrid, Spain; Padua, Italy; Istanbul, Turkey; Assen, The Netherlands). Blood samples were collected from 97 volunteers (44 men, aged 20-60 years; 43 women, aged 20-50 years; 10 women, aged 55-69 years). Initial subject inclusion required that participants completed an enrolment questionnaire to verify their health status. The volunteers provided blood specimens once per week for 10 weeks. A short questionnaire was completed and some laboratory tests were performed at each sampling consisting of blood collected under controlled conditions to provide serum, K2EDTA-plasma and citrated-plasma samples. Samples from six out of the 97 enroled subjects were discarded as a consequence of abnormal laboratory measurements. A biobank of 18,000 aliquots was established consisting of 120 aliquots of serum, 40 of EDTA-plasma, and 40 of citrated-plasma from each subject. The samples were stored at -80 °C. A biobank of well-characterised samples collected under controlled conditions has been established delivering a European resource to enable production of contemporary BV data.

  20. 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

  1. 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...

  2. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae Seong

    1993-02-15

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

  3. Analytical chemistry

    International Nuclear Information System (INIS)

    Choi, Jae Seong

    1993-02-01

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

  4. Analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-15

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  5. Analytical chemistry

    International Nuclear Information System (INIS)

    Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

    1989-02-01

    This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

  6. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie

    2011-05-15

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

  7. Engineering Geology | Alaska Division of Geological & Geophysical Surveys

    Science.gov (United States)

    Alaska's Mineral Industry Reports AKGeology.info Rare Earth Elements WebGeochem Engineering Geology Alaska content Engineering Geology Additional information Engineering Geology Posters and Presentations Alaska Alaska MAPTEACH Tsunami Inundation Mapping Engineering Geology Staff Projects The Engineering Geology

  8. Integrated path towards geological storage

    International Nuclear Information System (INIS)

    Bouchard, R.; Delaytermoz, A.

    2004-01-01

    Among solutions to contribute to CO 2 emissions mitigation, sequestration is a promising path that presents the main advantage of being able to cope with the large volume at stake when considering the growing energy demand. Of particular importance, geological storage has widely been seen as an effective solution for large CO 2 sources like power plants or refineries. Many R and D projects have been initiated, whereby research institutes, government agencies and end-users achieve an effective collaboration. So far, progress has been made towards reinjection of CO 2 , in understanding and then predicting the phenomenon and fluid dynamics inside the geological target, while monitoring the expansion of the CO 2 bubble in the case of demonstration projects. A question arises however when talking about sequestration, namely the time scale to be taken into account. Time is indeed of the essence, and points out the need to understand leakage as well as trapping mechanisms. It is therefore of prime importance to be able to predict the fate of the injected fluids, in an accurate manner and over a relevant period of time. On the grounds of geology, four items are involved in geological storage reliability: the matrix itself, which is the recipient of the injected fluids; the seal, that is the mechanistic trap preventing the injected fluids to flow upward and escape; the lower part of the concerned structure, usually an aquifer, that can be a migration way for dissolved fluids; and the man- made injecting hole, the well, whose characteristics should be as good as the geological formation itself. These issues call for specific competencies such as reservoir engineering, geology and hydrodynamics, mineral chemistry, geomechanics, and well engineering. These competencies, even if put to use to a large extent in the oil industry, have never been connected with the reliability of geological storage as ultimate goal. This paper aims at providing an introduction to these

  9. Renaissance of nuclear medicine through green nanotechnology. Functionalized radioactive gold nanoparticles in cancer therapy - my journey from chemistry to saving human lives

    International Nuclear Information System (INIS)

    Katti, K.V.

    2016-01-01

    First of all, I take great pleasure in thanking the international jury of subject experts who have selected me to receive the 2015 Hevesy Medal Award. It is a great honor for me and my institution, the University of Missouri, Columbia, USA, to join the illustrious list of former awardees of this internationally reputed Hevesy Medal Award being conferred to me today. I also take this opportunity to thank my teachers, mentors from India, Germany, Canada and the United States, who have trained and mentored me over the years. I also thank various faculty collaborators, post-doctoral fellows, graduate and undergraduate students who have contributed immensely to my research enterprise over the last 30 years - without whom achievements such as the Hevesy Medal Award - wouldn't have been a reality. I also express my heartfelt gratitude to my wife and co-worker, Kavita, who is among the audience here today, our children, my parents and my late in-laws and various relatives for all their support over the years. In this Hevesy Medal Award lecture, I will discuss brief details of a plethora of discoveries made in my laboratories in the general field of nuclear medicine especially as it relates to the creation of a scientifically sound rationale toward the development of 'nano-sized radiopharmaceuticals' through novel green nanotechnology approaches. In this lecture, I have planned to discuss Critical needs and importance of thinking 'Out of the Box' in discovering new and more effective approaches for cancer therapy; The role of radioactive gold nanoparticles in bringing about a paradigm shift toward the development of a new generation of nano Radiopharmaceuticals for applications in diagnostics and therapy; Details on the production of radioactive gold-198 nanoparticles with extensive preclinical investigations in tumor bearing mice and dogs and, finally Oncological implications as the emerging field of nano radiopharmaceuticals has the potential to

  10. Geological disposal system development

    International Nuclear Information System (INIS)

    Kang, Chul Hyung; Kuh, J. E.; Kim, S. K. and others

    2000-04-01

    Spent fuel inventories to be disposed of finally and design base spent fuel were determined. Technical and safety criteria for a geological repository system in Korea were established. Based on the properties of spent PWR and CANDU fuels, seven repository alternatives were developed and the most promising repository option was selected by the pair-wise comparison method from the technology point of view. With this option preliminary conceptual design studies were carried out. Several module, e.g., gap module, congruent release module were developed for the overall assessment code MASCOT-K. The prominent overseas databases such as OECD/NEA FEP list were are fully reviewed and then screened to identify the feasible ones to reflect the Korean geo-hydrological conditions. In addition to this the well known scenario development methods such as PID, RES were reviewed. To confirm the radiological safety of the proposed KAERI repository concept the preliminary PA was pursued. Thermo-hydro-mechanical analysis for the near field of repository were performed to verify thermal and mechanical stability for KAERI repository system. The requirements of buffer material were analyzed, and based on the results, the quantitative functional criteria for buffer material were established. The hydraulic and swelling property, mechanical properties, and thermal conductivity, the organic carbon content, and the evolution of pore water chemistry were investigated. Based on the results, the candidate buffer material was selected

  11. Geological disposal system development

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Chul Hyung; Kuh, J. E.; Kim, S. K. and others

    2000-04-01

    Spent fuel inventories to be disposed of finally and design base spent fuel were determined. Technical and safety criteria for a geological repository system in Korea were established. Based on the properties of spent PWR and CANDU fuels, seven repository alternatives were developed and the most promising repository option was selected by the pair-wise comparison method from the technology point of view. With this option preliminary conceptual design studies were carried out. Several module, e.g., gap module, congruent release module were developed for the overall assessment code MASCOT-K. The prominent overseas databases such as OECD/NEA FEP list were are fully reviewed and then screened to identify the feasible ones to reflect the Korean geo-hydrological conditions. In addition to this the well known scenario development methods such as PID, RES were reviewed. To confirm the radiological safety of the proposed KAERI repository concept the preliminary PA was pursued. Thermo-hydro-mechanical analysis for the near field of repository were performed to verify thermal and mechanical stability for KAERI repository system. The requirements of buffer material were analyzed, and based on the results, the quantitative functional criteria for buffer material were established. The hydraulic and swelling property, mechanical properties, and thermal conductivity, the organic carbon content, and the evolution of pore water chemistry were investigated. Based on the results, the candidate buffer material was selected.

  12. 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

  13. Analytical chemistry experiment

    International Nuclear Information System (INIS)

    Park, Seung Jo; Paeng, Seong Gwan; Jang, Cheol Hyeon

    1992-08-01

    This book deals with analytical chemistry experiment with eight chapters. It explains general matters that require attention on experiment, handling of medicine with keep and class, the method for handling and glass devices, general control during experiment on heating, cooling, filtering, distillation and extraction and evaporation and dry, glass craft on purpose of the craft, how to cut glass tube and how to bend glass tube, volumetric analysis on neutralization titration and precipitation titration, gravimetric analysis on solubility product, filter and washing and microorganism experiment with necessary tool, sterilization disinfection incubation and appendixes.

  14. General chemistry

    International Nuclear Information System (INIS)

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

    1993-07-01

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

  15. 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.)

  16. Indoor Chemistry

    DEFF Research Database (Denmark)

    Weschler, Charles J.; Carslaw, Nicola

    2018-01-01

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

  17. Nuclear Medicine

    Science.gov (United States)

    ... Parents/Teachers Resource Links for Students Glossary Nuclear Medicine What is nuclear medicine? What are radioactive tracers? ... funded researchers advancing nuclear medicine? What is nuclear medicine? Nuclear medicine is a medical specialty that uses ...

  18. 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...

  19. Reinventing Chemistry

    OpenAIRE

    Whitesides, George McClelland

    2015-01-01

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

  20. Chemistry Notes

    Science.gov (United States)

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  1. 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.

  2. 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

  3. Geology of Uruguay review

    International Nuclear Information System (INIS)

    Gomez Rifas, C.

    2011-01-01

    This work is about the Uruguay geology review.This country has been a devoted to breeding cattle and agriculture.The evolution of geological knowledge begun with Dr. Karl Walther who published 53 papers between 1909 and 1948.

  4. Geological Services Laboratory

    Data.gov (United States)

    Federal Laboratory Consortium — Researchers use computed tomography (CT) scanners at NETL’s Geological Services Laboratory in Morgantown, WV, to peer into geologic core samples to determine how...

  5. Mercury's Early Geologic History

    Science.gov (United States)

    Denevi, B. W.; Ernst, C. M.; Klima, R. L.; Robinson, M. S.

    2018-05-01

    A combination of geologic mapping, compositional information, and geochemical models are providing a better understanding of Mercury's early geologic history, and allow us to place it in the context of the Moon and the terrestrial planets.

  6. Identification of major sources controlling groundwater chemistry ...

    Indian Academy of Sciences (India)

    The study area Mettur forms an important industrial town situated NW of Salem district. The geology of the area is mainly composed of Archean crystalline metamorphic complexes. To iden- tify the major process activated for controlling the groundwater chemistry an attempt has been made by collecting a total of 46 ...

  7. Use of combinatorial chemistry to speed drug discovery.

    Science.gov (United States)

    Rádl, S

    1998-10-01

    IBC's International Conference on Integrating Combinatorial Chemistry into the Discovery Pipeline was held September 14-15, 1998. The program started with a pre-conference workshop on High-Throughput Compound Characterization and Purification. The agenda of the main conference was divided into sessions of Synthesis, Automation and Unique Chemistries; Integrating Combinatorial Chemistry, Medicinal Chemistry and Screening; Combinatorial Chemistry Applications for Drug Discovery; and Information and Data Management. This meeting was an excellent opportunity to see how big pharma, biotech and service companies are addressing the current bottlenecks in combinatorial chemistry to speed drug discovery. (c) 1998 Prous Science. All rights reserved.

  8. Chemistry and physics

    International Nuclear Information System (INIS)

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

    1983-01-01

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

  9. The Medicinal Chemistry of Imidazotetrazine Prodrugs

    Directory of Open Access Journals (Sweden)

    Catherine L. Moody

    2014-07-01

    Full Text Available Temozolomide (TMZ is the standard first line treatment for malignant glioma, reaching “blockbuster” status in 2010, yet it remains the only drug in its class. The main constraints on the clinical effectiveness of TMZ therapy are its requirement for active DNA mismatch repair (MMR proteins for activity, and inherent resistance through O6-methyl guanine-DNA methyl transferase (MGMT activity. Moreover, acquired resistance, due to MMR mutation, results in aggressive TMZ-resistant tumour regrowth following good initial responses. Much of the attraction in TMZ as a drug lies in its PK/PD properties: it is acid stable and has 100% oral bioavailability; it also has excellent distribution properties, crosses the blood-brain barrier, and there is direct evidence of tumour localisation. This review seeks to unravel some of the mysteries of the imidazotetrazine class of compounds to which TMZ belongs. In addition to an overview of different synthetic strategies, we explore the somewhat unusual chemical reactivity of the imidazotetrazines, probing their mechanisms of reaction, examining which attributes are required for an active drug molecule and reviewing the use of this combined knowledge towards the development of new and improved anti-cancer agents.

  10. Molecular shape and medicinal chemistry: a perspective.

    Science.gov (United States)

    Nicholls, Anthony; McGaughey, Georgia B; Sheridan, Robert P; Good, Andrew C; Warren, Gregory; Mathieu, Magali; Muchmore, Steven W; Brown, Scott P; Grant, J Andrew; Haigh, James A; Nevins, Neysa; Jain, Ajay N; Kelley, Brian

    2010-05-27

    The eight contributions here provide ample evidence that shape as a volume or as a surface is a vibrant and useful concept when applied to drug discovery. It provides a reliable scaffold for "decoration" with chemical intuition (or bias) for virtual screening and lead optimization but also has its unadorned uses, as in library design, ligand fitting, pose prediction, or active site description. Computing power has facilitated this evolution by allowing shape to be handled precisely without the need to reduce down to point descriptors or approximate metrics, and the diversity of resultant applications argues for this being an important step forward. Certainly, it is encouraging that as computation has enabled our intuition, molecular shape has consistently surprised us in its usefulness and adaptability. The first Aurelius question, "What is the essence of a thing?", seems well answered, however, the third, "What do molecules do?", only partly so. Are the topics covered here exhaustive, or is there more to come? To date, there has been little published on the use of the volumetric definition of shape described here as a QSAR variable, for instance, in the prediction or classification of activity, although other shape definitions have been successful applied, for instance, as embodied in the Compass program described above in "Shape from Surfaces". Crystal packing is a phenomenon much desired to be understood. Although powerful models have been applied to the problem, to what degree is this dominated purely by the shape of a molecule? The shape comparison described here is typically of a global nature, and yet some importance must surely be placed on partial shape matching, just as the substructure matching of chemical graphs has proved useful. The approach of using surfaces, as described here, offers some flavor of this, as does the use of metrics that penalize volume mismatch less than the Tanimoto, e.g., Tversky measures. As yet, there is little to go on as to how useful a paradigm this will be because there is less software and fewer concrete results.Finally, the distance between molecular shapes, or between any shapes defined as volumes or surfaces, is a metric property in the mathematical sense of the word. As yet, there has been little, if any, application of this observation. We cannot know what new application to the design and discovery of pharmaceuticals may yet arise from the simple concept of molecular shape, but it is fair to say that the progress so far is impressive.

  11. (loranthaceae); ethnopharmacology, chemistry and medicinal values

    African Journals Online (AJOL)

    Mistletoes of the Loranthaceae and Viscaceae are hemi-parasitic plants and their preparations in the form of injectable extracts, infusions, tinctures, fluid extracts or tea bags are widely used in various cultures in almost every continent to treat or manage various health problems including hypertension, diabetes mellitus, ...

  12. Fine chemistry

    International Nuclear Information System (INIS)

    Laszlo, P.

    1988-01-01

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

  13. Radioanalytical chemistry

    International Nuclear Information System (INIS)

    1982-01-01

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

  14. Analytical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

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

  15. 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.

  16. Computational chemistry

    Science.gov (United States)

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  17. Green chemistry

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  18. The geological attitude

    International Nuclear Information System (INIS)

    Fuller, J.G.C.M.

    1992-01-01

    This paper discusses geological activity which takes place mainly in response to industrial and social pressures. Past geological reaction to these pressures profoundly altered popular conceptions of time, the Church, man, and the balance of nature. The present-day circumstances of geology are not essentially different from those of the past. Petroleum geology in North American illustrates the role of technology in determining the style and scope of geological work. Peaks of activity cluster obviously on the introduction from time to time of new instrumental capabilities (geophysical apparatus, for example), although not infrequently such activity is testing concepts or relationships perceived long before. Organic metamorphism and continental drift provide two examples. The petroleum industry now faces the dilemma of satisfying predicted demands for fuel, without doing irreparable injury to its environment of operation. Awareness of man's place in nature, which is a fundamental perception of geology, governs the geological attitude

  19. Chemistry of fluids from a natural analogue for a geological CO{sub 2} storage site (Montmiral, France): Lessons for CO{sub 2}-water-rock interaction assessment and monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Pauwels, Helene [BRGM - Water Division, 3, av Claude Guillemin, 45060 Orleans Cedex (France)], E-mail: h.pauwels@brgm.fr; Gaus, Irina; Le Nindre, Yves Michel [BRGM - Water Division, 3, av Claude Guillemin, 45060 Orleans Cedex (France); Pearce, Jonathan [British Geological Survey, Kingsley Dunham Centre, Keyworth, Nottingham NG125GG (United Kingdom); Czernichowski-Lauriol, Isabelle [BRGM - Water Division, 3, av Claude Guillemin, 45060 Orleans Cedex (France)

    2007-12-15

    Chemical and isotope studies of natural CO{sub 2} accumulations aid in assessing the chemical effects of CO{sub 2} on rock and thus provide a potential for understanding the long-term geochemical processes involved in CO{sub 2} geological storage. Several natural CO{sub 2} accumulations were discovered during gas and oil exploration in France's carbogaseous peri-Alpine province (south-eastern France) in the 1960s. One of these, the Montmiral accumulation at a depth of more than 2400 m, is currently being exploited. The chemical composition of the water collected at the wellhead has changed in time and the final salinity exceeds 75 g/L. These changes in time can be explained by assuming that the fraction of the reservoir brine in the recovered brine-CO{sub 2}-H{sub 2}O mixture varies, resulting in variable proportions of H{sub 2}O and brine in the sampled water. The proportions can be estimated in selected samples due to the availability of gas and water flowrate data. These data enabled the reconstruction of the chemical and isotope composition of the brine. The proportions of H{sub 2}O and brine can also be estimated from isotope ({delta}{sup 2}H, {delta}{sup 18}O) composition of collected water and {delta}{sup 18}O of the sulfates or CO{sub 2}. The reconstituted brine has a salinity of more than 85 g/L and, according to its Br{sup -} content and isotope ({delta}{sup 2}H, {delta}{sup 18}O, {delta}{sup 34}S) composition, originates from an evaporated Triassic seawater that underwent dilution by meteoric water. The reconstitution of the brine's chemical composition enabled an evaluation of the CO{sub 2}-water-rock interactions based on: (1) mineral saturation indices; and (2) comparison with initial evaporated Triassic seawater. Dissolution of K- and SO{sub 4}-containing minerals such as K-feldspar and anhydrite, and precipitation of Ca and Mg containing minerals that are able to trap CO{sub 2} (carbonates) are highlighted. The changes in concentration of

  20. Handbook of hot atom chemistry

    International Nuclear Information System (INIS)

    Adloff, J.P.; Matsuura, Tatsuo; Yoshihara, Kenji

    1992-01-01

    Hot atom chemistry is an increasingly important field, which has contributed significantly to our understanding of many fundamental processes and reactions. Its techniques have become firmly entrenched in numerous disciplines, such as applied physics, biomedical research, and all fields of chemistry. Written by leading experts, this comprehensive handbook encompasses a broad range of topics. Each chapter comprises a collection of stimulating essays, given an in-depth account of the state-of-the-art of the field, and stressing opportunities for future work. An extensive introduction to the whole area, this book provides unique insight into a vast subject, and a clear delineation of its goals, techniques, and recent findings. It also contains detailed discussions of applications in fields as diverse as nuclear medicine, geochemistry, reactor technology, and the chemistry of comets and interstellar grains. (orig.)

  1. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry

    1978-01-01

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

  2. Solution chemistry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1973-07-01

    Research progress is reported on studies in heavy element chemistry. Topics considered are: synergistic complexes of plutonyl ion; water uptake in synergistic systems; formation constants of some uranyl BETA -diketone complexes; thermodynamic acid dissociation constants of BETA -diketones; thermodynamic formation constants of uranyl BETA -diketonates; thiocyanate complexes of some trivalent lanthanides and actinides; stability constants of actinide complexes using dinonyl naphthalenesulfonic acid extraction; TBP extraction of actinides; stability constants of complexes of Pu(III) with 5- sulfosalicycllc acid; and solvent extraction behavior of Pu( VII). (DHM)

  3. Interstellar chemistry.

    Science.gov (United States)

    Klemperer, William

    2006-08-15

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

  4. Radioisotopes in nuclear medicine

    International Nuclear Information System (INIS)

    Samuel, A.M.

    2002-01-01

    Full text: A number of advances in diverse fields of science and technology and the fruitful synchronization of many a new development to address the issues related to health care in terms of prognosis and diagnosis resulted in the availability of host of modern diagnostic tools in medicine. Nuclear medicine, a unique discipline in medicine is one such development, which during the last four decades has seen exponential growth. The unique contribution of this specialty is the ability to examine the dynamic state of every organ of the body with the help of radioactive tracers. This tracer application in nuclear medicine to monitor the biological molecules that participate in the dynamic state of body constituents has led to a whole new approach to biology and medicine. No other technique has the same level of sensitivity and specificity as obtained in radiotracer technique in the study of in-situ chemistry of body organs. As modem medicine becomes oriented towards molecules rather than organs, nuclear medicine will be in the forefront and will become an integral part of a curative process for regular and routine application. Advances in nuclear medicine will proceed along two principal lines: (i) the development of improved sensitive detectors of radiation, powerful and interpretable data processing, image analysis and display techniques, and (ii) the production of exotic and new but useful radiopharmaceuticals. All these aspects are dealt with in detail in this talk

  5. Environmental geology and hydrology

    Science.gov (United States)

    Nakić, Zoran; Mileusnić, Marta; Pavlić, Krešimir; Kovač, Zoran

    2017-10-01

    Environmental geology is scientific discipline dealing with the interactions between humans and the geologic environment. Many natural hazards, which have great impact on humans and their environment, are caused by geological settings. On the other hand, human activities have great impact on the physical environment, especially in the last decades due to dramatic human population growth. Natural disasters often hit densely populated areas causing tremendous death toll and material damage. Demand for resources enhanced remarkably, as well as waste production. Exploitation of mineral resources deteriorate huge areas of land, produce enormous mine waste and pollute soil, water and air. Environmental geology is a broad discipline and only selected themes will be presented in the following subchapters: (1) floods as natural hazard, (2) water as geological resource and (3) the mining and mineral processing as types of human activities dealing with geological materials that affect the environment and human health.

  6. Geology of Mars

    International Nuclear Information System (INIS)

    Soderblom, L.A.

    1988-01-01

    The geology of Mars and the results of the Mariner 4, 6/7, and 9 missions and the Viking mission are reviewed. The Mars chronology and geologic modification are examined, including chronological models for the inactive planet, the active planet, and crater flux. The importance of surface materials is discussed and a multispectral map of Mars is presented. Suggestions are given for further studies of the geology of Mars using the Viking data. 5 references

  7. Integrating Chemistry: Crossing the Millennium Divide.

    Science.gov (United States)

    Housecroft, Catherine E

    2018-02-01

    A personal account of the development of two University level chemistry books is presented. The account focuses on ways to integrate the traditional branches of chemistry into a textbook that captures the imagination of students and relates chemical principles and fundamental topics to environmental, medicinal, biological and industrial applications. The ways in which teaching methods have changed over two decades and how web-based resources can be used to improve the communication of chemical (in particular structural) concepts are highlighted.

  8. Coordination compounds in nuclear medicine

    International Nuclear Information System (INIS)

    Jurisson, S.; Berning, D.; Wei Jia; Dangshe Ma

    1993-01-01

    Radiopharmaceuticals, drugs containing a radionuclide, are used routinely in nuclear medicine departments for the diagnosis of disease and are under investigation for use in the treatment of disease. Nuclear medicine takes advantage of both the nuclear properties of the radionuclide and the pharmacological properties of the radiopharmaceutical. Herein lies the real strength of nuclear medicine, the ability to monitor biochemical and physiological functions in vivo. This review discusses the coordination chemistry that forms the basis for nuclear medicine applications of the FDA-approved radiopharmaceuticals that are in clinical use, and of the most promising diagnostic and therapeutic radiopharmaceuticals that are in various stages of development. 232 refs

  9. Radiation chemistry and bioradical chemistry

    International Nuclear Information System (INIS)

    Ferradini, C.

    1991-01-01

    Oxygen metabolism results, at the cellular level, in the formation of superoxyde radical O 2 - · and probably also of hydroxyl radical OH·. Other radical species can be produced from exogenous or endogenous molecules and nearly all of them have the possibility to react with oxygen giving peroxyradicals. Some of these transients play a role in various biological processes such as phagocytosis, inflammation or ischemy although the mechanisms invoked are poorly understood. Radiation chemistry is an invaluable tool for obtaining a quantitative view of these mechanisms. A description is given of this interaction [fr

  10. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Majer, K.

    1982-01-01

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

  11. Medicine organizer

    Science.gov (United States)

    Martins, Ricardo; Belchior, Ismael

    2015-04-01

    In the last year of secondary school, students studying physics and chemistry are incentivized to do a project where they must put in practice their improvement of scientific knowledge and skills, like observation of phenomena and analysis of data with scientific knowledge. In this project a group of students, tutored by the teacher, wanted to build an instrument that helps people to take their medical drugs at the right time. This instrument must have some compartments with an alarm and an LED light where the people can put their medical drugs. The instrument must be easily programed using an android program that also registers if the medicine has been taken. The students needed to simulate the hardware and software, draw the electronic system and build the final product. At the end of the school year, a public oral presentation was prepared by each group of students and presented to the school community. They are also encouraged to participate in national and international scientific shows and competitions.

  12. Cyclodextrin chemistry

    International Nuclear Information System (INIS)

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

    1990-05-01

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

  13. Astronomical chemistry.

    Science.gov (United States)

    Klemperer, William

    2011-01-01

    The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.

  14. Reburning chemistry

    International Nuclear Information System (INIS)

    Kilpin, P.; Hupa, M.; Glarborg, P.

    1992-01-01

    No reduction chemistry in natural gas (methane) reburning was studied using detailed kinetic modeling. A reaction set including 225 reversible elementary gas-phase reactions and 48 chemical species was applied to an ideal plug flow reactor, and the most important reactions leading to NO reduction were identified and quantified for a number of conditions relevant for natural gas reburning. In addition, the influence of different process parameters on the NO reduction was investigated in the reburn zone and burn-out zone, respectively. Further, comparison of the calculations to available laboratory-scale data on reburning is made. In this paper, the impact of various fluid dynamic, mixing, and chemical effects---not accounted for in the calculations---on the NO reduction and the optimum reburning conditions predicted is discussed

  15. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  16. Coupling between water chemistry and thermal output at unsaturated repositories

    International Nuclear Information System (INIS)

    Walton, J.; LeMone, D.; Casey, D.

    1995-01-01

    This paper summarizes issues in predicting thermohydrology in the near field of a deep geological repository and the implications for performance assessment. Predicted thermohydrology depends on waste package design, and particularly on backfill materials. The coupling between solute concentrations and thermal gradients leads to a prediction of highly variable water chemistry in the near field which is radically different than the initial, undisturbed water chemistry; however, most analyses to date assume that waste package chemistry is approximately the same as initial pore water chemistry. Several alternative, simplified approaches for performance assessment are discussed

  17. AEGIS geologic simulation model

    International Nuclear Information System (INIS)

    Foley, M.G.

    1982-01-01

    The Geologic Simulation Model (GSM) is used by the AEGIS (Assessment of Effectiveness of Geologic Isolation Systems) program at the Pacific Northwest Laboratory to simulate the dynamic geology and hydrology of a geologic nuclear waste repository site over a million-year period following repository closure. The GSM helps to organize geologic/hydrologic data; to focus attention on active natural processes by requiring their simulation; and, through interactive simulation and calibration, to reduce subjective evaluations of the geologic system. During each computer run, the GSM produces a million-year geologic history that is possible for the region and the repository site. In addition, the GSM records in permanent history files everything that occurred during that time span. Statistical analyses of data in the history files of several hundred simulations are used to classify typical evolutionary paths, to establish the probabilities associated with deviations from the typical paths, and to determine which types of perturbations of the geologic/hydrologic system, if any, are most likely to occur. These simulations will be evaluated by geologists familiar with the repository region to determine validity of the results. Perturbed systems that are determined to be the most realistic, within whatever probability limits are established, will be used for the analyses that involve radionuclide transport and dose models. The GSM is designed to be continuously refined and updated. Simulation models are site specific, and, although the submodels may have limited general applicability, the input data equirements necessitate detailed characterization of each site before application

  18. Field Geology/Processes

    Science.gov (United States)

    Allen, Carlton; Jakes, Petr; Jaumann, Ralf; Marshall, John; Moses, Stewart; Ryder, Graham; Saunders, Stephen; Singer, Robert

    1996-01-01

    The field geology/process group examined the basic operations of a terrestrial field geologist and the manner in which these operations could be transferred to a planetary lander. Four basic requirements for robotic field geology were determined: geologic content; surface vision; mobility; and manipulation. Geologic content requires a combination of orbital and descent imaging. Surface vision requirements include range, resolution, stereo, and multispectral imaging. The minimum mobility for useful field geology depends on the scale of orbital imagery. Manipulation requirements include exposing unweathered surfaces, screening samples, and bringing samples in contact with analytical instruments. To support these requirements, several advanced capabilities for future development are recommended. Capabilities include near-infrared reflectance spectroscopy, hyper-spectral imaging, multispectral microscopy, artificial intelligence in support of imaging, x ray diffraction, x ray fluorescence, and rock chipping.

  19. Why Teach Environmental Chemistry?

    Science.gov (United States)

    Gardner, Marjorie H.

    1974-01-01

    Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

  20. Global Journal of Geological Sciences

    African Journals Online (AJOL)

    Global Journal of Geological Sciences is aimed at promoting research in all areas of Geological Sciences including geochemistry, geophysics, engineering geology, hydrogeology, petrology, mineralogy, geochronology, tectonics, mining, structural geology, marine geology, space science etc. Visit the Global Journal Series ...

  1. 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.

  2. Global Journal of Geological Sciences: Editorial Policies

    African Journals Online (AJOL)

    Focus and Scope. Global Journal of Geological Sciences is aimed at promoting research in all areas of geological Sciences including Petrology, Mineralogy, geophysics, hydrogeology, Engineering geology, Petroleum geology, Palaeontology, environmental geology, Economic geology, etc.

  3. Aerospace Medicine

    Science.gov (United States)

    Michaud, Vince

    2015-01-01

    NASA Aerospace Medicine overview - Aerospace Medicine is that specialty area of medicine concerned with the determination and maintenance of the health, safety, and performance of those who fly in the air or in space.

  4. Reconnaissance geologic map of the northern Kawich and southern Reveille ranges, Nye County, Nevada

    International Nuclear Information System (INIS)

    Gardner, J.N.; Eddy, A.C.; Goff, F.E.; Grafft, K.S.

    1980-06-01

    A geological survey was performed in Nye County, Nevada. Results of that survey are summarized in the maps included. The general geology of the area is discussed. Major structures are described. The economics resulting from the mineral exploitation in the area are discussed. The hydrogeology and water chemistry of the area are also discussed

  5. Reconnaissance geologic map of the northern Kawich and southern Reveille ranges, Nye County, Nevada

    Energy Technology Data Exchange (ETDEWEB)

    Gardner, J.N.; Eddy, A.C.; Goff, F.E.; Grafft, K.S.

    1980-06-01

    A geological survey was performed in Nye County, Nevada. Results of that survey are summarized in the maps included. The general geology of the area is discussed. Major structures are described. The economics resulting from the mineral exploitation in the area are discussed. The hydrogeology and water chemistry of the area are also discussed.

  6. Evolution of nuclear medicine: a historical perspective

    International Nuclear Information System (INIS)

    Ahmed, A.; Kamal, S.

    1996-01-01

    The field Nuclear Medicine has Completed its 100 yeas in 1996. Nuclear medicine began with physics, expanded into chemistry and instrumentation, and then greatly influenced various fields of medicine. The chronology of the events that formulated the present status of nuclear medicine involves some of the great pioneers of yesterday like Becquerel, Curie, Joliot, Hevesy, Anger, Berson and Yallow. The field of nuclear medicine has been regarded as the bridge builder between various aspects of health care and within next 20 years, nuclear medicine enters a new age of certainty, in which surgery, radiation and chemotherapy will only be used when a benefit in certain to result from the treatment. (author)

  7. Siting of geological disposal facilities

    International Nuclear Information System (INIS)

    1994-01-01

    Radioactive waste is generated from the production of nuclear energy and from the use of radioactive materials in industrial applications, research and medicine. The importance of safe management of radioactive waste for the protection of human health and the environment has long been recognized and considerable experience has been gained in this field. The Radioactive Waste Safety Standards (RADWASS) programme is the IAEA's contribution to establishing and promoting the basic safety philosophy for radioactive waste management and the steps necessary to ensure its implementation. This Safety Guide defines the process to be used and guidelines to be considered in selecting sites for deep geological disposal of radioactive wastes. It reflects the collective experience of eleven Member States having programmes to dispose of spent fuel, high level and long lived radioactive waste. In addition to the technical factors important to site performance, the Safety Guide also addresses the social, economic and environmental factors to be considered in site selection. 3 refs

  8. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

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

  9. Geological heritage of Morocco

    International Nuclear Information System (INIS)

    Elhadi, H.; Tahiri, A.

    2012-01-01

    Full text: The soil and subsoil of Morocco are rich in geological phenomena that bear the imprint of a history that goes back in time more than 2000 million years. Very many sites geologically remarkable exposed in accessible outcrops, with good quality remain unknown to the general public and therefore deserve to be vulgarized. It is a memory to acquaint to the present generations but also to preserve for future generations. In total, a rich geological heritage in many ways: Varied landscapes, international stratotypes, various geological structures, varied rocks, mineral associations, a huge procession of fossiles, remnants of oceanic crust (ophiolites) among oldests ones in the world (800my), etc... For this geological heritage, an approach of an overall inventory is needed, both regionally and nationally, taking into account all the skills of the earth sciences. This will put the item on the natural (geological) potentialities as a lever for sustainable regional development. For this, it is necessary to implement a strategy of ''geoconservation'' for the preservation and assessment of the geological heritage.

  10. Fundamentals of Structural Geology

    Science.gov (United States)

    Pollard, David D.; Fletcher, Raymond C.

    2005-09-01

    Fundamentals of Structural Geology provides a new framework for the investigation of geological structures by integrating field mapping and mechanical analysis. Assuming a basic knowledge of physical geology, introductory calculus and physics, it emphasizes the observational data, modern mapping technology, principles of continuum mechanics, and the mathematical and computational skills, necessary to quantitatively map, describe, model, and explain deformation in Earth's lithosphere. By starting from the fundamental conservation laws of mass and momentum, the constitutive laws of material behavior, and the kinematic relationships for strain and rate of deformation, the authors demonstrate the relevance of solid and fluid mechanics to structural geology. This book offers a modern quantitative approach to structural geology for advanced students and researchers in structural geology and tectonics. It is supported by a website hosting images from the book, additional colour images, student exercises and MATLAB scripts. Solutions to the exercises are available to instructors. The book integrates field mapping using modern technology with the analysis of structures based on a complete mechanics MATLAB is used to visualize physical fields and analytical results and MATLAB scripts can be downloaded from the website to recreate textbook graphics and enable students to explore their choice of parameters and boundary conditions The supplementary website hosts color images of outcrop photographs used in the text, supplementary color images, and images of textbook figures for classroom presentations The textbook website also includes student exercises designed to instill the fundamental relationships, and to encourage the visualization of the evolution of geological structures; solutions are available to instructors

  11. Water chemistry

    International Nuclear Information System (INIS)

    Hofstetter, K.J.; Baston, V.F.

    1986-01-01

    Prior to the accident, the coolants in the primary and secondary systems were within normal chemistry specifications for an operating pressurized water reactor with once-through steam generators. During and immediately after the accident, additional boric acid and sodium hydroxide were added to the primary coolant for control of criticality and radioiodine solubility. A primary to secondary leak developed contaminating the water in one steam generator. For about 5 years after the accident, the primary coolant was maintained at 3800 +. 100 ppm boron and 1000 +. 100 ppm sodium concentrations. Dissolved oxygen was maintained 7.5, corrosion caused by increased dissolved oxygen levels (up to 8 ppm) and higher chloride ion content (up to 5 ppm) is minimized. Chemical control of dissolved oxygen was discontinued and the coolant was processed. Prior to removal of the reactor vessel head, the boron concentration in the coolant was increased to ≅ 5000 ppm to support future defueling operations. Decontamination of the accident generated water is described in terms of contaminated water management. In addition, the decontamination and chemical lay-up conditions for the secondary system are presented along with an overview of chemical management at TMI-2

  12. Thirteen textbooks of basic chemistry and their treatment of radioactivity

    International Nuclear Information System (INIS)

    Mueller, G.; Navarrete, M.; Martinez, T.; Cabrera, L.

    2009-01-01

    Nuclear chemistry is usually associated with great disasters, especially the atomic bomb; this without reflecting that knowledge of nuclear chemistry has also had many benefits in the field of medicine and health. Whereas in technologically advanced countries, nuclear chemistry is considered to be an important part of the syllabus, including topics such as radioactivity with the emphasis in making conscience in the common citizen of the inherent benefits. (author)

  13. Isotope and Nuclear Chemistry Division annual report, FY 1988

    International Nuclear Information System (INIS)

    1989-06-01

    This report describes some of the major research and development programs of the Isotope and Nuclear Chemistry Division during FY 1988. The report includes articles on weapons chemistry, biochemistry and nuclear medicine, nuclear structure and reactions, and the INC Division facilities and laboratories

  14. Uruguayan South Geology

    International Nuclear Information System (INIS)

    Guillemain, H.

    1980-01-01

    This monograph is about the sedimentary geological formation in the southern of Uruguay. According to the previous Gondwana studies there are several concordances between the Uruguayan and Brazilian ground.

  15. Iowa Geologic Sampling Points

    Data.gov (United States)

    Iowa State University GIS Support and Research Facility — Point locations of geologic samples/files in the IGS repository. Types of samples include well cuttings, outcrop samples, cores, drillers logs, measured sections,...

  16. Iowa Bedrock Geology

    Data.gov (United States)

    Iowa State University GIS Support and Research Facility — The bedrock geologic map portrays the current interpretation of the distribution of various bedrock stratigraphic units present at the bedrock surface. The bedrock...

  17. Nuclear medicine

    International Nuclear Information System (INIS)

    Lentle, B.C.

    1986-01-01

    Several growth areas for nuclear medicine were defined. Among them were: cardiac nuclear medicine, neuro-psychiatric nuclear medicine, and cancer diagnosis through direct tumor imaging. A powerful new tool, Positron Emission Tomography (PET) was lauded as the impetus for new developments in nuclear medicine. The political environment (funding, degree of autonomy) was discussed, as were the economic and scientific environments

  18. Diverse applications of radiation chemistry

    International Nuclear Information System (INIS)

    Cooper, R.

    1998-01-01

    Radiation chemistry began as early radiotherapists needed a reliable and appropriate dosimeter. The iron sulphate dosimeter, using ferrous iron in sulphuric acid and oxidation by irradiation, was a nasty brew of chemicals but it was sensitive, reliable and conveniently had the same density as human tissue. Water irradiation chemistry studies were driven by the need to understand the fundamental processes in radiotherapy; to control the corrosion problems in the cooling/ heat exchange systems of nuclear reactors and to find stable solvents and reagents for use in spent fuel element processing. The electrical and mechanical stability of materials in high radiation fields stimulated the attention of radiation chemists to the study of defects in solids. The coupled use of radiation and Electron Spin Resonance (ESR) enabled the identity of defect structures to be probed. This research led to the development of the sensitive Thermoluminescent Dosimeters, TLD's and a technique for dating of archaeological pottery artefacts. Radiation chemistry in the area of medicine is very active with fundamental studies of the mechanism of DNA strand breakage and the development of radiation sensitisers and protectors for therapeutic purposes. The major area of polymer radiation chemistry is one which Australia commands great international respect

  19. 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

  20. Thermoluminescence studies in geology

    International Nuclear Information System (INIS)

    Sankaran, A.V.; Sunta, C.M.; Nambi, K.S.V.; Bapat, V.N.

    1980-01-01

    Even though the phenomenon of thermoluminescence is well studied, particularly over last 3 decades, its potentialities in the field of geology have not been adequately evaluated. In this report several useful applications of TL in mineralogy, petrogenesis, stratigraphy, tectonics, ore-prospecting and other branches have been identified with particular emphasis to the Indian scene. Important areas in the country that may provide the basic material for such studies are indicated at the end along with brief geological or mineralogical accounts. (auth.)

  1. Advances in planetary geology

    International Nuclear Information System (INIS)

    1987-06-01

    The surface of Mars displays a broad range of channel and valley features. There is as great a range in morphology as in scale. Some of the features of Martian geography are examined. Geomorphic mapping, crater counts on selected surfaces, and a detailed study of drainage basins are used to trace the geologic evolution of the Margaritifer Sinus Quandrangle. The layered deposits in the Valles Marineris are described in detail and the geologic processes that could have led to their formation are analyzed

  2. Heart failure - medicines

    Science.gov (United States)

    CHF - medicines; Congestive heart failure - medicines; Cardiomyopathy - medicines; HF - medicines ... You will need to take most of your heart failure medicines every day. Some medicines are taken ...

  3. Integrative medicine is a future medicine

    International Nuclear Information System (INIS)

    Samosyuk, I.Z.; Chukhraev, N.V.

    2001-01-01

    An analysis is given of the modern integrative medicine basis which is the synthesis of: 1. Theology, philosophy and sociology; 2. Physico-mathematical sciences, cybernetics, chemistry and astrology; 3. Medico-biological and clinical experience; 4. Traditional and scientific medicine; 5. Use of traditional and new medical technologies. Problems of 'holistic' medicine which considers Man as a unity of biological, emotional, psychological and social phenomena are exposed. Advantages in combining the drug therapy with modern physiotherapy and physioacupuncture methods seem to be obvious. All visible effects of a disease can de represented in the following forms of changes: information-energy - biochemical - ultrastructure - tissue - clinical diseases. Self-regulation of functional systems has a multilevel structure and needs application of different methods for body recovery. Short-wave irradiation (lasers, magnetotherapy) can be used for energy restoration in functional systems or meridians, and acupuncture plays the role of a 'trigger' which activises the body recovery. Integration of Western and Oriental medicines is the way for achieving the qualitative new level of health protection

  4. Advanced bioanalytics for precision medicine.

    Science.gov (United States)

    Roda, Aldo; Michelini, Elisa; Caliceti, Cristiana; Guardigli, Massimo; Mirasoli, Mara; Simoni, Patrizia

    2018-01-01

    Precision medicine is a new paradigm that combines diagnostic, imaging, and analytical tools to produce accurate diagnoses and therapeutic interventions tailored to the individual patient. This approach stands in contrast to the traditional "one size fits all" concept, according to which researchers develop disease treatments and preventions for an "average" patient without considering individual differences. The "one size fits all" concept has led to many ineffective or inappropriate treatments, especially for pathologies such as Alzheimer's disease and cancer. Now, precision medicine is receiving massive funding in many countries, thanks to its social and economic potential in terms of improved disease prevention, diagnosis, and therapy. Bioanalytical chemistry is critical to precision medicine. This is because identifying an appropriate tailored therapy requires researchers to collect and analyze information on each patient's specific molecular biomarkers (e.g., proteins, nucleic acids, and metabolites). In other words, precision diagnostics is not possible without precise bioanalytical chemistry. This Trend article highlights some of the most recent advances, including massive analysis of multilayer omics, and new imaging technique applications suitable for implementing precision medicine. Graphical abstract Precision medicine combines bioanalytical chemistry, molecular diagnostics, and imaging tools for performing accurate diagnoses and selecting optimal therapies for each patient.

  5. From hot atom chemistry to epithermal chemistry

    International Nuclear Information System (INIS)

    Roessler, K.

    2004-01-01

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

  6. Lunar and Planetary Geology

    Science.gov (United States)

    Basilevsky, Alexander T.

    2018-05-01

    Lunar and planetary geology can be described using examples such as the geology of Earth (as the reference case) and geologies of the Earth's satellite the Moon; the planets Mercury, Mars and Venus; the satellite of Saturn Enceladus; the small stony asteroid Eros; and the nucleus of the comet 67P Churyumov-Gerasimenko. Each body considered is illustrated by its global view, with information given as to its position in the solar system, size, surface, environment including gravity acceleration and properties of its atmosphere if it is present, typical landforms and processes forming them, materials composing these landforms, information on internal structure of the body, stages of its geologic evolution in the form of stratigraphic scale, and estimates of the absolute ages of the stratigraphic units. Information about one body may be applied to another body and this, in particular, has led to the discovery of the existence of heavy "meteoritic" bombardment in the early history of the solar system, which should also significantly affect Earth. It has been shown that volcanism and large-scale tectonics may have not only been an internal source of energy in the form of radiogenic decay of potassium, uranium and thorium, but also an external source in the form of gravity tugging caused by attractions of the neighboring bodies. The knowledge gained by lunar and planetary geology is important for planning and managing space missions and for the practical exploration of other bodies of the solar system and establishing manned outposts on them.

  7. Geology at Yucca Mountain

    International Nuclear Information System (INIS)

    Anon.

    1993-01-01

    Both advocates and critics disagree on the significance and interpretation of critical geological features which bear on the safety and suitability of Yucca Mountain as a site for the construction of a high-level radioactive waste repository. Critics believe that there is sufficient geological evidence to rule the site unsuitable for further investigation. Some advocates claim that there is insufficient data and that investigations are incomplete, while others claim that the site is free of major obstacles. We have expanded our efforts to include both the critical evaluations of existing geological and geochemical data and the collection of field data and samples for the purpose of preparing scientific papers for submittal to journals. Summaries of the critical reviews are presented in this paper

  8. 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.

  9. 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.

  10. Geological Corrections in Gravimetry

    Science.gov (United States)

    Mikuška, J.; Marušiak, I.

    2015-12-01

    Applying corrections for the known geology to gravity data can be traced back into the first quarter of the 20th century. Later on, mostly in areas with sedimentary cover, at local and regional scales, the correction known as gravity stripping has been in use since the mid 1960s, provided that there was enough geological information. Stripping at regional to global scales became possible after releasing the CRUST 2.0 and later CRUST 1.0 models in the years 2000 and 2013, respectively. Especially the later model provides quite a new view on the relevant geometries and on the topographic and crustal densities as well as on the crust/mantle density contrast. Thus, the isostatic corrections, which have been often used in the past, can now be replaced by procedures working with an independent information interpreted primarily from seismic studies. We have developed software for performing geological corrections in space domain, based on a-priori geometry and density grids which can be of either rectangular or spherical/ellipsoidal types with cells of the shapes of rectangles, tesseroids or triangles. It enables us to calculate the required gravitational effects not only in the form of surface maps or profiles but, for instance, also along vertical lines, which can shed some additional light on the nature of the geological correction. The software can work at a variety of scales and considers the input information to an optional distance from the calculation point up to the antipodes. Our main objective is to treat geological correction as an alternative to accounting for the topography with varying densities since the bottoms of the topographic masses, namely the geoid or ellipsoid, generally do not represent geological boundaries. As well we would like to call attention to the possible distortions of the corrected gravity anomalies. This work was supported by the Slovak Research and Development Agency under the contract APVV-0827-12.

  11. Diabetes Medicines

    Science.gov (United States)

    Diabetes means your blood glucose, or blood sugar, levels are too high. If you can't control your diabetes with wise food choices and physical activity, you may need diabetes medicines. The kind of medicine you take depends ...

  12. Herbal Medicine

    Science.gov (United States)

    ... used for its scent, flavor, or therapeutic properties. Herbal medicines are one type of dietary supplement. They are ... extracts, and fresh or dried plants. People use herbal medicines to try to maintain or improve their health. ...

  13. Heterogenous phase as a mean in combinatorial chemistry

    International Nuclear Information System (INIS)

    Abdel-Hamid, S.G.

    2007-01-01

    Combinatorial chemistry is a rapid and inexpensive technique for the synthesis of hundreds of thousands of organic compounds of potential medicinal activity. In the past few decades a large number of combinatorial libraries have been constructed, and significantly supplement the chemical diversity of the traditional collections of the potentially active medicinal compounds. Solid phase synthesis was used to enrich the combinatorial chemistry libraries, through the use of solid supports (resins) and their modified forms. Most of the new libraries of compounds appeared recently, were synthesized by the use of solid-phase. Solid-phase combinatorial chemistry (SPCC) is now considered as an outstanding branch in pharmaceutical chemistry research and used extensively as a tool for drug discovery within the context of high-throughput chemical synthesis. The best pure libraries synthesized by the use of solid phase combinatorial chemistry (SPCC) may well be those of intermediate complexity that are free of artifact-causing nuisance compounds. (author)

  14. Surveys of research in the Chemistry Division, Argonne National Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Grazis, B.M. [ed.

    1992-11-01

    Research reports are presented on reactive intermediates in condensed phase (radiation chemistry, photochemistry), electron transfer and energy conversion, photosynthesis and solar energy conversion, metal cluster chemistry, chemical dynamics in gas phase, photoionization-photoelectrons, characterization and reactivity of coal and coal macerals, premium coal sample program, chemical separations, heavy elements coordination chemistry, heavy elements photophysics/photochemistry, f-electron interactions, radiation chemistry of high-level wastes (gas generation in waste tanks), ultrafast molecular electronic devices, and nuclear medicine. Separate abstracts have been prepared. Accelerator activites and computer system/network services are also reported.

  15. Surveys of research in the Chemistry Division, Argonne National Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Grazis, B.M. (ed.)

    1992-01-01

    Research reports are presented on reactive intermediates in condensed phase (radiation chemistry, photochemistry), electron transfer and energy conversion, photosynthesis and solar energy conversion, metal cluster chemistry, chemical dynamics in gas phase, photoionization-photoelectrons, characterization and reactivity of coal and coal macerals, premium coal sample program, chemical separations, heavy elements coordination chemistry, heavy elements photophysics/photochemistry, f-electron interactions, radiation chemistry of high-level wastes (gas generation in waste tanks), ultrafast molecular electronic devices, and nuclear medicine. Separate abstracts have been prepared. Accelerator activites and computer system/network services are also reported.

  16. Folk Medicine

    Science.gov (United States)

    ... lead’s effects on health. How to tell if herbal medicines or folk medicines contain lead You only can ... as high as 90%. Ghasard, an Indian folk medicine, has also been found to contain lead. It is a brown powder used as a tonic. Ba-baw-san is a Chinese herbal remedy that contains lead. It is used to ...

  17. Advanced Chemistry Laboratory

    Data.gov (United States)

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

  18. Electrostatics in Chemistry

    Indian Academy of Sciences (India)

    fundamental concepts of electrostatics as applied to atoms and molecules. The electric ... chemistry, the chemistry of the covalent bond, deals with the structures ..... the position of an asteroid named Ceres ... World Scientific. Singapore, 1992.

  19. Medicinal gold compounds

    International Nuclear Information System (INIS)

    Parish, R.V.; Cottrill, S.M.

    1987-01-01

    A major use of gold compounds in the pharmaceutical industry is for anti-arthritic agents. The disease itself is not understood and little is known about the way in which the drugs act, but detailed pictures of the distribution of gold in the body are available, and some of the relevant biochemistry is beginning to emerge. The purpose of this article is to give a survey of the types of compounds presently employed in medicine, of the distribution of gold in the body which results from their use, and of some relevant chemistry. Emphasis is placed on results obtained in the last few years

  20. Geological disposal of high-level radioactive waste and geological environment in Japan

    International Nuclear Information System (INIS)

    Shimizu, Kazuhiko; Seo, Toshihiro; Yshida, Hidekazu

    2001-01-01

    The geological environment has two main functions in terms of ensuring the safety of geological disposal of high-level radioactive waste. One relates to the fundamental long-term stability of the site and the other to the properties of the host rock formations and groundwaters which facilitate the emplacement of the engineered barrier system and act as a natural barrier. In this connection, the feasibility of selecting a geological environment in Japan which is appropriate for geological disposal was discussed, based on findings obtained from case studies and field measurements. Considering long-term stability of the site, it is important to understand the effects and spatial distributions of the natural phenomena such as fault movement, volcanic activity, uplift/denudation and climatic/sea-level changes. Fault movement and volcanic activity are relatively localized phenomena, and can be avoided by considering only areas that are sufficiently remote from existing volcanoes and major active faults for these phenomena to have a negligible probability of causing significant effects. Uplift/denudation and climatic/sea-level changes are gradual phenomena and are more ubiquitous. It is, nevertheless, possible to estimate future trends by extrapolating the past changes into the future, and then to identify areas that may not be affected significantly by such phenomena. Considering the properties of the host rocks and groundwaters, it can be understood, from the presently available data, that deep groundwater in Japan generally flows slowly and its chemistry is in a reduced state. The data also suggest that deep rock masses, where the ground temperature is acceptably low and the rock pressure is almost homogeneous, are widely located throughout Japan. Based on the examination of the geological environment in Japan, it is possible to discuss the requirements for the geological environment to be considered and the investigations to be performed during the site selection

  1. Public perceptions of geology

    Science.gov (United States)

    Gibson, Hazel; Stewart, Iain; Anderson, Mark; Pahl, Sabine; Stokes, Alison

    2014-05-01

    Geological issues are increasingly intruding on the everyday lives of ordinary people. Whether it be onshore exploration and extraction of oil and gas, deep injection of water for geothermal power or underground storage of carbon dioxide and radioactive waste, many communities across Europe are being faced with potentially contested geological activity under their backyard. As well as being able to communicate the technical aspects of such work, geoscience professionals also need to appreciate that for most people the subsurface is an unfamiliar realm. In order to engage communities and individuals in effective dialogue about geological activities, an appreciation of what 'the public' already know and what they want to know is needed, but this is a subject that is in its infancy. In an attempt to provide insight into these key issues, this study examines the concerns the public have, relating to geology, by constructing 'Mental Models' of people's perceptions of the subsurface. General recommendations for public engagement strategies will be presented based on the results of selected case studies; specifically expert and non-expert mental models for communities in the south-west of England.

  2. Geology and land use

    Science.gov (United States)

    Brown, R.D.

    1990-01-01

    Geologists' eyes are trained to find and trace such natural landmarks as flood plains, landslide scars, retreating shoreline bluffs, or surface traces of active earthquake faults. more and more often, in developing areas, we find these obvious signs of trouble being erased by urban development. A geological hazard concealed by landscaping or hosing is fully as dangerous as when it is visible.

  3. Geology of Venus

    International Nuclear Information System (INIS)

    Basilevsky, A.T.; Head, J.W. III.

    1988-01-01

    This paper summarizes the emerging picture of the surface of Venus provided by high-resolution earth-based radar telescopes and orbital radar altimetry and imaging systems. The nature and significance of the geological processes operating there are considered. The types of information needed to complete the picture are addressed. 71 references

  4. Geological impacts on nutrition

    Science.gov (United States)

    This chapter reviews the nutritional roles of mineral elements, as part of a volume on health implications of geology. The chapter addresses the absorption and post-absorptive utilization of the nutritionally essential minerals, including their physiological functions and quantitative requirements....

  5. Research on geological disposal

    International Nuclear Information System (INIS)

    Uchida, Masahiro

    2011-01-01

    The aims of this research are to develop criteria for reviewing acceptability of the adequacy of the result of Preliminary and Detailed Investigations submitted by the implementor, and to establish a basic policy to secure safety for safety review. In FY 2010, 13 geology/climate related events for development of acceptance criteria for reviewing the adequacy of the result of Preliminary and Detailed Investigations were extracted. And the accuracy of geophysical exploration methods necessary for the Preliminary Investigation was evaluated. Regarding the research for safety review, we developed an idea of safety concept of Japanese geological disposal, and analyzed basic safety functions to secure safety. In order to verify the groundwater flow evaluation methods developed in regulatory research, the hydrological and geochemical data at Horonobe, northern Hokkaido were obtained, and simulated result of regional groundwater flow were compared with measured data. And we developed the safety scenario of geology/climate related events categorized by geological and geomorphological properties. Also we created a system to check the quality of research results in Japan and other countries in order to utilize for safety regulation, and developed a database system to compile them. (author)

  6. Geological history of uranium

    International Nuclear Information System (INIS)

    Niini, Heikki

    1989-01-01

    Uranium is widely distributed in continental geological environments. The order of magnitude of uranium abundance in felsitic igneous rocks is 2-15 ppm, whereas it is less than 1 ppm in mafic rocks. Sedimentary rocks show a large range: from less than 0.1 ppm U in certain evaporites to over 100 ppm in phosphate rocks and organogenic matter. The content of U in seawater varies from 0.0005 to 0.005 ppm. The isotopic ratio U-238/U-235 is presently 137.5+-0.5, having gradually increased during geological time. The third natural isotope is U-234. On the basis of three fundamental economic criteria for ore reserves assessment (geological assurance, technical feasibility, and the grade and quantity of the deposits), the author finally comes to the following conclusions: Although the global uranium ores are not geologically renewable but continuously mined, they still, due to exploration and technical development, will tend to progressively increase for centuries to come

  7. Canadian geologic isolation program

    International Nuclear Information System (INIS)

    Dyne, P.J.

    1976-01-01

    The Canadian geologic isolation program is directed at examining the potential of (1) salt deposits and (2) hard rock as repositories for radioactive wastes. It was felt essential from the inception that alternative host rocks be evaluated over a fairly large geographical area. The studies on salt deposits to date are based on existing geological information and have identified the areas that show some potential and merit further study. The factors considered include depth, thickness and purity of the deposit, overlying aquifers, and the potential for gas and oil exploration as well as potash recovery. The studies on hard rock are restricted to plutonic igneous rocks in the Ontario part of the Canadian Shield. Because geological information on their nature and extent is sparse, the study is limited to bodies that are well exposed and for which information is available.for which information is available. Field studies in the next two seasons are aimed at mapping the fault and joint patterns and defining the geologic controls on their development. In 1977 and 1978, two or three of the more favorable sites will be mapped in greater detail, and an exploratory drilling program will be established to determine the extent of fracturing at depth and the hydrology of these fractures. Conceptual designs of mined repositories in hard rock are also being made with the hope of identifying, at an early stage in this program, special problems in hard-rock repositories that may require development and study

  8. Preparative radiation chemistry

    International Nuclear Information System (INIS)

    Drawe, H.

    1978-01-01

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

  9. USSR Report Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

    THIS REPORT CONTAINS FOREIGN MEDIA INFORMATION FROM THE USSR CONCERNING Adsorption, Alkaloids, ANALYTICAL CHEMISTRY, CATALYSIS, ELECTROCHEMISTRY, Fertilizers, INORGANIC COMPOUNDS, ORGANOPHOSPHOROUS...

  10. Organic chemistry experiment

    International Nuclear Information System (INIS)

    Mun, Seok Sik

    2005-02-01

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

  11. Analytical chemistry instrumentation

    International Nuclear Information System (INIS)

    Laing, W.R.

    1986-01-01

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

  12. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Majer, V.

    1982-01-01

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

  13. Geological data integration techniques

    International Nuclear Information System (INIS)

    1988-09-01

    The objectives of this Technical Committee are to bring together current knowledge on geological data handling and analysis technologies as developed in the mineral and petroleum industries for geological, geophysical, geochemical and remote sensing data that can be applied to uranium exploration and resource appraisal. The recommendation for work on this topic was first made at the meeting of the NEA-IAEA Joint Group of Experts on R and D in Uranium Exploration Techniques (Paris, May 1984). In their report, processing of integrated data sets was considered to be extremely important in view of the very extensive data sets built up over the recent years by large uranium reconnaissance programmes. With the development of large, multidisciplinary data sets which includes geochemical, geophysical, geological and remote sensing data, the ability of the geologist to easily interpret large volumes of information has been largely the result of developments in the field of computer science in the past decade. Advances in data management systems, image processing software, the size and speed of computer systems and significantly reduced processing costs have made large data set integration and analysis practical and affordable. The combined signatures which can be obtained from the different types of data significantly enhance the geologists ability to interpret fundamental geological properties thereby improving the chances of finding a significant ore body. This volume is the product of one of a number of activities related to uranium geology and exploration during the past few years with the intent of bringing new technologies and exploration techniques to the IAEA Member States

  14. Physics, radiology and chemistry. 6. rev. ed.

    International Nuclear Information System (INIS)

    Linde, O.K.; Knigge, H.J.

    1981-01-01

    The scientific basic disciplines of physics and chemistry are the beginning of all medical teaching. They are suitable to clarify medical and biochemical problems in their causality by means of their own thinking methodics as well as by the information provided. This book attempts to point out the relationships of physics, radiology and chemistry to neighbouring disciplines, especially to practical medicine. Greater importance must naturally be given here to the examples of individual fundamental facts than to the conveying of pure theory from books. The statements and questions on self control ordered according to chapter represent a minimum learning for the students which can be extended as required. (orig./ORU) [de

  15. Isotope and nuclear chemistry division. Annual report, FY 1987. Progress report, October 1986-September 1987

    International Nuclear Information System (INIS)

    Barr, D.W.; Heiken, J.H.

    1988-05-01

    This report describes progress in the major research and development programs carried out in FY 1987 by the Isotope and Nuclear Chemistry Division. The report includes articles on radiochemical weapons diagnostics and research and development; other unclassified weapons research; stable and radioactive isotope production and separation; chemical biology and nuclear medicine; element and isotope transport and fixation; actinide and transition metal chemistry; structural chemistry, spectroscopy, and applications; nuclear structure and reactions; irradiation facilities; advanced concepts and technology; and atmospheric chemistry

  16. American Association for Clinical Chemistry

    Science.gov (United States)

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

  17. Selected water-resources activities of the U.S. Geological Survey in New England in 2017

    Science.gov (United States)

    Weiskel, Peter K.

    2017-06-22

    The New England Water Science Center of the U.S. Geological Survey (USGS) is headquartered in Pembroke, New Hampshire, with offices in East Hartford, Connecticut; Augusta, Maine; Northborough, Massachusetts; and Montpelier, Vermont. The areas of expertise covered by the water science center’s staff of 130 include aquatic biology, chemistry, geographic information systems, geology, hydrologic sciences and engineering, and water use.

  18. Use Medicines Safely

    Science.gov (United States)

    ... Prescription Medicines 1 of 7 sections The Basics: Prescription Medicines There are different types of medicine. The 2 ... medicine are prescription and over-the-counter (OTC). Prescription medicines Prescription medicines are medicines you can get only ...

  19. Geoethics and Forensic Geology

    Science.gov (United States)

    Donnelly, Laurance

    2017-04-01

    The International Union of Geological Sciences (IUGS), Initiative on Forensic Geology (IFG) was set up in 2011 to promote and develop the applications of geology to policing and law enforcement throughout the world. This includes the provision of crime scene examinations, searches to locate graves or items of interest that have been buried beneath the ground surface as part of a criminal act and geological trace analysis and evidence. Forensic geologists may assist the police and law enforcement in a range of ways including for example; homicide, sexual assaults, counter terrorism, kidnapping, humanitarian incidents, environmental crimes, precious minerals theft, fakes and fraudulent crimes. The objective of this paper is to consider the geoethical aspects of forensic geology. This includes both delivery to research and teaching, and contribution to the practical applications of forensic geology in case work. The case examples cited are based on the personal experiences of the authors. Often, the technical and scientific aspect of forensic geology investigation may be the most straightforward, after all, this is what the forensic geologist has been trained to do. The associated geoethical issues can be the most challenging and complex to manage. Generally, forensic geologists are driven to carry-out their research or case work with integrity, honesty and in a manner that is law abiding, professional, socially acceptable and highly responsible. This is necessary in advising law enforcement organisations, society and the scientific community that they represent. As the science of forensic geology begins to advance around the world it is desirable to establish a standard set of principles, values and to provide an agreed ethical a framework. But what are these core values? Who is responsible for producing these? How may these become enforced? What happens when geoethical standards are breached? This paper does not attempt to provide all of the answers, as further work

  20. The New Color of Chemistry: Green Chemistry

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK

    2012-01-01

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

  1. Development of Geography and Geology Terminology in British Sign Language

    Science.gov (United States)

    Meara, Rhian; Cameron, Audrey; Quinn, Gary; O'Neill, Rachel

    2016-04-01

    The BSL Glossary Project, run by the Scottish Sensory Centre at the University of Edinburgh focuses on developing scientific terminology in British Sign Language for use in the primary, secondary and tertiary education of deaf and hard of hearing students within the UK. Thus far, the project has developed 850 new signs and definitions covering Chemistry, Physics, Biology, Astronomy and Mathematics. The project has also translated examinations into BSL for students across Scotland. The current phase of the project has focused on developing terminology for Geography and Geology subjects. More than 189 new signs have been developed in these subjects including weather, rivers, maps, natural hazards and Geographical Information Systems. The signs were developed by a focus group with expertise in Geography and Geology, Chemistry, Ecology, BSL Linguistics and Deaf Education all of whom are deaf fluent BSL users.

  2. Surface chemistry essentials

    CERN Document Server

    Birdi, K S

    2013-01-01

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

  3. Fundamentals of reactor chemistry

    International Nuclear Information System (INIS)

    Akatsu, Eiko

    1981-12-01

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

  4. Advanced radiation chemistry research: Current status

    International Nuclear Information System (INIS)

    1995-10-01

    Radiation chemistry is a branch of chemistry that studies chemical transformations in materials exposed to high-energy radiations. It is based on the use of ionizing radiation as the initiator or catalyst in chemical reactions. The most significant advantage of radiation chemistry lies in its ability to be used in the production and study of almost any reactive atomic and molecular species playing a part in chemical reaction, synthesis, industrial processes, or in biological systems. Over the the last few years a number of meetings have taken place, under the auspices of the IAEA, in order to evaluate recent developments in radiation chemistry as well as the trends indicated by the results obtained. Radiation chemists from different countries have participated at these meetings. The present publication, a companion to the previous publication - New Trends and Development in Radiation Chemistry, IAEA-TECDOC-527 (1989) - includes some of the important contributions presented at these meetings. It is hoped that it will provide a useful overview of current activities and of emerging trends in this field, thus promoting better understanding of potential contributions of radiation chemistry to other fields of knowledge as well as to practical applications in industry, medicine and agriculture. Refs, figs and tabs

  5. Advanced radiation chemistry research: Current status

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-10-01

    Radiation chemistry is a branch of chemistry that studies chemical transformations in materials exposed to high-energy radiations. It is based on the use of ionizing radiation as the initiator or catalyst in chemical reactions. The most significant advantage of radiation chemistry lies in its ability to be used in the production and study of almost any reactive atomic and molecular species playing a part in chemical reaction, synthesis, industrial processes, or in biological systems. Over the the last few years a number of meetings have taken place, under the auspices of the IAEA, in order to evaluate recent developments in radiation chemistry as well as the trends indicated by the results obtained. Radiation chemists from different countries have participated at these meetings. The present publication, a companion to the previous publication - New Trends and Development in Radiation Chemistry, IAEA-TECDOC-527 (1989) - includes some of the important contributions presented at these meetings. It is hoped that it will provide a useful overview of current activities and of emerging trends in this field, thus promoting better understanding of potential contributions of radiation chemistry to other fields of knowledge as well as to practical applications in industry, medicine and agriculture. Refs, figs and tabs.

  6. 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)

  7. 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)

  8. Fundamentals of nuclear chemistry

    International Nuclear Information System (INIS)

    Matel, L.; Dulanska, S.

    2013-01-01

    This text-book is an introductory text in nuclear chemistry and radiochemistry, aimed on university undergraduate students in chemistry and related disciplines (physics, nuclear engineering). It covers the key aspects of modern nuclear chemistry. The text begins with basic theories in contemporary physics. It relates nuclear phenomena to key divisions of chemistry such as atomic structure, spectroscopy, equilibria and kinetics. It also gives an introduction to sources of ionizing radiation, detection of ionizing radiation, nuclear power industry and accident on nuclear installations as well as basic knowledge's of radiobiology. This book is essential reading for those taking a first course in nuclear chemistry and is a useful companion to other volumes in physical and analytical chemistry. It will also be of use to those new to working in nuclear chemistry or radiochemistry.

  9. Engineering geology and environmental protection

    Energy Technology Data Exchange (ETDEWEB)

    Sergeev, E M

    1979-01-01

    A classification is made of the anthropogenic processes in the environment into global, local, universally distributed, zonal, regional, and essentially local processes. Engineering geology is defined as the principal science concerned with the study of the geological medium which in turn involves the study of fossil fuel geology. 22 references.

  10. 77 FR 19032 - Geological Survey

    Science.gov (United States)

    2012-03-29

    ... DEPARTMENT OF THE INTERIOR Geological Survey Announcement of National Geospatial Advisory Committee Meeting AGENCY: U.S. Geological Survey, Interior. ACTION: Notice of meeting. SUMMARY: The National.... Geological Survey (703-648-6283, [email protected] ). Registrations are due by April 13, 2012. While the...

  11. Geology summary of Waste Area Grouping 5 at Oak Ridge National Laboratory, Oak Ridge, Tennessee

    International Nuclear Information System (INIS)

    Anderson, J.E.

    1996-08-01

    During FY 1994, three multiport wells were installed in Waste Area Grouping (WAG) 5. The wells were instrumented with Westbay multiport systems. The purpose of the wells is (1) to characterize different flow systems and (2) to monitor for contaminants. The geology of the individual boreholes (WAG 5-12, WAG 5-13, WAG 5-14) is documented in Bechtel National, Inc., (BNI) et al. (1994). The Bechtel report does not explicitly show geologic relationships between these boreholes or integrate this information into the geology of WAG 5. The purpose of this report is to document and present a summary of the distribution of geologic formations in WAG 5. This information is presented in several ways: (1) stratigraphic correlation diagrams based on the natural gamma ray log, (2) geologic cross sections, and (3) a geologic map. This work provides a reference frame for interpreting flow, water, and contaminant chemistry data from multiport wells

  12. Introduction to ore geology

    International Nuclear Information System (INIS)

    Evans, A.M.

    1987-01-01

    This textbook on ore geology is for second and third year undergraduates and closely parallels the undergraduate course given in this subject at England's University of Leicester. The volume covers three major areas: (1) principles of ore geology, (2) examples of the most important types of ore deposits, and (3) mineralization in space and time. Many chapters have been thoroughly revised for this edition and a chapter on diamonds has been added. Chapters on greisen and pegmatite have also been added, the former in response to the changing situation in tin mining following the recent tin crisis, and the latter in response to suggestions from geologists in a number of overseas countries. Some chapters have been considerably expanded and new sections added, including disseminated gold deposits and unconformity-associated uranium deposits. The author also expands on the importance of viewing mineral deposits from an economic standpoint

  13. Geologic Field Database

    Directory of Open Access Journals (Sweden)

    Katarina Hribernik

    2002-12-01

    Full Text Available The purpose of the paper is to present the field data relational database, which was compiled from data, gathered during thirty years of fieldwork on the Basic Geologic Map of Slovenia in scale1:100.000. The database was created using MS Access software. The MS Access environment ensures its stability and effective operation despite changing, searching, and updating the data. It also enables faster and easier user-friendly access to the field data. Last but not least, in the long-term, with the data transferred into the GISenvironment, it will provide the basis for the sound geologic information system that will satisfy a broad spectrum of geologists’ needs.

  14. Nuclear medicine

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, S M [Bhabha Atomic Research Centre, Bombay (India). Radiation Medicine Centre

    1967-01-01

    The article deals with the growth of nuclear medicine in India. Radiopharmaceuticals both in elemental form and radiolabelled compounds became commercially available in India in 1961. Objectives and educational efforts of the Radiation Medicine Centre setup in Bombay are mentioned. In vivo tests of nuclear medicine such as imaging procedures, dynamic studies, dilution studies, thyroid function studies, renal function studies, linear function studies, blood flow, and absorption studies are reported. Techniques of radioimmunoassay are also mentioned.

  15. Nuclear chemistry in the traditional chemistry program

    International Nuclear Information System (INIS)

    Kleppinger, E.W.

    1993-01-01

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

  16. The New Color of Chemistry: Green Chemistry

    OpenAIRE

    Zuhal GERÇEK

    2012-01-01

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

  17. Research on geological disposal

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-08-15

    The aims of this research are to develop criteria for reviewing reliability and suitability of the result from Preliminary Investigations to be submitted by the implementer, and to establish a basic policy for safety review. For development of reliability and suitability criteria for reviewing the result of Preliminary Investigations, we evaluated the uncertainties and their influence from limited amount of investigations, as well as we identified important procedures during investigations and constructions of models, as follows: (1) uncertainties after limited amount of geological exploration and drilling, (2) influence of uncertainties in regional groundwater flow model, (3) uncertainties of DFN (Discrete Fracture Network) models in the fractured rock, (4) analyzed investigation methods described in implementer's report, and (5) identified important aspects in investigation which need to be reviewed and follow QA (Quality Assurance). For development of reliability and suitability criteria for reviewing the result of Detailed Investigations, we analyzed important aspects in investigation which supplies data to design and safety assessment, as well as studied the applicability of pressure interference data during excavation to verify hydrogeological model. Regarding the research for safety review, uncertainties of geologic process in long time-scale was studied. In FY2012, we started to evaluate the structural stabilities of concrete and bentonite in disposal environment. Finally, we continued to accumulate the knowledge on geological disposal into the database system. (author)

  18. Geological remote sensing

    Science.gov (United States)

    Bishop, Charlotte; Rivard, Benoit; de Souza Filho, Carlos; van der Meer, Freek

    2018-02-01

    Geology is defined as the 'study of the planet Earth - the materials of which it is made, the processes that act on these materials, the products formed, and the history of the planet and its life forms since its origin' (Bates and Jackson, 1976). Remote sensing has seen a number of variable definitions such as those by Sabins and Lillesand and Kiefer in their respective textbooks (Sabins, 1996; Lillesand and Kiefer, 2000). Floyd Sabins (Sabins, 1996) defined it as 'the science of acquiring, processing and interpreting images that record the interaction between electromagnetic energy and matter' while Lillesand and Kiefer (Lillesand and Kiefer, 2000) defined it as 'the science and art of obtaining information about an object, area, or phenomenon through the analysis of data acquired by a device that is not in contact with the object, area, or phenomenon under investigation'. Thus Geological Remote Sensing can be considered the study of, not just Earth given the breadth of work undertaken in planetary science, geological features and surfaces and their interaction with the electromagnetic spectrum using technology that is not in direct contact with the features of interest.

  19. Geologic sources of energy

    Science.gov (United States)

    Bundtzen, Thomas K.; Nokleberg, Warren J.; Bundtzen, Thomas K.; Nokleberg, Warren J.; Price, Raymond A.; Scholl, David W.; Stone, David B.

    2017-01-01

    This chapter describes the exploration, development, and geologic setting of petroleum resources (including tar sands), coal resources (including coalbed methane), and geothermal energy resources of the Northern Cordillera.For petroleum resources, the chapter describes: (1) the history of petroleum development and production, first for Alaska and then for the Canadian Cordillera; and (2) generalized basin analysis geologic settings for the six major petroleum basins that are illustrated in summary maps and cross sections. Subsequent sections of the chapter describe the nature and geologic setting of tar sand resources, geothermal energy resources, and coal resources. The area distribution of the energy resources of the region are depicted in the Energy Resources Map that has multiple layers that can be displayed in various arrangements. Employing this map in a separate window while reading the text will be greatly beneficial. Many geographic names are employed in the descriptions throughout this chapter. While reading this chapter, viewing the Geographic Regions Layer of the Energy Resources Map, as needed, will be valuable.

  20. Nuclear medicine

    International Nuclear Information System (INIS)

    Anon.

    1993-01-01

    The area of nuclear medicine, the development of artificially produced radioactive isotopes for medical applications, is relatively recent. Among the subjects covered in a lengthy discussion are the following: history of development; impact of nuclear medicine; understanding the most effective use of radioisotopes; most significant uses of nuclear medicine radioimmunoassays; description of equipment designed for use in the field of nuclear medicine (counters, scanning system, display systems, gamma camera); description of radioisotopes used and their purposes; quality control. Numerous historical photographs are included. 52 refs

  1. Inorganic and geological materials

    International Nuclear Information System (INIS)

    Dinnin, J.I.

    1975-01-01

    Recently described methods for applied inorganic analysis are reviewed from an interdisciplinary standpoint. Abstracts and periodical literature up to Nov. 1974, are included for consideration. The following areas of interest are covered: general reviews of inorganic analytical techniques; analytical techniques, areas of application, and analysis of individual elements. Selected books, monographs, and review articles on the analytical chemistry of the elements are listed. (416 references.) (U.S.)

  2. Tsunami geology in paleoseismology

    Science.gov (United States)

    Yuichi Nishimura,; Jaffe, Bruce E.

    2015-01-01

    The 2004 Indian Ocean and 2011 Tohoku-oki disasters dramatically demonstrated the destructiveness and deadliness of tsunamis. For the assessment of future risk posed by tsunamis it is necessary to understand past tsunami events. Recent work on tsunami deposits has provided new information on paleotsunami events, including their recurrence interval and the size of the tsunamis (e.g. [187–189]). Tsunamis are observed not only on the margin of oceans but also in lakes. The majority of tsunamis are generated by earthquakes, but other events that displace water such as landslides and volcanic eruptions can also generate tsunamis. These non-earthquake tsunamis occur less frequently than earthquake tsunamis; it is, therefore, very important to find and study geologic evidence for past eruption and submarine landslide triggered tsunami events, as their rare occurrence may lead to risks being underestimated. Geologic investigations of tsunamis have historically relied on earthquake geology. Geophysicists estimate the parameters of vertical coseismic displacement that tsunami modelers use as a tsunami's initial condition. The modelers then let the simulated tsunami run ashore. This approach suffers from the relationship between the earthquake and seafloor displacement, the pertinent parameter in tsunami generation, being equivocal. In recent years, geologic investigations of tsunamis have added sedimentology and micropaleontology, which focus on identifying and interpreting depositional and erosional features of tsunamis. For example, coastal sediment may contain deposits that provide important information on past tsunami events [190, 191]. In some cases, a tsunami is recorded by a single sand layer. Elsewhere, tsunami deposits can consist of complex layers of mud, sand, and boulders, containing abundant stratigraphic evidence for sediment reworking and redeposition. These onshore sediments are geologic evidence for tsunamis and are called ‘tsunami deposits’ (Figs. 26

  3. Safeguards for geological repositories

    International Nuclear Information System (INIS)

    Fattah, A.

    2000-01-01

    Direct disposal of spent nuclear fuel in geological repositories is a recognised option for closing nuclear fuel cycles. Geological repositories are at present in stages of development in a number of countries and are expected to be built and operated early next century. A State usually has an obligation to safely store any nuclear material, which is considered unsuitable to re-enter the nuclear fuel cycle, isolated from the biosphere. In conjunction with this, physical protection has to be accounted for to prevent inadvertent access to such material. In addition to these two criteria - which are fully under the State's jurisdiction - a third criterion reflecting international non-proliferation commitments needs to be addressed. Under comprehensive safeguards agreements a State concedes verification of nuclear material for safeguards purposes to the IAEA. The Agency can thus provide assurance to the international community that such nuclear material has been used for peaceful purposes only as declared by the State. It must be emphasised that all three criteria mentioned constitute a 'unit'. None can be sacrificed for the sake of the other, but compromises may have to be sought in order to make their combination as effective as possible. Based on comprehensive safeguards agreements signed and ratified by the State, safeguards can be terminated only when the material has been consumed or diluted in such a way that it can no longer be utilised for any nuclear activities or has become practicably irrecoverable. As such safeguards for nuclear material in geological repositories have to be continued even after the repository has been back-filled and sealed. The effective application of safeguards must assure continuity-of-knowledge that the nuclear material in the repository has not been diverted for an unknown purpose. The nuclear material disposed in a geological repository may eventually have a higher and long term proliferation risk because the inventory is

  4. Antiparallel Dynamic Covalent Chemistries.

    Science.gov (United States)

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

    2017-05-17

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

  5. Geologic field-trip guide to Long Valley Caldera, California

    Science.gov (United States)

    Hildreth, Wes; Fierstein, Judy

    2017-07-26

    This guide to the geology of Long Valley Caldera is presented in four parts: (1) An overview of the volcanic geology; (2) a chronological summary of the principal geologic events; (3) a road log with directions and descriptions for 38 field-trip stops; and (4) a summary of the geophysical unrest since 1978 and discussion of its causes. The sequence of stops is arranged as a four-day excursion for the quadrennial General Assembly of the International Association of Volcanology and Chemistry of the Earth’s Interior (IAVCEI), centered in Portland, Oregon, in August 2017. Most stops, however, are written freestanding, with directions that allow each one to be visited independently, in any order selected.

  6. Radiation chemistry: basic, strategic or tactical science?

    International Nuclear Information System (INIS)

    Wardman, Peter

    1989-01-01

    The work of Weiss in the 1930s, particularly with Haber, has only recently been recognized to have implications in biology and medicine. Similarly, research in radiation chemistry and the application of the pulse radiolysis technique, for example, have implications far beyond traditional radiation chemistry. Some examples of such research are discussed against a background of categorization into 'basic', 'strategic' or 'tactical' science. Examples discussed include redox properties of free radicals, and the identification and characterization of nitro radicals as intermediates in drug metabolism. Radical reactions often take place in multicomponent systems, and the techniques of radiation chemistry can be used to probe, for example, events occurring at interfaces in micelles. Industrial processes involving radiation are attracting investment, particularly in Japan. (author)

  7. Basic science of nuclear medicine

    International Nuclear Information System (INIS)

    Parker, R.P.; Taylor, D.M.; Smith, P.H.S.

    1978-01-01

    A book has been written presenting those aspects of physics, chemistry and related sciences which are essential to a clear understanding of the scientific basis of nuclear medicine. Part I covers the basic physics of radiation and radioactivity. Part II deals with radiation dosimetry, the biological effects of radiation and the principles of tracer techniques. The measurement of radioactivity and the principal aspects of modern instrumentation are presented in Part III. Those aspects of chemistry relevant to the preparation and use of radiopharmaceuticals are discussed in Part IV. The final section is concerned with the production of radionuclides and radiopharmaceuticals and with the practical aspects of laboratory practice, facilities and safety. The book serves as a general introductory text for physicians, scientists, radiographers and technicians who are entering nuclear medicine. (U.K.)

  8. Chemistry Progress and Civilization in Ancient China

    Institute of Scientific and Technical Information of China (English)

    JIANG Yu-Qian; RUAN Shu-Xiang; TANG Shan; SHUAI Zhi-Gang

    2011-01-01

    @@ During the 6,000 years of Chinese civilization, chemistry has played an essential role.The bronzed chime bells of the Warring States Period (475-221 BC) unearthed in Hubei Province shows not only the excellence in musical instruments in ancient China, but also the technological advances in metallurgy.Chinese alchemy was not originated from the quest to turn common metals to gold, instead, it was for searching medicines for longevity of human beings, mostly practised by Taoists.

  9. Vulnerable Medicine

    Science.gov (United States)

    Bochner, Arthur P.

    2009-01-01

    In "Narrative Medicine: Honoring the Stories of Illness," Rita Charon paints an original and humane portrait of what it can mean to be a doctor, to live a life immersed in sickness and dedicated to wellness. Charon drops the veil, inviting readers to look at the secret, subjective, emotional face of medicine, a zone of self-censored feelings and…

  10. Medicinal claims

    NARCIS (Netherlands)

    Meulen, van der Bernd

    2017-01-01

    Under EU medicinal law, substances presented as having properties for treating or preventing disease are medicinal products by virtue of their presentation. EU food law prohibits attributing to any food the property of preventing, treating or curing a disease. However, if certain conditions are

  11. Spatial and temporal variation of stream chemistry associated with contrasting geology and land-use patterns in the Chesapeake Bay watershed—Summary of results from Smith Creek, Virginia; Upper Chester River, Maryland; Conewago Creek, Pennsylvania; and Difficult Run, Virginia, 2010–2013

    Science.gov (United States)

    Hyer, Kenneth E.; Denver, Judith M.; Langland, Michael J.; Webber, James S.; Böhlke, J.K.; Hively, W. Dean; Clune, John W.

    2016-11-17

    Despite widespread and ongoing implementation of conservation practices throughout the Chesapeake Bay watershed, water quality continues to be degraded by excess sediment and nutrient inputs. While the Chesapeake Bay Program has developed and maintains a large-scale and long-term monitoring network to detect improvements in water quality throughout the watershed, fewer resources have been allocated for monitoring smaller watersheds, even though water-quality improvements that may result from the implementation of conservation practices are likely to be first detected at smaller watershed scales.In 2010, the U.S. Geological Survey partnered with the U.S. Environmental Protection Agency and the U.S. Department of Agriculture to initiate water-quality monitoring in four selected small watersheds that were targeted for increased implementation of conservation practices. Smith Creek watershed is an agricultural watershed in the Shenandoah Valley of Virginia that is dominated by cattle and poultry production, and the Upper Chester River watershed is an agricultural watershed on the Eastern Shore of Maryland that is dominated by row-cropping activities. The Conewago Creek watershed is an agricultural watershed in southeastern Pennsylvania that is characterized by mixed agricultural activities. The fourth watershed, Difficult Run, is a suburban watershed in northern Virginia that is dominated by medium density residential development. The objective of this study was to investigate spatial and temporal variations in water chemistry and suspended sediment in these four relatively small watersheds that represent a range of land-use patterns and underlying geology to (1) characterize current water-quality conditions in these watersheds, and (2) identify the dominant sources, sinks, and transport processes in each watershed.The general study design involved two components. The first included intensive routine water-quality monitoring at an existing streamgage within each study

  12. [Evolutionary medicine].

    Science.gov (United States)

    Wjst, M

    2013-12-01

    Evolutionary medicine allows new insights into long standing medical problems. Are we "really stoneagers on the fast lane"? This insight might have enormous consequences and will allow new answers that could never been provided by traditional anthropology. Only now this is made possible using data from molecular medicine and systems biology. Thereby evolutionary medicine takes a leap from a merely theoretical discipline to practical fields - reproductive, nutritional and preventive medicine, as well as microbiology, immunology and psychiatry. Evolutionary medicine is not another "just so story" but a serious candidate for the medical curriculum providing a universal understanding of health and disease based on our biological origin. © Georg Thieme Verlag KG Stuttgart · New York.

  13. 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...

  14. Polymer chemistry (revised edition)

    International Nuclear Information System (INIS)

    Kim, Jae Mum

    1987-02-01

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

  15. 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.)

  16. From trace chemistry to single atom chemistry

    International Nuclear Information System (INIS)

    Adloff, J.P.

    1993-01-01

    Hot atom chemistry in the vast majority of experimental works deals with the trace amount of radioactive matters. Accordingly, the concept of trace chemistry is at the heart of hot atom chemistry. Some aspects of the chemistry at trace scale and at subtrace scale are presented together with the related problems of speciation and the complication which may arise due to the formation of radio colloids. The examples of 127 I(n,γ) 128 I and 132 Te (β - ) 132 I are shown, and the method based on radioactivity was used. The procedure of separating the elements in pitchblende is shown as the example of the chemistry of traces. 13 27 Al+ 2 4 He→ 0 1 n+ 15 30 P and 15 30 P→ 14 30 Si+e + +V are shown, and how to recognize the presence of radioactive colloids is explained. The formation of radiocolloids is by the sorption of a trace radioelement on pre-existing colloidal impurity or the self-condensation of monomeric species. The temporal parameters of the nature of reactions at trace concentration are listed. The examples of Class A and Class B reactions are shown. The kinetics of reactions at trace level, radon concentration, anthropogenic Pu and natural Pu in environment, the behavior of Pu atoms and so on are described. (K.I.)

  17. Geology [Chapter 4

    Science.gov (United States)

    E. A. Rochette

    1994-01-01

    The Medicine Bow Mountains have a core of Precambrian rocks. They contain the boundary, the Cheyenne Belt, between the Wyoming Province to the NW and the accreted Proterozoic continental crust to the SE (Karlstrom and Houston 1984). The Wyoming Province consists of Archean rocks that are locally intruded and (or) overlain by rocks of Proterozoic age, including the...

  18. Canopy Chemistry (OTTER)

    Data.gov (United States)

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

  19. USSR Report, Chemistry

    National Research Council Canada - National Science Library

    1986-01-01

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

  20. Elements of environmental chemistry

    National Research Council Canada - National Science Library

    Hites, R. A; Raff, Jonathan D

    2012-01-01

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