WorldWideScience

Sample records for medicine geology chemistry

  1. Diversity in Medicinal Chemistry.

    Science.gov (United States)

    Peralta, David

    2018-01-08

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

  2. 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.

  3. 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

  4. 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

  5. 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.

  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. Global Bedrock Geology and River Chemistry

    Science.gov (United States)

    Peucker-Ehrenbrink, B.; Miller, M. W.

    2002-12-01

    The lack of modern quantitative estimates of the Earth`s surface geology, one of the key parameters influencing river (and ocean) chemistry, is striking. Most published estimates of area-age relationships of sedimentary bedrock, for instance, were published before the 1980s, were based on less detailed geologic maps often decades older, and used techniques such as cutting and weighting age correlative map units or point counting at fairly coarse resolution (Higgs, 1949; Gilluly, 1969; Blatt and Jones, 1975; Ronov, 1980). Even more recent estimates (e.g., Berry and Wilkinson, 1994) are based on data predating the 1980s (Cook and Bally, 1975; Ronov, 1980). In an attempt to gain quantitative understanding of the link between surface geology (bedrock chemistry and weatherability) and river (and ocean) chemistry we have initiated a global assessment of the Earth`s surface geology that is based on the latest digital geologic maps using modern geographic information system technology (Environmental Systems Research Institute`s ArcInfo software). To date we have completed analysis of three digital data sets: 1) the geologic map of the conterminous United States of America by King and Beikman (1974; 1:2,500,000; spatial resolution ~600 km2 per polygon), made available in digital format by the USGS, 2) the geologic map of Alaska by Beikman (1980; 1:2,5000,000; ~300 km2 per polygon), also available in digital form through the USGS, and 3) the geologic map of Canada that is based on a revised and updated version of the geologic map by Douglas (1969; 1:5,000,000; ~780 km2 per polygon), made available in digital form by the Geologic Survey of Canada. The data reveal, among others, the area-age relationship of sedimentary, volcanic, intrusive and metamorphic rocks at unprecedented temporal and spatial resolution. The data also provide quantitative estimates of the abundance of major rock types: sedimentary rocks make up 83% (US; 69.7% stratified, mostly marine and 13

  11. 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.

  12. 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

  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. 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...

  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. Sequencing nucleic acids: from chemistry to medicine.

    Science.gov (United States)

    Balasubramanian, Shankar

    2011-07-14

    Chemistry has played a vital role in making routine, affordable sequencing of human genomes a reality. This article focuses on the genesis and development of Solexa sequencing that originated in Cambridge, UK. This sequencing approach is helping transform science and offers intriguing prospects for the future of medicine.

  1. 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.

  2. 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.

  3. Medicinal Radiopharmaceutical Chemistry of Metal Radiopharmaceuticals

    Science.gov (United States)

    Saw, Maung Maung

    2012-06-01

    Metal complexes have been used as medicinal compounds. Metals have advantageous features over organic compounds. Significant applications of metal complexes are in the field of nuclear medicine. Radiopharmaceuticals are drugs containing radioisotopes used for diagnostic and therapeutic purposes. The generalized targeting strategy for molecular imaging probe consists of three essential parts: (i) reporter unit or payload, (ii) carrier, and (iii) targeting system. Medicinal radiopharmaceutical chemistry pays special consideration to radioisotopes, as a reporter unit for diagnostic application or as a payload for therapeutic application. Targeting is achieved by a few approaches but the most common is the bifunctional chelator approach. While designing a radiopharmaceutical, a range of issues needs to be considered including properties of metal radioisotopes, bifunctional chelators, linkers, and targeting molecules. Designing radiopharmaceuticals requires consideration of two key words: "compounds of biological interest" and "fit for intended use." The ultimate goal is the development of new diagnostic methods and treatment. Diagnostic metal radiopharmaceuticals are used for SPECT and PET applications. Technetium chemistry constitutes a major portion of SPECT and gallium chemistry constitutes a major portion of PET. Therapeutic radiopharmaceuticals can be constructed by using alpha-, beta minus-, or Auger electron-emitting radiometals. Special uses of medicinal radiopharmaceuticals include internal radiation therapy, brachytherapy, immunoPET, radioimmunotherapy, and peptide receptor radionuclide imaging and therapy.

  4. 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

  5. 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...

  6. 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.

  7. 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.

  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. Tuberculosis: An Inorganic Medicinal Chemistry Perspective.

    Science.gov (United States)

    Viganor, Livia; Skerry, Ciaran; McCann, Malachy; Devereux, Michael

    2015-01-01

    Tuberculosis (TB) which is caused by the resilient pathogen Mycobacterium tuberculosis (MTB) has re-emerged to become a leading public health problem in the world. The growing number of multi-drug resistant MTB strains and the more recently emerging problem with the extensively drug resistant strains of the pathogen are greatly undermining conventional anti-TB therapeutic strategies which are lengthy and expose patients to toxicity and other unwanted side effects. The search for new anti-TB drugs essentially involves either the repurposing of existing organic drugs which are now off patent and already FDA approved, the synthesis of modified analogues of existing organic drugs, with the aim of shortening and improving drug treatment for the disease, or the search for novel structures that offer the possibility of new mechanisms of action against the mycobacterium. Inorganic medicinal chemistry offers an alternative to organic drugs through opportunities for the design of therapeutics that target different biochemical pathways. The incorporation of metal ions into the molecular structure of a potential drug offers the medicinal chemist an opportunity to exploit structural diversity, have access to various oxidation states of the metal and also offer the possibility of enhancing the activity of an established organic drug through its coordination to the metal centre. In this review, we summarize what is currently known about the antitubercular capability of metal complexes, their mechanisms of action and speculate on their potential applications in the clinic.

  18. 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.

  19. 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.…

  20. 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.

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

    OpenAIRE

    Mica, Chloe

    2016-01-01

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

  2. 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.

  3. Mass spectrometry. [in organic ion and biorganic chemistry and medicine

    Science.gov (United States)

    Burlingame, A. L.; Cox, R. E.; Derrick, P. J.

    1974-01-01

    Review of the present status of mass spectrometry in the light of pertinent recent publications spanning the period from December 1971 to January 1974. Following an initial survey of techniques, instruments, and computer applications, a sharp distinction is made between the chemistry of organic (radical-)ions and analytical applications in biorganic chemistry and medicine. The emphasis is on the chemistry of organic (radical-)ions at the expense of inorganic, organometallic, and surface ion chemistry. Biochemistry and medicine are chosen because of their contemporary importance and because of the stupendous contributions of mass spectroscopy to these fields in the past two years. In the review of gas-phase organic ion chemistry, special attention is given to studies making significant contributions to the understanding of ion chemistry.

  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. The use of the R language for medicinal chemistry applications.

    Science.gov (United States)

    Mente, Scot; Kuhn, Max

    2012-01-01

    This manuscript serves as a review of how the R language has been used in the last decade to address problems related to medicinal chemistry design. This includes the use of the R language for chemoinformatics applications and interfaces, as well as statistical modeling for ADMET and potency endpoints. Additionally, a few examples of R code are provided to demonstrate the ability of this language to make available cutting-edge statistical analysis to the medicinal chemistry design community.

  6. 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…

  7. 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)

  8. Clinical chemistry: challenges for analytical chemistry and the nanosciences from medicine.

    Science.gov (United States)

    Durner, Jürgen

    2010-02-01

    Clinical chemistry and laboratory medicine can look back over more than 150 years of eventful history. The subject encompasses all the medicinal disciplines as well as the remaining natural sciences. Clinical chemistry demonstrates how new insights from basic research in biochemical, biological, analytical chemical, engineering, and information technology can be transferred into the daily routine of medicine to improve diagnosis, therapeutic monitoring, and prevention. This Review begins with a presentation of the development of clinical chemistry. Individual steps between the drawing of blood and interpretation of laboratory data are then illustrated; here not only are pitfalls described, but so are quality control systems. The introduction of new methods and trends into medicinal analysis is explored, along with opportunities and problems associated with personalized medicine.

  9. 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.

  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. 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

  12. 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.

  13. 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…

  14. Ethnopharmacology, Chemistry and Biological Properties of Four Malian Medicinal Plants

    OpenAIRE

    Karl Egil Malterud

    2017-01-01

    The ethnopharmacology, chemistry and pharmacology of four Malian medicinal plants, Biophytum umbraculum, Burkea africana, Lannea velutina and Terminalia macroptera are reviewed. These plants are used by traditional healers against numerous ailments: malaria, gastrointestinal diseases, wounds, sexually transmitted diseases, insect bites and snake bites, etc. The scientific evidence for these uses is, however, limited. From the chemical and pharmacological evidence presented here, it seems poss...

  15. 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.

  16. 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.

  17. 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.

  18. 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 [...

  19. Methodology in diagnostic laboratory test research in clinical chemistry and clinical chemistry and laboratory medicine.

    Science.gov (United States)

    Lumbreras-Lacarra, Blanca; Ramos-Rincón, José Manuel; Hernández-Aguado, Ildefonso

    2004-03-01

    The application of epidemiologic principles to clinical diagnosis has been less developed than in other clinical areas. Knowledge of the main flaws affecting diagnostic laboratory test research is the first step for improving its quality. We assessed the methodologic aspects of articles on laboratory tests. We included articles that estimated indexes of diagnostic accuracy (sensitivity and specificity) and were published in Clinical Chemistry or Clinical Chemistry and Laboratory Medicine in 1996, 2001, and 2002. Clinical Chemistry has paid special attention to this field of research since 1996 by publishing recommendations, checklists, and reviews. Articles were identified through electronic searches in Medline. The strategy combined the Mesh term "sensitivity and specificity" (exploded) with the text words "specificity", "false negative", and "accuracy". We examined adherence to seven methodologic criteria used in the study by Reid et al. (JAMA1995;274:645-51) of papers published in general medical journals. Three observers evaluated each article independently. Seventy-nine articles fulfilled the inclusion criteria. The percentage of studies that satisfied each criterion improved from 1996 to 2002. Substantial improvement was observed in reporting of the statistical uncertainty of indices of diagnostic accuracy, in criteria based on clinical information from the study population (spectrum composition), and in avoidance of workup bias. Analytical reproducibility was reported frequently (68%), whereas information about indeterminate results was rarely provided. The mean number of methodologic criteria satisfied showed a statistically significant increase over the 3 years in Clinical Chemistry but not in Clinical Chemistry and Laboratory Medicine. The methodologic quality of the articles on diagnostic test research published in Clinical Chemistry and Clinical Chemistry and Laboratory Medicine is comparable to the quality observed in the best general medical journals

  20. 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

  1. 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.

  2. 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....... 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...

  3. 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.

  4. Ethnopharmacology, Chemistry and Biological Properties of Four Malian Medicinal Plants.

    Science.gov (United States)

    Malterud, Karl Egil

    2017-02-21

    The ethnopharmacology, chemistry and pharmacology of four Malian medicinal plants, Biophytum umbraculum , Burkea africana , Lannea velutina and Terminalia macroptera are reviewed. These plants are used by traditional healers against numerous ailments: malaria, gastrointestinal diseases, wounds, sexually transmitted diseases, insect bites and snake bites, etc. The scientific evidence for these uses is, however, limited. From the chemical and pharmacological evidence presented here, it seems possible that the use in traditional medicine of these plants may have a rational basis, although more clinical studies are needed.

  5. Ethnopharmacology, Chemistry and Biological Properties of Four Malian Medicinal Plants

    Directory of Open Access Journals (Sweden)

    Karl Egil Malterud

    2017-02-01

    Full Text Available The ethnopharmacology, chemistry and pharmacology of four Malian medicinal plants, Biophytum umbraculum, Burkea africana, Lannea velutina and Terminalia macroptera are reviewed. These plants are used by traditional healers against numerous ailments: malaria, gastrointestinal diseases, wounds, sexually transmitted diseases, insect bites and snake bites, etc. The scientific evidence for these uses is, however, limited. From the chemical and pharmacological evidence presented here, it seems possible that the use in traditional medicine of these plants may have a rational basis, although more clinical studies are needed.

  6. 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.

  7. 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.

  8. 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.

  9. 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.)

  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. 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)

  13. 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.

  14. 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

  15. 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.

  16. At the Intersection of Chemistry, Biology, and Medicine.

    Science.gov (United States)

    Walsh, Christopher T

    2017-06-20

    After an undergraduate degree in biology at Harvard, I started graduate school at The Rockefeller Institute for Medical Research in New York City in July 1965. I was attracted to the chemical side of biochemistry and joined Fritz Lipmann's large, hierarchical laboratory to study enzyme mechanisms. That work led to postdoctoral research with Robert Abeles at Brandeis, then a center of what, 30 years later, would be called chemical biology. I spent 15 years on the Massachusetts Institute of Technology faculty, in both the Chemistry and Biology Departments, and then 26 years on the Harvard Medical School Faculty. My research interests have been at the intersection of chemistry, biology, and medicine. One unanticipated major focus has been investigating the chemical logic and enzymatic machinery of natural product biosynthesis, including antibiotics and antitumor agents. In this postgenomic era it is now recognized that there may be from 10 5 to 10 6 biosynthetic gene clusters as yet uncharacterized for potential new therapeutic agents.

  17. Design of targeting ligands in medicinal inorganic chemistry.

    Science.gov (United States)

    Storr, Tim; Thompson, Katherine H; Orvig, Chris

    2006-06-01

    This tutorial review will highlight recent advances in medicinal inorganic chemistry pertaining to the use of multifunctional ligands for enhanced effect. Ligands that adequately bind metal ions and also include specific targeting features are gaining in popularity due to their ability to enhance the efficacy of less complicated metal-based agents. Moving beyond the traditional view of ligands modifying reactivity, stabilizing specific oxidation states, and contributing to substitution inertness, we will discuss recent work involving metal complexes with multifunctional ligands that target specific tissues, membrane receptors, or endogenous molecules, including enzymes.

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. Latest Advances Towards Ras Inhibition: A Medicinal Chemistry Perspective.

    Science.gov (United States)

    Sautier, Brice; Nising, Carl F; Wortmann, Lars

    2016-12-23

    Owing to their high occurrence rate across many human cancers and their lack of druggability so far, mutant forms of the signaling protein Ras are currently among the most attractive (and elusive) oncology targets. This strong appeal explains the sustained effort in the field, and the ensuing progress has rekindled optimism regarding the discovery of Ras inhibitors. In this Minireview, we discuss the most recent advances towards irreversible inhibitors, and highlight approaches to inhibitors of Ras-effector interactions that have been overshadowed by the current focus on direct Ras inhibition. At the same time, we provide a critical assessment from a medicinal chemistry perspective. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Targeting the folate receptor: improving efficacy in inorganic medicinal chemistry.

    Science.gov (United States)

    Carron, Pauraic Mc; Crowley, Aisling; O'Shea, Denis; McCann, Malachy; Howe, Orla; Hunt, Mary; Devereux, Michael

    2018-02-09

    The discovery of the high-affinity, high-specificity folate receptor in mamalian kidney cells, coupled with the ability of folate to enter cells by folate receptor-mediated endocytosis and the subsequent elucidation of the folate receptor's overexpression in specific cancer cell types; heralded the arrival of the area of chemotherapeutic folate targeting. The application of purely organic folate-based small-molecule drug conjugates that selectively target the folate receptor, which is over expressed in several diseases such as cancer, is well established. The application of inorganic folate-targeted drugs offers significant potential to expand and enhance this therapeutic approach. From the data made available to date, it is apparent that this aspect of inorganic medicinal chemistry is in its youth but has the capability to contribute greatly to cancer research, both in therapy and diagnosis. The union of folate-receptor targeting and inorganic medicine may also lead to the development of treatments for disorders such as chronic-inflammation, tuberculosis, neurodegenerative disease and leishmaniasis. In this review, we summarize what is known about the coordination chemistry of folic acid and the therapeutic potential of such complexes. We also describe approaches adopted to conjugate platinum drugs to folate- or folate-carrier- systems and their prospective ability to overcome problems associated with unwanted side-effects and resistance by improving their delivery and/or selectivity. The literature pertaining to non-platinum metal complex conjugates with folic acid is also reviewed revealing that this is an area that offers significant potential to develop targeted therapeutic approaches in areas such as chemotherapy and molecular imaging for diagnostics. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  6. 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.

  7. 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…

  8. 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

  9. 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.

  10. Proteasome inhibitors: recent advances and new perspectives in medicinal chemistry.

    Science.gov (United States)

    Genin, E; Reboud-Ravaux, M; Vidal, J

    2010-01-01

    The search for proteasome inhibitors began fifteen years ago. These inhibitors proved to be powerful tools for investigating many important cellular processes regulated by the ubiquitin-proteasome pathway. Targeting the proteasome pathway can also lead to new treatments for disorders like cancer, muscular dystrophies, inflammation and immune diseases. This is already true for cancer; the FDA approved bortezomib, a potent proteasome inhibitor, for treating multiple myeloma in 2003, and mantle cell lymphoma in 2006. The chemical structures identified in some of the early proteasome inhibitors have led to the development of new anti-cancer drugs (CEP-18770, Carfilzomib, NPI-0052). All these molecules are covalent bonding inhibitors that react with the catalytic Thr1-O(gamma) of the three types of active site. This review covers recent developments in medicinal chemistry of natural and synthetic proteasome inhibitors. Advances in non-covalent inhibitors that have no reactive group will be highlighted as they should minimize side-effects. New structures and new modes of action have been recently identified that open the door to new drug candidates for treating a range of diseases.

  11. Platensimycin and platencin: Inspirations for chemistry, biology, enzymology, and medicine.

    Science.gov (United States)

    Rudolf, Jeffrey D; Dong, Liao-Bin; Shen, Ben

    2017-06-01

    Natural products have served as the main source of drugs and drug leads, and natural products produced by microorganisms are one of the most prevalent sources of clinical antibiotics. Their unparalleled structural and chemical diversities provide a basis to investigate fundamental biological processes while providing access to a tremendous amount of chemical space. There is a pressing need for novel antibiotics with new mode of actions to combat the growing challenge of multidrug resistant pathogens. This review begins with the pioneering discovery and biological activities of platensimycin (PTM) and platencin (PTN), two antibacterial natural products isolated from Streptomyces platensis. The elucidation of their unique biochemical mode of action, structure-activity relationships, and pharmacokinetics is presented to highlight key aspects of their biological activities. It then presents an overview of how microbial genomics has impacted the field of PTM and PTN and revealed paradigm-shifting discoveries in terpenoid biosynthesis, fatty acid metabolism, and antibiotic and antidiabetic therapies. It concludes with a discussion covering the future perspectives of PTM and PTN in regard to natural products discovery, bacterial diterpenoid biosynthesis, and the pharmaceutical promise of PTM and PTN as antibiotics and for the treatment of metabolic disorders. PTM and PTN have inspired new discoveries in chemistry, biology, enzymology, and medicine and will undoubtedly continue to do so. Copyright © 2016 Elsevier Inc. All rights reserved.

  12. 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)

  13. 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.

  14. 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...

  15. 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.

  16. 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.

  17. 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

  18. 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)

  19. 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...

  20. 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.

  1. 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,…

  2. "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…

  3. 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.

  4. Medicinal Chemistry of Fluorinated Cyclic and Acyclic Nucleoside Phosphonates

    Czech Academy of Sciences Publication Activity Database

    Baszczyňski, Ondřej; Janeba, Zlatko

    2013-01-01

    Roč. 33, č. 6 (2013), s. 1304-1344 ISSN 0198-6325 Institutional support: RVO:61388963 Keywords : nucleoside phosphosphonates * fluorine * antiviral * anticancer * antiparasitic Subject RIV: CC - Organic Chemistry Impact factor: 8.131, year: 2013

  5. 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.

  6. 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.

  7. 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...

  8. 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.

  9. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    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 {mu}g/L in the aqueous phase and from approximately 10 to 290 {mu}g/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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Felix Cornu (1882-1909): Staggering Career of a Mineralogist, the Founder of Colloidal Chemistry in Geology

    Czech Academy of Sciences Publication Activity Database

    Ulrych, Jaromír

    2003-01-01

    Roč. 15, - (2003), s. 199 ISSN 1210-9606. [Hibsch 2002 Symposium. Teplá near Třebenice, Ústí nad Labem, Mariánské Lázně, 03.06.2002-08.06.2002] Institutional research plan: CEZ:AV0Z3013912 Keywords : Cornu, Felix * mineralogist * colloidal chemistry Subject RIV: DB - Geology ; Mineralogy http://geolines.gli.cas.cz/fileadmin/volumes/volume15/G15-199.pdf

  18. [A glimpse into a new discipline: medicinal inorganic chemistry].

    Science.gov (United States)

    Kórös, E; Varga, M

    2000-01-01

    Authors discuss some aspects of the medicinal application of metal complexes. They deal with anti-effective agents, bismuth anticulcer and gold antiarthritic drugs, and with agents that influence the NO balance in the cardiovascular system. Further, they concern with insulin mimetic vanadium compounds, metal complexes of superoxide dismutase activity, photodynamic therapy, and the treatment of copper deficiency.

  19. 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, mor...

  20. 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

  1. 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…

  2. 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.

  3. 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…

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  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. 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.

  19. 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.

  20. 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)

  1. 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)

  2. 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.

  3. Química Medicinal Moderna: desafios e contribuição brasileira Modern Medicinal Chemistry: challenges and Brazilian contribution

    Directory of Open Access Journals (Sweden)

    Lídia M. Lima

    2007-12-01

    Full Text Available The main aspects of the modern Medicinal Chemistry, among the classic and industrial paradigms, used in the drug discovery process will be treated. The contribution of the Brazilian science in the knowledge generation in Medicinal Chemistry will be demonstrated, with base in searches accomplished in the portal Web of Science® 7.10 and in the directory of groups of research of CNPq.

  4. 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.

  5. [Bioanalytics in medicinal chemistry: from assay development to evolutive drug design].

    Science.gov (United States)

    Jose, J

    2009-11-01

    During the last decade, the focus of bioanalytics shifted from the mere analysis of biomacromolecules to the application of proteins and nucleic acids for analytical purposes, e.g. accessing the biological role of cellular constituents, target identification and validation, quantification of receptor-ligand interactions and others. The increasing impact of combining biomacromolecules with standard analytic devices can be exemplified by the central role of DNA and protein micro-arrays in the fields of genomics, proteomics, transcriptomics or pharmacogenomics. Medicinal chemistry is considered as the scientific discipline concerned with the discovery, design, identification, and preparation of biologically active compounds and the interpretation of their mode of action at the molecular level and their metabolites. From this definition it is evident that bioanalytical tools put into service of medicinal chemistry needs can contribute substantially to progress in drug discovery, design and identification, especially in cases when these tools are well-adapted for miniaturisation and automation to enable high throughput screening. Many successful examples of combining biomacromolecules with standard instrumental analytics indicate that the former role of biochemical testing in medicinal chemistry is more and more replaced by what we call molecular bioanalytics. In recent research, we showed how molecular biology methods and whole cell approaches can be integrated into new bioanalytical tools of complex assembly and how these tools are applicable for drug discovery, drug synthesis and high throughput screening. This is exemplified by the evolutive development of enzyme inhibitors for targets in chronic inflammatory diseases (cathepsin G) or cancer (CK2, hyaluronidase).

  6. 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.

  7. 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.

  8. 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)

  9. 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.

  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. 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".

  12. Advances in personalized medicine - medicinal chemistry and pharmacology of vemurafenib and ivacaftor.

    Science.gov (United States)

    Pellowska, M; Merk, D; Schubert-Zsilavecz, M

    2013-07-01

    Pharmacogenomics offers an entrance in the field of personalized medicine. This form of adapted therapy is going to be the future concerning the reduction of side effects and efficacy of the treatment of severe diseases. Vemurafenib and Ivacaftor are the first FDA approved drugs specially addressing mutated proteins. Both substances showed promising results in all clinical trials combined with relatively mild side effects by vemurafenib and placebo-like side effects by ivacaftor. The efficacy in addressing the specific mutation of each compound was confirmed in preclinical and clinical development.

  13. 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.

  14. A golden future in medicinal inorganic chemistry: the promise of anticancer gold organometallic compounds.

    Science.gov (United States)

    Bertrand, Benoît; Casini, Angela

    2014-03-21

    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 coordination compounds. In fact, several studies have proved that they can be used to develop highly efficient metal-based drugs with possible applications in the treatment of cancer. This Perspective summarizes the results obtained for different families of bioactive organometallic gold compounds including cyclometallated gold(iii) complexes with C,N-donor ligands, gold(I) and gold(I/III) N-heterocyclic (NHC) carbene complexes, as well as gold(I) alkynyl complexes, with promising anticancer effects. Most importantly, we will focus on recent developments in the field and discuss the potential of this class of organometallic compounds in relation to their versatile chemistry and innovative mechanisms of action.

  15. 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.

  16. 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.

  17. Fluorinated compounds in medicinal chemistry: recent applications, synthetic advances and matched-pair analyses.

    Science.gov (United States)

    Barnes-Seeman, David; Beck, Jeremy; Springer, Clayton

    2014-01-01

    In recent years, several new fluorinated functional groups have been employed in medicinal chemistry. This review will highlight some recent developments in this area. We draw attention to useful synthetic advances for the installation of fluorine-containing groups. In addition, we examine the application of some fluorinated functional groups that have recently been gaining popularity in drug discovery. We use matched-pair analysis to assemble aggregate data on the impact on potency of one of these groups, pentafluorosulfanyl, as compared to trifluoromethyl. We further used matchedpair analysis to identify some interesting effects on in vitro ADME properties of replacing H by F on certain moieties.

  18. The chemistry-biology-medicine continuum and the drug discovery and development process in academia.

    Science.gov (United States)

    Nicolaou, K C

    2014-09-18

    Admirable as it is, the drug discovery and development process is continuously undergoing changes and adjustments in search of further improvements in efficiency, productivity, and profitability. Recent trends in academic-industrial partnerships promise to provide new opportunities for advancements of this process through transdisciplinary collaborations along the entire spectrum of activities involved in this complex process. This perspective discusses ways to promote the emerging academic paradigm of the chemistry-biology-medicine continuum as a means to advance the drug discovery and development process. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. 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.

  20. The EC4 European syllabus for post-graduate training in clinical chemistry and laboratory medicine

    DEFF Research Database (Denmark)

    Wieringa, Gijsbert; Zerah, Simone; Jansen, Rob

    2012-01-01

    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...... 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...

  1. 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…

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. Multifunctional ligands in medicinal inorganic chemistry--current trends and future directions.

    Science.gov (United States)

    Chiang, Linus; Jones, Michael R; Ferreira, Cara L; Storr, Tim

    2012-01-01

    This review will highlight recent advances in ligand design for innovative applications in medicinal inorganic chemistry. Ligands that effectively bind metal ions and also include specific features to enhance targeting, reporting, and overall efficacy are driving innovation in areas of disease diagnosis and therapy. Increasing the potency of therapeutic compounds, while limiting side-effects, is a common goal in medicinal chemistry. In an effort to achieve this goal, compounds are being developed that either target a disease site, or are activated by a disease specific biological process. Metal complexes containing targeting functions and/or bioactive ligands, as well as agents that are activated by specific enzymes, or changes in pH and pO2, provide new avenues for drug development. Radiodiagnostic compounds, magnetic resonance imaging agents, and optical probes containing transition metals offer versatility unavailable to organic imaging agents. In certain cases, dual modality agents have been developed, and will be highlighted. Finally, we will discuss targeted metal binding compounds for treatment of metal overload disorders, and the recent application to neurodegenerative disease.

  7. Recent advances in the medicinal chemistry of the metabotropic glutamate receptor 1 (mGlu₁).

    Science.gov (United States)

    Owen, Dafydd R

    2011-08-17

    This Review summarizes the medicinal chemistry found in publications on both orthosteric and allosteric modulators of the metabotropic glutamate receptor 1 (mGlu(1)) from 2005 to the present. The time period covered by the scope of this current review has been particularly rich in mGlu(1)-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 mGlu(1) 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 mGlu(1) 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 mGlu(1) receptor.

  8. Understanding recognition and self-assembly in biology using the chemist's toolbox. Insight into medicinal chemistry.

    Science.gov (United States)

    Quirolo, Z B; Benedini, L A; Sequeira, M A; Herrera, M G; Veuthey, T V; Dodero, V I

    2014-01-01

    Medicinal chemistry is intimately connected with basic science such as organic synthesis, chemical biology and biophysical chemistry among other disciplines. The reason of such connections is due to the power of organic synthesis to provide designed molecules; chemical biology to give tools to discover biological and/or pathological pathways and biophysical chemistry which provides the techniques to characterize and the theoretical background to understand molecular behaviour. The present review provides some selective examples of these research areas. Initially, template dsDNA organic synthesis and the spatio-temporal control of transcription are presenting following by the supramolecular entities used in drug delivery, such as liposomes and liquid crystal among others. Finally, peptides and protein self-assembly is connected with biomaterials and as an important event in the balance between health and disease. The final aim of the present review is to show the power of chemical tools not only for the synthesis of new molecules but also to improve our understanding of recognition and self-assembly in the biological context.

  9. 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.

  10. 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

  11. [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.

  12. Chemistry

    International Nuclear Information System (INIS)

    Gomez G, H.

    1989-01-01

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

  13. A history of HbA1c through Clinical Chemistry and Laboratory Medicine.

    Science.gov (United States)

    Gillery, Philippe

    2013-01-01

    HbA(1c) was discovered in the late 1960s and its use as marker of glycemic control has gradually increased over the course of the last four decades. Recognized as the gold standard of diabetic survey, this parameter was successfully implemented in clinical practice in the 1970s and 1980s and internationally standardized in the 1990s and 2000s. The use of standardized and well-controlled methods, with well-defined performance criteria, has recently opened new directions for HbA(1c) use in patient care, e.g., for diabetes diagnosis. Many reports devoted to HbA1c have been published in Clinical Chemistry and Laboratory Medicine (CCLM) journal. This review reminds the major steps of HbA(1c) history, with a special emphasis on the contribution of CCLM in this field.

  14. 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.

  15. 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

  16. 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

  17. 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.

  18. 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.

  19. 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...

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. Analytical Chemistry in Russia.

    Science.gov (United States)

    Zolotov, Yuri

    2016-09-06

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

  7. 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)

  8. A document classifier for medicinal chemistry publications trained on the ChEMBL corpus.

    Science.gov (United States)

    Papadatos, George; van Westen, Gerard Jp; Croset, Samuel; Santos, Rita; Trubian, Simone; Overington, John P

    2014-12-01

    The large increase in the number of scientific publications has fuelled a need for semi- and fully automated text mining approaches in order to assist in the triage process, both for individual scientists and also for larger-scale data extraction and curation into public databases. Here, we introduce a document classifier, which is able to successfully distinguish between publications that are 'ChEMBL-like' (i.e. related to small molecule drug discovery and likely to contain quantitative bioactivity data) and those that are not. The unprecedented size of the medicinal chemistry literature collection, coupled with the advantage of manual curation and mapping to chemistry and biology make the ChEMBL corpus a unique resource for text mining. The method has been implemented as a data protocol/workflow for both Pipeline Pilot (version 8.5) and KNIME (version 2.9) respectively. Both workflows and models are freely available at: ftp://ftp.ebi.ac.uk/pub/databases/chembl/text-mining. These can be readily modified to include additional keyword constraints to further focus searches. Large-scale machine learning document classification was shown to be very robust and flexible for this particular application, as illustrated in four distinct text-mining-based use cases. The models are readily available on two data workflow platforms, which we believe will allow the majority of the scientific community to apply them to their own data. Graphical AbstractMultidimensional scaling analysis applied to document vectors derived from titles and abstracts in different corpora. Notably, there is large overlap between the documents in the different ChEMBL versions and BindingDB, while the background MEDLINE set is largely divergent.

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. The Medicinal Chemistry of Therapeutic Peptides: Recent Developments in Synthesis and Design Optimizations.

    Science.gov (United States)

    Parthasarathy, Anutthaman; Anandamma, Sasikala K; Kalesh, Karunakaran A

    2017-10-12

    Peptide therapeutics have made tremendous progress in the past decade. Many of the inherent weaknesses of peptides which hampered their development as therapeutics are now more or less effectively tackled with recent scientific and technological advancements in integrated drug discovery settings. These include recent developments in synthetic organic chemistry, high-throughput recombinant production strategies, high-resolution analytical methods, high-throughput screening options, ingenious drug delivery strategies and novel formulation preparations. Here, we will briefly describe the key methodologies and strategies used in the therapeutic peptide development processes with select examples of the most recent developments in the field. The aim of this review is to highlight the viable options a medicinal chemist may consider in order to improve a specific pharmacological property of interest in a peptide lead entity and thereby rationally assess the therapeutic potential this class of molecules possesses while they are traditionally (and incorrectly) considered 'undruggable'. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  15. A segmented flow platform for on-demand medicinal chemistry and compound synthesis in oscillating droplets.

    Science.gov (United States)

    Hwang, Ye-Jin; Coley, Connor W; Abolhasani, Milad; Marzinzik, Andreas L; Koch, Guido; Spanka, Carsten; Lehmann, Hansjoerg; Jensen, Klavs F

    2017-06-16

    We report an automated flow chemistry platform that can efficiently perform a wide range of chemistries, including single/multi-phase and single/multi-step, with a reaction volume of just 14 μL. The breadth of compatible chemistries is successfully demonstrated and the desired products are characterized, isolated, and collected online by preparative HPLC/MS/ELSD.

  16. 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

  17. 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.

  18. Nuclear analytical chemistry

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  19. Quantitative Determination of Iron in Limonite Using Spectroscopic Methods with Senior and General Chemistry Students: Geology-Inspired Chemistry Lab Explorations

    Science.gov (United States)

    Bopegedera, A. M. R. P.; Coughenour, Christopher L.; Oswalt, Andrew J.

    2016-01-01

    Limonite is the field term for a mixed assemblage of ferric oxyhydroxides, often containing nonferric silicate impurities. It is abundant on Earth's surface, possesses variable iron content, and is easily recognized by distinctive yellow and ochre hues. Limonite is a unique centerpiece for undergraduate chemistry laboratories because each sample…

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  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. 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...

  9. Science Academies' Refresher Course in Chemistry

    Indian Academy of Sciences (India)

    2017-10-25

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

  10. 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.

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

    Science.gov (United States)

    Yoshikawa, Yutaka; Yasui, Hiroyuki

    2012-01-01

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

  12. 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…

  13. Euphorbia hirta: Its chemistry, traditional and medicinal uses, and pharmacological activities.

    Science.gov (United States)

    Kumar, Sunil; Malhotra, Rashmi; Kumar, Dinesh

    2010-01-01

    The oldest remedies known to mankind are herbal medicines. India is known worldwide for its Ayurvedic treatment. Euphorbia hirta is often used traditionally for female disorders, respiratory ailments (cough, coryza, bronchitis, and asthma), worm infestations in children, dysentery, jaundice, pimples, gonorrhea, digestive problems, and tumors. It is reported to contain alkanes, triterpenes, phytosterols, tannins, polyphenols, and flavanoids. This review describes the medicinal properties, chemical constituents, and other important aspects of Euphorbia hirta.

  14. The EC4 European syllabus for post-graduate training in clinical chemistry and laboratory medicine

    DEFF Research Database (Denmark)

    Wieringa, Gijsbert; Zerah, Simone; Jansen, Rob

    2012-01-01

    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...... 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...

  15. Role of Brine Chemistry and Sorption in Potential Long-Term Storage of Radioactive Waste in Geologic Salt Formations: Experimental Evaluation of Sorption Parameters

    Science.gov (United States)

    Dittrich, T. M.; Emerson, H. P.; Michael, D. P.; Reed, D. T.

    2016-12-01

    Bedded geologic salt formations have been shown to have many favorable properties for the disposal of radioactive waste (i.e., reducing conditions, fracture healing). Performance assessment (PA) modeling for a 10,000 year period for the Waste Isolation Pilot Plant (WIPP) near Carlsbad, NM have predicted an extremely low risk of radioactive material reaching the surrounding environment after the 100 year period required for creep to seal the waste panels and access shafts. Human intrusion caused by drilling operations for oil and gas exploration is the main pathway of concern for environmental release of radioactive material due to pressurized brine pockets located within the salt formation below the repository. Our work focuses on the long-term capability of salt repositories and the associated geologic media to safely isolate stored radioactive waste from the surrounding environment, even in the event of a human intrusion scenario such as a direct brine release (DBR) due to a drilling operation intersecting a brine pocket. In particular, we are revisiting the degree of conservatism in the estimated sorption partition coefficients (Kds) used in the PA model based on complementary batch and column experimental methods (Dittrich and Reimus, 2016). The main focus of this work is to investigate the role of ionic strength, solution chemistry, and oxidation state (III-VI) in actinide sorption to dolomite rock. Based on redox conditions and solution chemistry expected in the WIPP, possible actinide species include Pu(III), Pu(IV), U(IV), U(VI), Np(IV), Np(V), Am(III), and Th(IV). We will present (1) a conceptual overview of Kd use in the PA model, (2) background and evolution of the Kd ranges used, and (3) results from batch and column experiments and model predictions for Kds with WIPP-relevant geologic media. We will also briefly discuss the challenges of upscaling from lab experiments to field scale predictions, the presence of ligands (e.g., acetate, citrate, EDTA

  16. 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.

  17. 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)

  18. 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

  19. 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)

  20. 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.

  1. 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

  2. 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 science and the medical field.

  3. 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.

  4. [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.

  5. 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.

  6. Groundtruthing and potential for predicting acid deposition impacts in headwater streams using bedrock geology, GIS, angling, and stream chemistry.

    Science.gov (United States)

    Kirby, C S; McInerney, B; Turner, M D

    2008-04-15

    Atmospheric acid deposition is of environmental concern worldwide, and the determination of impacts in remote areas can be problematic. Rainwater in central Pennsylvania, USA, has a mean pH of approximately 4.4. Bedrock varies dramatically in its ability to neutralize acidity. A GIS database simplified reconnaissance of non-carbonate bedrock streams in the Valley and Ridge Province and identified potentially chronically impacted headwater streams, which were sampled for chemistry and brook trout. Stream sites (n=26) that originate in and flow through the Tuscarora had a median pH of 5.0 that was significantly different from other formations. Shawangunk streams (n=6) and non-Tuscarora streams (n=20) had a median pH of 6.0 and 6.3, respectively. Mean alkalinity for non-Tuscarora streams (2.6 mg/L CaCO(3)) was higher than the mean for Tuscarora streams (0.5 mg/L). Lower pH and alkalinity suggest that the buffering capability of the Tuscarora is inferior to that of adjacent sandstones. Dissolved aluminum concentrations were much higher for Tuscarora streams (0.2 mg/L; approximately the lethal limit for brook trout) than for non-Tuscarora streams (0.03 mg/L) or Shawangunk streams (0.02 mg/L). Hook-and-line methods determined the presence/absence of brook trout in 47 stream reaches with suitable habitat. Brook trout were observed in 21 of 22 non-Tuscarora streams, all 6 Shawangunk streams, and only 9 of 28 Tuscarora stream sites. Carefully-designed hook-and-line sampling can determine the presence or absence of brook trout and help confirm biological impacts of acid deposition. 15% of 334 km of Tuscarora stream lengths are listed as "impaired" due to atmospheric deposition by the Pennsylvania Department of Environmental Protection. 65% of the 101 km of Tuscarora stream lengths examined in this study were impaired.

  7. 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.

  8. 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.

  9. 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.

  10. Peptide B12: emerging trends at the interface of inorganic chemistry, chemical biology and medicine.

    Science.gov (United States)

    Zelder, Felix; Zhou, Kai; Sonnay, Marjorie

    2013-01-28

    The sophisticated and efficient delivery of vitamin B(12) ("B(12)") into cells offers promise for B(12)-bioconjugates in medicinal diagnosis and therapy. It is therefore surprising that rather little attention is presently paid to an alternative strategy in drug design: the development of structurally perfect, but catalytically inactive semi-artificial B(12) surrogates. Vitamin B(12) cofactors catalyse important biological transformations and are indispensible for humans and most other forms of life. This strong metabolic dependency exhibits enormous medicinal opportunities. Inhibitors of B(12) dependent enzymes are potential suppressors of fast proliferating cancer cells. This perspective article focuses on the design and study of backbone modified B(12) derivatives, particularly on peptide B(12) derivatives. Peptide B(12) is a recently introduced class of biomimetic cobalamins bearing an artificial peptide backbone with adjustable coordination and redox-properties. Pioneering biological studies demonstrated reduced catalytic activity, combined with inhibitory potential that is encouraging for future efforts in turning natural cofactors into new anti-proliferative agents.

  11. 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.

  12. Metal complexes of maltol and close analogues in medicinal inorganic chemistry.

    Science.gov (United States)

    Thompson, Katherine H; Barta, Cheri A; Orvig, Chris

    2006-06-01

    The family of hydroxypyrones and close congeners, the hydroxypyridinones, is a particularly versatile class of ligands. The most widely investigated for medicinal applications are the 3-hydroxy-4-pyrones and the 1,2- 3,2- and 3,4-hydroxypyridinones. Key features of these ligands are: a six-membered ring, with a ring N or O atom either ortho or para to a ketone group, and two ortho exocyclic oxygen atoms. Readily functionalizable, the hydroxypyrones and hydroxypyridinones allow one to achieve a range of di- and trivalent metallocomplex stabilities and can include tissue or molecular targeting features by design. Research over the past several decades has greatly expanded the array of ligands that are the subject of this critical review. Ligand applications as diverse as iron removal or supplementation, contrast agents in imaging applications, and mobilization of undesirable excess metal ions will be surveyed herein.

  13. Recent advances in the development of dopamine D3 receptor antagonists: a medicinal chemistry perspective.

    Science.gov (United States)

    Micheli, Fabrizio

    2011-07-04

    Dopamine (DA) D(3) receptor antagonism might play a significant role in different therapeutic areas. A high number of preclinical studies on DA D(3) receptor antagonists have shown efficacy in animal models of Parkinson's disease, schizophrenia and drug dependence. This Review covers the activities of medicinal chemists in this field over the last ten years towards the identification of truly selective compounds. Both primary and patent literature is reviewed here. Since the original discoveries, a clear trend towards the optimization of the developability properties of the new scaffold has clearly emerged with time, from both academic and industrial researchers. Examples of advanced leads from academia and industry are described. The latest potential therapeutic applications are reported too. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. 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...

  15. Scanning near-field optical microscopy on rough surfaces: applications in chemistry, biology, and medicine

    Directory of Open Access Journals (Sweden)

    2006-01-01

    Full Text Available Shear-force apertureless scanning near-field optical microscopy (SNOM with very sharp uncoated tapered waveguides relies on the unexpected enhancement of reflection in the shear-force gap. It is the technique for obtaining chemical (materials contrast in the optical image of “real world” surfaces that are rough and very rough without topographical artifacts, and it is by far less complicated than other SNOM techniques that can only be used for very flat surfaces. The experimental use of the new photophysical effect is described. The applications of the new technique are manifold. Important mechanistic questions in solid-state chemistry (oxidation, diazotization, photodimerization, surface hydration, hydrolysis are answered with respect to simultaneous AFM (atomic force microscopy and detailed crystal packing. Prehistoric petrified bacteria and concomitant pyrite inclusions are also investigated with local RAMAN SNOM. Polymer beads and unstained biological objects (rabbit heart, shrimp eye allow for nanoscopic analysis of cell organelles. Similarly, human teeth and a cancerous tissue are analyzed. Bladder cancer tissue is clearly differentiated from healthy tissue without staining and this opens a new highly promising diagnostic tool for precancer diagnosis. Industrial applications are demonstrated at the corrosion behavior of dental alloys (withdrawal of a widely used alloy, harmless substitutes, improvement of paper glazing, behavior of blood bags upon storage, quality assessment of metal particle preparations for surface enhanced RAMAN spectroscopy, and determination of diffusion coefficient and light fastness in textile fiber dyeing. The latter applications include fluorescence SNOM. Local fluorescence SNOM is also used in the study of partly aggregating dye nanoparticles within resin/varnish preparations. Unexpected new insights are obtained in all of the various fields that cannot be obtained by other techniques.

  16. 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.

  17. [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.

  18. 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.

  19. 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.

  20. 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

  1. [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.

  2. 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

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

    Science.gov (United States)

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

    2013-01-30

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

  4. 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

    Diabetes mellitus (DM) is one of the oldest known human disease currently affecting more than 200 million people worldwide. Diabetes mellitus is derived from two Greek words meaning siphon and sugar. In DM, patients have high blood level of glucose and this passes out with urine. This is because the endocrine pancreas does not produce either or not enough insulin or the insulin which is produced is not exerting its biochemical effect (or insulin resistance) effectively. Insulin is a major metabolic hormone which has numerous functions in the body and one main role is to stimulate glucose uptake into body's cells where it is utilized to provide energy. The disease is classified into type 1 and type 2 DM. Type 1 DM develops when the insulin producing β cells have been destroyed and are unable to produce insulin. This is very common in children and is treated with insulin. Type 2 DM (T2DM) develops when the body is unable to produce an adequate amount of insulin or the insulin which is provided does not work efficiently. This is due to life style habits including unhealthy diet, obesity, lack of exercise and hereditary and environmental factors. Some symptoms of DM include excess urination, constant thirst, lethargy, weight loss, itching, decreased digestive enzyme secretion, slow wound healing and other related symptoms. If left untreated, DM can result in severe long-term complications such as kidney and heart failure, stroke, blindness, nerve damage, exocrine glands insufficiency and other forms of complications. T2DM can be treated and controlled by prescribed drugs, regular exercise, diet (including some plant-based food) and general change in life style habits. This review is concerned with the role of plant-based medicine to treat DM. One such plant is Momordica charantia which is grown in tropical countries worldwide and it has been used as a traditional herbal medicine for thousands of years although its origin in unknown. This review examines the medicinal

  5. 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.

  6. Passing on the medicinal chemistry baton: training undergraduates to be industry-ready through research projects between the University of Nottingham and GlaxoSmithKline.

    Science.gov (United States)

    Macdonald, Simon J F; Fray, M Jonathan; McInally, Thomas

    2016-06-01

    In this article we describe a radically different industry-academia collaboration between the School of Chemistry, University of Nottingham, and GlaxoSmithKline (GSK), aiming to train students in research and give them an insight into medicinal chemistry as practiced in industry. The project concerns the discovery of potent and selective αvβ6 integrin antagonists to treat idiopathic pulmonary fibrosis; the synthetic chemistry is performed by a group of ten final-year undergraduates and the biological and physicochemical screening data are generated by GSK. The project planning, organisation and operation are discussed, together with some of the challenges and rewards of working with undergraduates. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. 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.

  8. 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

  9. 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.

  10. 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 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.

  11. 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.

  12. Recent advances in medicinal chemistry of sulfonamides. Rational design as anti-tumoral, anti-bacterial and anti-inflammatory agents.

    Science.gov (United States)

    Shah, Syed Shoaib Ahmad; Rivera, Gildardo; Ashfaq, Muhammad

    2013-01-01

    Now-a-days, cancer is becoming one of the major problems of public health in the world. Pharmacology treatment is a way to increase quality and long life. Predominantly, in last decade sulfonamide derivatives have been described as potential carbonic anhydrase inhibitors. In the present work, we describe recent advances during the last decade in medicinal chemistry of sulfonamides derivatives with some examples of rational design as anti-tumoral, antibacterial and anti-inflammatory agents. We show strategy design, structure-activity relationship, biological activity and advances of new sulfonamide compounds that have more health significance than some clinically used sulfonamides.

  13. 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...

  14. 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…

  15. Green chemistry: A tool in Pharmaceutical Chemistry

    OpenAIRE

    Smita Talaviya; Falguni Majumdar

    2012-01-01

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

  16. 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

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

    Directory of Open Access Journals (Sweden)

    Ye Hu

    2014-02-01

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

  18. 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.

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

    Science.gov (United States)

    Smith, David K

    2018-04-26

    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.

  20. 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

  1. 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...

  2. 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

  3. 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.

  4. 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.)

  5. 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.)

  6. Coordination chemistry of technetium 99 applied to biology and medicine; Application de la chimie de coordination du technetium 99 dans le domaine de la biologie et de la medecine

    Energy Technology Data Exchange (ETDEWEB)

    Belhadj-Tahar, H. [Groupe Sante Recherche, Dir. Medical et Scientifique, 31 - Toulouse (France); Darbieu, M.H. [Faculte de Pharmacie de Toulouse, Lab. de Chimie de Coordination, CNRS UPR 8241, 31 - Toulouse (France)

    2003-12-01

    Coordination chemistry of technetium 99 applied to biology and medicine. Rational conceptualisation of new photon emitter probes for in vivo investigations with technetium 99m (on the tracer scale) requires the coordination chemistry of ponderable technetium 99 isotope. Physicochemical and structural studies carried out on technetium 99 complex models enable us to identify predictive parameters involved in radiopharmaceutical in vivo tropism (specificity) for the target bodies. In addition, this work leads to the development and control of a new technetium complexation protocol under physiological conditions (pH {approx} 7.4 and T < 45 deg. C) in order to label bio-vectors without denaturing them. (author)

  7. 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.

  8. 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.…

  9. 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

  10. 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

  11. 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…

  12. 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

  13. Structural Geology

    Science.gov (United States)

    Weber, John; Frankel, Kurt L.

    2011-05-01

    Structural geology and continental tectonics were ushered in to the modern quantitative age of geosciences with the arrival of the global plate tectonics paradigm (circa 1968), derived using new data from the oceans' depths, and John Ramsay's 1967 seminal work, Folding and Fracturing of Rocks. Fossen is to be applauded for crafting a unique, high-caliber, and accessible undergraduate textbook on structural geology that faithfully reflects this advance and the subsequent evolution of the discipline. This well-written text draws on Fossen's wealth of professional experience, including his broad and diverse academic research and experience in the petroleum industry. This book is beautifully illustrated, with excellent original color diagrams and with impressive color field photographs that are all keyed to locations and placed into geologic context.

  14. 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.

  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. New constraints on the subsurface geology of the Mexico City Basin: The San Lorenzo Tezonco deep well, on the basis of 40Ar/39Ar geochronology and whole-rock chemistry

    Science.gov (United States)

    Arce, J. L.; Layer, P. W.; Morales-Casique, E.; Benowitz, J. A.; Rangel, E.; Escolero, O.

    2013-10-01

    The San Lorenzo Tezonco deep well, drilled in 2012 by "Sistema de Aguas de la Ciudad de México" (Water Supply System of Mexico City) in the Mexico Basin to a depth of 2008 m, offers an excellent opportunity to explore the subsurface stratigraphy and general geology of the region. Unfortunately, only chipped samples from this well were recovered, which were examined and analyzed for whole-rock chemistry, 40Ar/39Ar, and U-Pb zircon geochronology, in order to reconstruct the lithology of the well. Contrary to previous deep wells of the Mexico Basin, no basement sedimentary rocks were found in this one. While the upper 70 m are composed of lacustrine sediments associated with Lake Texcoco, volcanic rocks make up the majority of the well and range in age from more than 18 Ma to 0.25 Ma. Andesitic lavas are the most abundant products of the stratigraphic column, followed by acidic products represented by dacitic and rhyolitic lavas and ignimbrite deposits. Less abundant are basaltic andesite lavas appearing in the upper and lower parts of the column. The thickest sequence of the well is represented not only by Miocene volcanic rocks ranging from 5 to 17 Ma, suggesting a period of intense volcanic activity in this area producing mainly andesitic lavas, but also by thick rhyolitic ignimbrite deposits dated at 5 Ma. These deposits suggest the presence of a caldera structure, probably buried by subsequent volcanic products and lacustrine sediments. Trace element concentrations suggest that volcanism is likely produced in a subduction environment with typical negative anomalies of Nb, Ta, Ti, and P and positive anomalies in Pb and Cs. We correlated the well units with units outcropping in mountain ranges in the surrounding area, with the recognition of the following units or formations: Eocene Andesite, San Nicolás Basaltic Andesite, Tepoztlán Formation, Miocene Volcanism, Sierra de las Cruces, and Chichinautzin Volcanic Field products. By correlating the two closest deep

  17. Formation of the scientific activities direction at the department of medicinal and pharmaceutical chemistry (dedicated to 105th birthday anniversary of A. V. Dombrovsky)

    OpenAIRE

    Stadniychuk, Raisa; Bratenko, Mykhaylo; Perepelytsya, Olesya

    2017-01-01

    The article highlights the historical period of activity of the Department of General Chemistry from 1951 to 1953, and the importance of the influence of the personality of Andrei Vladimirovich Dombrovsky on the development of the new scientific direction of the department in the field of organic chemistry-the purposeful organic synthesis of biologically active substances-is revealed. In the course of an insignificant period of time, the head of the department was able to create favorable con...

  18. 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.)

  19. Geology Fulbrights

    Science.gov (United States)

    Fulbright grants in geology for 1988-89 remain open. Specific opportunities are available in Egypt, German Democratic Republic, Hungary, Iceland, Iraq, Kuwait, Morocco, Mozambique, Oman, Poland, Sudan, Syria, Tanzania, Turkey, U.S.S.R., West Bank, Yemen, and Zimbabwe. Other countries are also open to applications in any discipline, and geology is among their preferred fields.The grants are available until awarded and are open only to U.S. citizens. In Central and South America and French-speaking Africa, knowledge of host-country language is required. For more information, contact the Council for International Exchange of Scholars (CIES), 11 Dupont Circle N.W., Suite 300, Washington, DC 20036; tel. 202-939-5401.

  20. 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.

  1. 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...

  2. 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.

  3. Health Benefits of Geologic Materials and Geologic Processes

    Directory of Open Access Journals (Sweden)

    Robert B. Finkelman

    2006-12-01

    Full Text Available 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.

  4. 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.

  5. 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...

  6. 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)

  7. 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

  8. 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.

  9. 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)

  10. 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.

  11. 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

  12. 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.

  13. 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....

  14. 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

  15. 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)

  16. Chemistry in microelectronics

    CERN Document Server

    Le Tiec, Yannick

    2013-01-01

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

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

    Digital Repository Service at National Institute of Oceanography (India)

    Mukhopadhyay, R.; Ghosh, A.K.; 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...

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.)

  3. 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.

  4. [The common position of the Czech professional associations on the consensus of the European Atherosclerosis Society and the European Federation of Clinical Chemistry and Laboratory Medicine regarding investigation on blood lipids and interpretation of their levels].

    Science.gov (United States)

    Soška, Vladimír; Franeková, Janka; Friedecký, Bedřich; Jabor, Antonín; Kraml, Pavel; Rosolová, Hana; Vrablík, Michal

    The aim of this opinion is to summarize and to comment the consensus of the European Atherosclerosis Society and European Federation of Clinical Chemistry and Laboratory Medicine, which covers two main areas: 1) whether it is necessary / required to be fasting or non-fasting before blood sampling for lipids measurement, and what are the changes in the concentration of blood lipids during the day; 2) What decision limits (cut off value) of lipids and lipoproteins should be reported from laboratories and what is the recommended procedure for people with extreme / critical blood lipid values. Following parameters are discused: total cholesterol, LDL cholesterol, HDL cholesterol, non-HDL cholesterol, triglycerides, apolipoprotein A1, apolipoprotein B, lipoprotein(a). This opinion should be the object of interest both for professionals in clinical laboratories and for physicians in hospitals and out-patients departments.Key words: apolipoproteins - blood collection - cholesterol - laboratory testing - lipoprotein(a) - cut off limits - triglycerides.

  5. 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...

  6. California Geological Survey Geologic Map Index

    Data.gov (United States)

    California Department of Resources — 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...

  7. 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

  8. 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

  9. 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.

  10. 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...

  11. 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

  12. 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.

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

    Science.gov (United States)

    Rehman, Shaheed Ur; Choe, Kevin; Yoo, Hye Hyun

    2016-03-10

    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 importantly, the

  14. 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

  15. 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...

  16. 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.)

  17. 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

  18. Medicinal chemistry discoveries among 1,3,5-triazines: recent advances (2000-2013) as antimicrobial, anti-TB, anti-HIV and antimalarials.

    Science.gov (United States)

    Patel, Rahul V; Keum, Young-Soo; Park, Se Won

    2014-01-01

    The chemistry and an extensive spectrum of biological activities of s-triazines have been examined since several decades and this heterocyclic core has received emerging consensus. This article aims to summarize recent advances (2000-2013) made towards the discovery of antimicrobial, antituberculosis, anti-HIV and antimalarial agents holding 1,3,5-triazine ring as a nucleus with the substitution of several types of nucleophiles. Molecular patterns associated with particular potency have been identified targeting several Gram-positive and Gram-negative bacteria and some fungal species, mycobacterium tuberculosis H37Rv, HIV type I and HIV type II, particularly, HIV-1I IIB and HIV- 1ROD strains as well as a variety of P. falciparum malarial strains as chloroquine-resistant K1, chloroquine-susceptible NF54, chloroquine-sensitive 3D7, P. falciparum (D6 clone), P. falciparum (W2 clone), cycloguanil-resistant FCR-3, chloroquine sensitive RKL2. The report will be of considerable interest to gain useful information for the furtherance of drug discovery with extended 1,3,5-triazine designs.

  19. 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.

  20. 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).

  1. 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

  2. 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.

  3. 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,

  4. 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

  5. Supramolecular Chemistry

    Indian Academy of Sciences (India)

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

  6. 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...

  7. 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.

  8. 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.

  9. Analytical chemistry

    Czech Academy of Sciences Publication Activity Database

    Křivánková, Ludmila

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

  10. Is laboratory medicine ready for the era of personalized medicine?

    DEFF Research Database (Denmark)

    Malentacchi, Francesca; Mancini, Irene; Brandslund, Ivan

    2015-01-01

    in the integration of personalized medicine in routine health care and set the state-of-the-art knowledge about personalized medicine and laboratory medicine in Europe, a questionnaire was constructed under the auspices of the European Federation of Clinical Chemistry and Laboratory Medicine (EFLM) and the European......Developments in "-omics" are creating a paradigm shift in laboratory medicine leading to personalized medicine. This allows the increase in diagnostics and therapeutics focused on individuals rather than populations. In order to investigate whether laboratory medicine is ready to play a key role...... Society of Pharmacogenomics and Personalised Therapy (ESPT). The answers of the participating laboratory medicine professionals indicate that they are aware that personalized medicine can represent a new and promising health model, and that laboratory medicine should play a key role in supporting...

  11. 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

  12. 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...

  13. Geophysics & Geology Inspected.

    Science.gov (United States)

    Neale, E. R. W.

    1981-01-01

    Summarizes findings of a recently published report of the Canadian Geoscience Council, which includes the following topics regarding college geology: facilities; teaching; undergraduate enrollments; postgraduate enrollments; geologic research; and integration of Canadian geoscience with other countries. (CS)

  14. 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.

  15. 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

  16. Circumstellar chemistry

    International Nuclear Information System (INIS)

    Glassgold, A.E.

    1989-01-01

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

  17. Polymer Chemistry

    Science.gov (United States)

    Williams, Martha; Roberson, Luke; Caraccio, Anne

    2010-01-01

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

  18. 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....

  19. 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.

  20. 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

  1. Confectionary Chemistry.

    Science.gov (United States)

    Levine, Elise Hilf

    1996-01-01

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

  2. Supramolecular Chemistry

    Indian Academy of Sciences (India)

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

  3. Food carbohydrate chemistry

    National Research Council Canada - National Science Library

    Wrolstad, R. E

    2012-01-01

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

  4. 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...

  5. 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 ...

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. 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

  11. 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

  12. 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.)

  13. 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

  14. 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'

  15. Green chemistry

    International Nuclear Information System (INIS)

    Colonna, P.

    2006-01-01

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

  16. Applications of Fluorine in Medicinal Chemistry.

    Science.gov (United States)

    Gillis, Eric P; Eastman, Kyle J; Hill, Matthew D; Donnelly, David J; Meanwell, Nicholas A

    2015-11-12

    The role of fluorine in drug design and development is expanding rapidly as we learn more about the unique properties associated with this unusual element and how to deploy it with greater sophistication. The judicious introduction of fluorine into a molecule can productively influence conformation, pKa, intrinsic potency, membrane permeability, metabolic pathways, and pharmacokinetic properties. In addition, (18)F has been established as a useful positron emitting isotope for use with in vivo imaging technology that potentially has extensive application in drug discovery and development, often limited only by convenient synthetic accessibility to labeled compounds. The wide ranging applications of fluorine in drug design are providing a strong stimulus for the development of new synthetic methodologies that allow more facile access to a wide range of fluorinated compounds. In this review, we provide an update on the effects of the strategic incorporation of fluorine in drug molecules and applications in positron emission tomography.

  17. 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.

  18. 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.

  19. (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, ...

  20. The Geology of Titan

    Science.gov (United States)

    Jaumann, Ralf

    Titan, the largest and most complex satellite in the solar system exhibits an organic dominated surface chemistry and shares surface features with other large icy satellites as well as the terrestrial planets. It is subject to tidal stresses, and its surface appears to have been modified tectonically. Cassini's global observations at infrared and radar wavelengths as well as local investigations by the instruments on the Huygens probe has revealed that Titan has the largest known abundance of organic material in the solar system apart from Earth, and that its active hydrological cycle is analogous to that of Earth, but with methane replacing water. The surface of Titan exhibits morphological features of different sizes and origins created by geological processes that span the entire dynamic range of aeolian, fluvial and tectonic activities, with likely evidence that cryovolcanism might exists where liquid water, perhaps in concert with ammonia, methane and carbon dioxide, makes its way to the surface from the interior [e.g. 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18]. Extended dune fields, lakes, mountainous terrain, dendritic erosion patterns and erosional remnants indicate dynamic surface processes. Valleys, small-scale gullies and rounded cobbles require erosion by extended energetic flow of liquids. There is strong evidence that liquid hydrocarbons are ponded on the surface in lakes, predominantly, but not exclusively, at high northern latitudes. A variety of features including extensive flows and caldera-like constructs are interpreted to be cryovolcanic in origin. Chains and isolated blocks of rugged terrain rising from smoother areas are best described as mountains and might be related to tectonic processes. Impact craters form on all solid bodies in the solar system, and have been detected on Titan. But very few have been observed so they must be rapidly destroyed or buried by other geologic processes The morphologies of the impact

  1. 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

  2. Geology of the seashore

    OpenAIRE

    Institute, Marine

    2013-01-01

    There are many different types of beaches around Ireland. By looking at the geology of the seashore, students can study its rocks, soil, and minerals and learn about its origins. The geology of the seashore also offers a natural environment for many species and plants to live.

  3. 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.

  4. 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.)

  5. Interstellar chemistry

    Science.gov (United States)

    Klemperer, William

    2006-01-01

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

  6. 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

  7. 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 ...

  8. 76 FR 13629 - Draft Guidance for Industry on Chemistry, Manufacturing, and Controls Information-Fermentation...

    Science.gov (United States)

    2011-03-14

    ...] Draft Guidance for Industry on Chemistry, Manufacturing, and Controls Information--Fermentation-Derived Intermediates, Drug Substances, and Related Drug Products for Veterinary Medicinal Use; Availability AGENCY... announcing the availability of a draft guidance for industry 216 entitled ``Chemistry, Manufacturing, and...

  9. 77 FR 14022 - Guidance for Industry on Chemistry, Manufacturing, and Controls Information-Fermentation-Derived...

    Science.gov (United States)

    2012-03-08

    ...] Guidance for Industry on Chemistry, Manufacturing, and Controls Information--Fermentation-Derived Intermediates, Drug Substances, and Related Drug Products for Veterinary Medicinal Use; Availability AGENCY... announcing the availability of a guidance for industry 216 entitled ``Chemistry, Manufacturing, and Controls...

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. Glossary of Geology

    Science.gov (United States)

    Jackson, Julia A.

    The Glossary has expanded coverage particularly in such active fields as carbonate sedimentology, environmental geology and geophysics, GIS, GPS, hydrology and hydraulics, marine and coastal geology, organic geochemistry, paleoecology, seismology, stratigraphic nomenclature, speleology and karst, and structural geology and tectonics. Many definitions provide a syllabification guide and background information. Thus a reader will learn the difference between look-alike pairs, such as sylvanite (a mineral) and sylvinite (a rock); the origin of terms; the meaning of abbreviations and acronyms common in the geosciences vocabulary; the dates many terms were first used; the meaning of certain prefixes; and the preferred term of two or more synonyms.

  15. 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

  16. Geological workshop for primary schools

    Directory of Open Access Journals (Sweden)

    Nina Rman

    2010-06-01

    Full Text Available Systematical teaching of geology is (yet not established in primary and secondary school in Slovenia. In primaryschool, geological topics are divided among numerous subjects and levels therefore they receive more attention onlyif alternative courses or geological circles are realized. With help of the Geological Survey of Slovenia we have beensuccessfully performing a geological workshop for primary school pupils aiming to popularize geology. With it pupilsare acquainted with methodologies for identification of rocks, minerals, fossils and properties of water.

  17. 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

  18. 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.

  19. 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

  20. 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

  1. Theoretical chemistry

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

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

  2. 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).

  3. 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

  4. 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...

  5. Geologic and Seismologic Investigation

    Science.gov (United States)

    1988-12-01

    Utah, Embankment Criteria and Performance Report, August 1994 2. Caliente Creek Stream Group Investigation California, Draft Feasibility Report. June...trenching and soil-stratigraphic investigations east of Sacramento, north of the study area ( Tierra Engineering Consultants, 1983) at Folsom Dam showed...Geologic Map of California, Olaf P. Jenkins edition, Mariposa Sheet: California Division qf Mines and Geology, Scale 1:250,000. Tierra Entgineering

  6. 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.)

  7. 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

  8. Designing a Mathematics Course for Chemistry and Geology Students

    Science.gov (United States)

    Witten, Gareth Q.

    2005-01-01

    Many mathematics departments usually teach a variety of courses for students from different science departments and even from different faculties. These "service" courses are usually taught in the same way as the courses for mathematics major students. However, in science, because of the need to better analyse and interpret experimental…

  9. 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.

  10. Science Update: Inorganic Chemistry.

    Science.gov (United States)

    Rawls, Rebecca

    1981-01-01

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

  11. 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.

  12. Nuclear Medicine.

    Science.gov (United States)

    Badawi, Ramsey D.

    2001-01-01

    Describes the use of nuclear medicine techniques in diagnosis and therapy. Describes instrumentation in diagnostic nuclear medicine and predicts future trends in nuclear medicine imaging technology. (Author/MM)

  13. 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)

  14. Geologic map of Mars

    Science.gov (United States)

    Tanaka, Kenneth L.; Skinner, James A.; Dohm, James M.; Irwin, Rossman P.; Kolb, Eric J.; Fortezzo, Corey M.; Platz, Thomas; Michael, Gregory G.; Hare, Trent M.

    2014-01-01

    This global geologic map of Mars, which records the distribution of geologic units and landforms on the planet's surface through time, is based on unprecedented variety, quality, and quantity of remotely sensed data acquired since the Viking Orbiters. These data have provided morphologic, topographic, spectral, thermophysical, radar sounding, and other observations for integration, analysis, and interpretation in support of geologic mapping. In particular, the precise topographic mapping now available has enabled consistent morphologic portrayal of the surface for global mapping (whereas previously used visual-range image bases were less effective, because they combined morphologic and albedo information and, locally, atmospheric haze). Also, thermal infrared image bases used for this map tended to be less affected by atmospheric haze and thus are reliable for analysis of surface morphology and texture at even higher resolution than the topographic products.

  15. 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

  16. Geology of Io

    Science.gov (United States)

    Greeley, R.; Craddock, R. A.; Crown, D. A.; Leshin, L. A.; Schaber, G. G.

    1987-01-01

    Geologic mapping of the Jovian satellite Io has been completed at 1:15,000,000 scale for an area lying between +40 and -90 deg latitude and 230 and 45 deg longitude, which includes portions of the Ruwa Patera quadrangle (Ji2) and the Lerna Region (Ji4) and the westernmost section of the Colchis Region (Ji3). Image resolution in the mapped area is commonly 0.5 to 2 km/pxl. High resolution areas (less than .5 km/pxl) are located near the south pole (Lerna Region) and in eastern Ruwa Patera quadrangle. Geologic maps for the Ruwa Patera quadrangle (Ji2) and the Lerna Region (Ji4) have been produced at 1:5,000,000 scale. The present effort reexamines the previously mapped areas and synthesizes the geology of Io on a global scale.

  17. The geology of Ganymede

    Science.gov (United States)

    Shoemaker, E. M.; Lucchitta, B. K.; Wilhelms, D. E.; Plescia, J. B.; Squyres, S. W.

    A broad outline of the geologic history of Ganymede is presented, obtained from a first attempt to map the geology on a global scale and to interpret the characteristics of the observed geologic units. Features of the ancient cratered terrain such as craters and palimpsests, furrows and troughs, are discussed. The grooved terrain is described, including its sulci and cells, and the age relation of these units is considered along with the structure and origin of this terrain. The Gilgamesh Basin and Western Equatorial Basin in the post grooved terrain are treated, as are the bright and dark ray craters and the regolith. The development of all these regions and features is discussed in context. For the regolith, this includes the effect of water migration, sputtering, and thermal annealing. The histories of the ancient cratered terrain, the grooved terrain, and the post grooved terrain are presented.

  18. Geological fakes and frauds

    Science.gov (United States)

    Ruffell, Alastair; Majury, Niall; Brooks, William E.

    2012-02-01

    Some geological fakes and frauds are carried out solely for financial gain (mining fraud), whereas others maybe have increasing aesthetic appeal (faked fossils) or academic advancement (fabricated data) as their motive. All types of geological fake or fraud can be ingenious and sophisticated, as demonstrated in this article. Fake gems, faked fossils and mining fraud are common examples where monetary profit is to blame: nonetheless these may impact both scientific theory and the reputation of geologists and Earth scientists. The substitution or fabrication of both physical and intellectual data also occurs for no direct financial gain, such as career advancement or establishment of belief (e.g. evolution vs. creationism). Knowledge of such fakes and frauds may assist in spotting undetected geological crimes: application of geoforensic techniques helps the scientific community to detect such activity, which ultimately undermines scientific integrity.

  19. 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)

  20. 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

  1. Upper Secondary Chemistry Students in a Pharmacochemistry Research Community

    NARCIS (Netherlands)

    van Rens, L.; van Muijlwijk, J.; Beishuizen, J.J.; van der Schee, J.A.

    2011-01-01

    This study deals with the participation of 10 upper secondary chemistry students, aged 16-17, and their chemistry teacher in a pharmacochemistry research community on anti-allergy medicines at VU University, Amsterdam, The Netherlands. Participation of students in scientific research raises the

  2. 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.

  3. 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

  4. Chemistry in Our Life

    Indian Academy of Sciences (India)

    IAS Admin

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

  5. Chemistry of high energies

    International Nuclear Information System (INIS)

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

    1988-01-01

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

  6. 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

  7. TEACHING 'NATURAL PRODUCT CHEMISTRY' IN TANZANIA

    African Journals Online (AJOL)

    Temechegn

    Explain the stages of structure elucidation and know some of the techniques used. • Understand the significance of natural products within drug discovery and the valuable knowledge gained from traditional medicine. Lecture Outline. Introduction to Natural Product Chemistry. • What are natural products? • The history of ...

  8. 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

  9. 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....

  10. 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

  11. 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

  12. Palynology and environmental geology

    NARCIS (Netherlands)

    Manten, A.A.

    1967-01-01

    A brief survey of the possibilities and problems of palynology as a contributor to the progress of palaeogeography, palaeoclimatology and palaeoecology is presented. Also shown is how these fields and other branches of the earth sciences which contribute to environmental geology may, in their turn,

  13. Deconstructing geologic slip rates

    Science.gov (United States)

    Gold, R. D.

    2017-12-01

    Discrepancies between geologic and geodetic slip rates are recognized globally. However, understanding the significance of those discrepancies requires a complete inventory of the sources of uncertainty often deeply hidden or ignored in slip-rate estimates. In this presentation, I will examine underappreciated complexities associated with geologic estimates of fault slip rates along strike-slip faults. Slip-rate measurements are made from geomorphic features displaced by faulting and age constraints derived from chronologic or stratigraphic data. Sources of uncertainty associated with offset measurements include measurement errors, ambiguities in feature reconstructions, and distributed faulting and bulk off-fault deformation. Sources of uncertainty associated with age constraints include analytical uncertainties, inheritance in the sample material, post-depositional contamination, and often most critically, ambiguity in how to associate sample ages with the landforms or deposits from which they were collected. Additional sources of uncertainty associated with slip-rate measurements include the time interval over which geologic slip rates are determined (e.g., number of earthquake cycles) and the impact of secular variation in slip. I will use case studies from the San Andreas fault system, the Walker Lane, and Tibet to explore sources of uncertainty in geologic slip rates and highlight practices that can mitigate those uncertainties. I will emphasize the need for bracketing the age of faulted landforms using numerous geochronometers, documenting numerous offset landforms, and sampling a range of magnitudes of slip in a probabilistic framework.

  14. 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

  15. Heart failure - medicines

    Science.gov (United States)

    CHF - medicines; Congestive heart failure - medicines; Cardiomyopathy - medicines; HF - medicines ... will need to take most of your heart failure medicines every day. Some medicines are taken once ...

  16. 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

  17. 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.)

  18. 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

  19. Vesta: A Geological Overview

    Science.gov (United States)

    Jaumann, R.

    2012-04-01

    Observations from the Dawn spacecraft [1] enable the derivation of the asteroid 4Vesta's shape, facilitate mapping of the surface geology, and provide the first evidence for interpreting Vesta's geological evolution. Science data were acquired during the approach to Vesta, a circular polar (Survey) orbit at an altitude of 2700 km providing ~ 230 m/pix camera scale, and during a circular high-altitude mapping orbit (HAMO) at 700 km altitude with a camera scale of ~ 65 m/pixel. Currently Dawn is orbiting Vesta in a low-altitude mapping orbit (LAMO) at 210 km altitude, yielding a global image coverage of ~20 m/pixel at the time of EGU [2,3,4,5]. Geomorphology and distribution of surface features provide evidence for impact cratering, tectonic activity, and regolith and probable volcanic processes. Craters with dark rays, bright rays, and dark rim streaks have been observed, suggesting buried stratigraphy. The largest fresh craters retain a simple bowl-shaped morphology, with depth/diameter ratios roughly comparable to lunar values. The largest crater Rheasilvia, an ~500 km diameter depression at the south pole, includes an incomplete inward facing cuspate scarp and a large central mound surrounded by unusual complex arcuate ridge and groove patterns, and overlies an older ~400 km wide basin. A set of large equatorial troughs is related to these south polar structures. Vesta exhibits rugged topography ranging from -22 km to +19 km relative to a best fit ellipsoidal shape. Vesta's topography has a much greater range in elevation relative to its radius (15%) than do the Moon and Mars (1%) or the Earth (0.3%), but less than highly battered smaller asteroids like Lutetia (40%). This also identifies Vesta as a transitional body between asteroids and planets. The surface of Vesta exhibits very steep topographic slopes that are near the angle of repose. Impacts onto these steep surfaces, followed by slope failure, make resurfacing - due to impacts and their associated

  20. Making a Natural Product Chemistry Course Meaningful with a Mini Project Laboratory

    Science.gov (United States)

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

    2016-01-01

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

  1. 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.

  2. 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.

  3. 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.

  4. 77 FR 19032 - Geological Survey

    Science.gov (United States)

    2012-03-29

    ... No: 2012-7479] DEPARTMENT OF THE INTERIOR Geological Survey Announcement of National Geospatial Advisory Committee Meeting AGENCY: U.S. Geological Survey, Interior. ACTION: Notice of meeting. SUMMARY... Arista Maher at the U.S. Geological Survey (703-648-6283, [email protected] ). Registrations are due by...

  5. Coordination Chemistry of Life Processes: Bioinorganic Chemistry

    Indian Academy of Sciences (India)

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

  6. 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)

  7. 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.

  8. The Geology of Callisto

    Science.gov (United States)

    Schenk, Paul M.

    1995-01-01

    The geology of Callisto is not boring. Although cratered terrain dominates Callisto (a key end-member of the Jovian satellite system), a number of more interesting features are apparent. Cratered terrain is broken into irregular map-able bright and dark subunits that vary in albedo by a factor of 2, and several relatively smooth units are depleted of small craters. Some of these areas may have been volcanically resurfaced. Lineaments, including parallel and radial sets, may be evidence for early global tectonism. Frost deposition occurs in cold traps, and impact scars have formed from tidally disrupted comets. Geologic evidence suggests that Callisto does have a chemically differentiated crust. Central pit and central dome craters and palimpsests are common. The preferred interpretation is that a relatively ice-rich material, at depths of 5 km or more, has been mobilized during impact and exposed as domes or palimpsests. The close similarity in crater morphologies and dimensions indicates that the outermost 10 km or so of Callisto may be as differentiated as on Ganymede. The geology of cratered terrain on Callisto is simpler than that of cratered terrain on Ganymede, however. Orbital evolution and tidal heating may provide the answer to the riddle of why Callisto and Ganymede are so different (Malhotra, 1991). We should expect a few surprises and begins to answer some fundamental questions when Callisto is observed by Galileo in late 1996.

  9. Chemistry activities at VECC

    International Nuclear Information System (INIS)

    Das, S.K.; Guin, R.; Choudhury, D.P.

    2009-01-01

    Since the commissioning of the cyclotron, chemists have been involved in different research activities. Potential of chemistry to separate elements from each other has been utilized to measure mass and charge distribution in medium energy fission. Mechanism of nuclear reactions with light and heavy ion projectiles has been studied with special reference to the incomplete fusion process. Radiochemical separation of radioisotopes in carrier-free form from the bulk target material is an important activity chemists are involved in. Fullerene research with reference to the synthesis of endofullerene has been carried out by implanting radioisotopes into the C 60 cage using nuclear reactions with heavy ions. These radioendofullerenes have important applications. Charged particle activation analysis (CPAA) using both light and heavy ions has been utilized to estimate impurity in the level of sub ppm in different matrices. Thin layer activation (ILA) has been used for wear analysis of different materials. Heavy ions in the higher energy regime from the forthcoming Superconducting Cyclotron (SCC) would be used for the synthesis of multitracer mixture which has important uses in nuclear medicine. Heavy ions from SCC would also be used to produce and study the defects in different materials using hyperfine technique. High current particle beam from medical cyclotron would be used to synthesize a number of radioisotopes which would be utilized in various basic research and applications. (author)

  10. 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.

  11. 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.

  12. Modern hot-atom chemistry and its applications

    International Nuclear Information System (INIS)

    Tominaga, T.; Tachikawa, E.

    1981-01-01

    In the chapter of experimental techniques production of energetic atoms, radiochemical separation and special physical techniques are described. The chapter of characteristics of hot atom reactions treats gas phase, liquid phase and solid phase hot atom reactions. The chapter of applications of hot atom chemistry and related topics contains applications in inorganic, analytical and geochemistry, in physical chemistry, in Biochemistry and Nuclear Medicine, hot atom chemistry in energy-related research and current topics related to hot atom chemistry and future scope. (SPI) [de

  13. 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.

  14. 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.

  15. 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...

  16. Environmental chemistry: Volume A

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T.F.

    1999-08-01

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

  17. Organometallic Chemistry of Molybdenum.

    Science.gov (United States)

    Lucas, C. Robert; Walsh, Kelly A.

    1987-01-01

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

  18. 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

  19. 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

  20. 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 ...

  1. Herbal Medicine

    Science.gov (United States)

    ... for its scent, flavor, or therapeutic properties. Herbal medicines are one type of dietary supplement. They are ... and fresh or dried plants. People use herbal medicines to try to maintain or improve their health. ...

  2. 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

  3. 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.

  4. Chemistry is Evergreen

    Indian Academy of Sciences (India)

    Srimath

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

  5. Chemistry of interstellar space

    International Nuclear Information System (INIS)

    Gammon, R.H.

    1978-01-01

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

  6. Analytical chemistry instrumentation

    International Nuclear Information System (INIS)

    Laing, W.R.

    1986-01-01

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

  7. 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

  8. 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

  9. Introduction to Applied Colloid and Surface Chemistry

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Kiil, Søren

    Colloid and Surface Chemistry is a subject of immense importance and implications both to our everyday life and numerous industrial sectors, ranging from coatings and materials to medicine and biotechnology. How do detergents really clean? (Why can’t we just use water ?) Why is milk “milky” Why do......, to the benefit of both the environment and our pocket. Cosmetics is also big business! Creams, lotions and other personal care products are really just complex emulsions. All of the above can be explained by the principles and methods of colloid and surface chemistry. A course on this topic is truly valuable...

  10. 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

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. 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)

  16. The geology of Mars

    Science.gov (United States)

    Mutch, T. A.; Arvidson, R. E.; Head, J. W., III; Jones, K. L.; Saunders, R. S.

    1976-01-01

    The book constitutes a topographic/geologic atlas of Mars compiled on the basis of data from the various Mariner missions. A large number of maps has been included which systematically describe the character and distribution of the principal landforms: craters, channels, volcanoes, and faults; also related properties such as albedo, elevation, and wind streaks. Pictures of all the important topographic features have been included. The discussion of the material is carried out with a minimum of technical detail, and Mars is examined within a context of interplanetary comparisons.

  17. Geologic mapping of Vesta

    Science.gov (United States)

    Yingst, R. A.; Mest, S. C.; Berman, D. C.; Garry, W. B.; Williams, D. A.; Buczkowski, D.; Jaumann, R.; Pieters, C. M.; De Sanctis, M. C.; Frigeri, A.; Le Corre, L.; Preusker, F.; Raymond, C. A.; Reddy, V.; Russell, C. T.; Roatsch, T.; Schenk, P. M.

    2014-11-01

    We report on a preliminary global geologic map of Vesta, based on data from the Dawn spacecraft's High-Altitude Mapping Orbit (HAMO) and informed by Low-Altitude Mapping Orbit (LAMO) data. This map is part of an iterative mapping effort; the geologic map has been refined with each improvement in resolution. Vesta has a heavily-cratered surface, with large craters evident in numerous locations. The south pole is dominated by an impact structure identified before Dawn's arrival. Two large impact structures have been resolved: the younger, larger Rheasilvia structure, and the older, more degraded Veneneia structure. The surface is also characterized by a system of deep, globe-girdling equatorial troughs and ridges, as well as an older system of troughs and ridges to the north. Troughs and ridges are also evident cutting across, and spiraling arcuately from, the Rheasilvia central mound. However, no volcanic features have been unequivocally identified. Vesta can be divided very broadly into three terrains: heavily-cratered terrain; ridge-and-trough terrain (equatorial and northern); and terrain associated with the Rheasilvia crater. Localized features include bright and dark material and ejecta (some defined specifically by color); lobate deposits; and mass-wasting materials. No obvious volcanic features are evident. Stratigraphy of Vesta's geologic units suggests a history in which formation of a primary crust was followed by the formation of impact craters, including Veneneia and the associated Saturnalia Fossae unit. Formation of Rheasilvia followed, along with associated structural deformation that shaped the Divalia Fossae ridge-and-trough unit at the equator. Subsequent impacts and mass wasting events subdued impact craters, rims and portions of ridge-and-trough sets, and formed slumps and landslides, especially within crater floors and along crater rims and scarps. Subsequent to the formation of Rheasilvia, discontinuous low-albedo deposits formed or were

  18. Geologic Mapping of Vesta

    Science.gov (United States)

    Yingst, R. A.; Mest, S. C.; Berman, D. C.; Garry, W. B.; Williams, D. A.; Buczkowski, D.; Jaumann, R.; Pieters, C. M.; De Sanctis, M. C.; Frigeri, A.; hide

    2014-01-01

    We report on a preliminary global geologic map of Vesta, based on data from the Dawn spacecraft's High- Altitude Mapping Orbit (HAMO) and informed by Low-Altitude Mapping Orbit (LAMO) data. This map is part of an iterative mapping effort; the geologic map has been refined with each improvement in resolution. Vesta has a heavily-cratered surface, with large craters evident in numerous locations. The south pole is dominated by an impact structure identified before Dawn's arrival. Two large impact structures have been resolved: the younger, larger Rheasilvia structure, and the older, more degraded Veneneia structure. The surface is also characterized by a system of deep, globe-girdling equatorial troughs and ridges, as well as an older system of troughs and ridges to the north. Troughs and ridges are also evident cutting across, and spiraling arcuately from, the Rheasilvia central mound. However, no volcanic features have been unequivocally identified. Vesta can be divided very broadly into three terrains: heavily-cratered terrain; ridge-and-trough terrain (equatorial and northern); and terrain associated with the Rheasilvia crater. Localized features include bright and dark material and ejecta (some defined specifically by color); lobate deposits; and mass-wasting materials. No obvious volcanic features are evident. Stratigraphy of Vesta's geologic units suggests a history in which formation of a primary crust was followed by the formation of impact craters, including Veneneia and the associated Saturnalia Fossae unit. Formation of Rheasilvia followed, along with associated structural deformation that shaped the Divalia Fossae ridge-and-trough unit at the equator. Subsequent impacts and mass wasting events subdued impact craters, rims and portions of ridge-and-trough sets, and formed slumps and landslides, especially within crater floors and along crater rims and scarps. Subsequent to the formation of Rheasilvia, discontinuous low-albedo deposits formed or were

  19. 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...

  20. 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)

  1. 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)

  2. 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

  3. 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

  4. 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...

  5. 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

  6. Terrestrial analogs, planetary geology, and the nature of geological reasoning

    Science.gov (United States)

    Baker, Victor R.

    2014-05-01

    Analogical reasoning is critical to planetary geology, but its role can be misconstrued by those unfamiliar with the practice of that science. The methodological importance of analogy to geology lies in the formulation of genetic hypotheses, an absolutely essential component of geological reasoning that was either ignored or denigrated by most 20th century philosophers of science, who took the theoretical/ experimental methodology of physics to be the sole model for all of scientific inquiry. Following the seminal 19th century work of Grove Karl Gilbert, an early pioneer of planetary geology, it has long been recognized that broad experience with and understanding of terrestrial geological phenomena provide geologists with their most effective resource for the invention of potentially fruitful, working hypotheses. The actions of (1) forming such hypotheses, (2) following their consequences, and (3) testing those consequences comprise integral parts of effective geological practice in regard to the understanding of planetary surfaces. Nevertheless, the logical terminology and philosophical bases for such practice will be unfamiliar to most planetary scientists, both geologists and nongeologists. The invention of geological hypotheses involves both inductive inferences of the type Gilbert termed “empiric classification” and abductive inferences of a logical form made famous by the 19th century American logician Charles Sanders Peirce. The testing and corroboration of geological hypotheses relies less on the correspondence logic of theoretical/ experimental sciences, like physics, and more on the logic of consistency, coherence, and consilience that characterizes the investigative and historical sciences of interpretation exemplified by geology.

  7. Structural Geology and Map Interpretation

    Science.gov (United States)

    Helper, Mark A.

    1998-06-01

    Geological maps lay flat the three-dimensional architecture of a region's rock record. In doing so, they reveal and document geometrical relationships and geological histories that would otherwise be difficult, if not impossible, to visualize. They are a primary data source for a wide range of practical applications, from civil engineering, mining, and energy resource exploration to urban planning and geologic hazard mitigation, and are literally the "ground truth" for understanding environments and processes of the Earth's past. Their utility resides not only in a plan-view portrayal of surface geology, but in the geometrical information they contain that allows projection of surface geology to the subsurface, or into regions where surface control is lacking. Understanding this predictive capacity and being able to read and truly appreciate a geological map's three-dimensional character are among the most unique and important skills a geologist masters. These same skills are unfortunately among the most difficult for students to learn.

  8. Mathematical Statistics in the Geology

    Directory of Open Access Journals (Sweden)

    Blišťan Peter

    1999-06-01

    Full Text Available During the last period is modern geology oriented toward intensive utilisation of mathematical methods. Utilisation of these methods was conditioned by complicated structure of geological bodies, which resulted from interaction of a couple of factors. In the period of projection, realisation and evaluation of geological works one meet many problems of description of a character of geological data. These problems – very often trivial – arise from the poor knowledge of the principles of statistical methods. Transformation of real geological object into the form of abstract mathematical model is the basic and usually also the most complicated step of mathematical solution. There is also to be mentioned that there is no unitary approach to the modelling or uniform direction for a method of data processing selection. Complicacy of geological objects needs rational simplification of the model, otherwise the solution would be too complicated or even impossible.

  9. Scientific Journals as Fossil Traces of Sweeping Change in the Structure and Practice of Modern Geology

    Directory of Open Access Journals (Sweden)

    H. L. Vacher

    2008-01-01

    Full Text Available In our attempts to track changes in geological practice over time and to isolate the source of these changes, we have found that they are largely connected with the germination of new geologic subdisciplines. We use keyword and title data from articles in 68 geology journals to track the changes in influence of each subdiscipline on geology over all. Geological research has shifted emphasis over the study period, moving away from economic geology and petroleum geology, towards physics- and chemistry-based topics. The Apollo lunar landings had as much influence on the topics and practice of geological research as the much-cited plate-tectonics revolution. These results reflect the barely-tangible effects of the changes in vocabulary and habit of thought that have pervaded the substance of geology. Geological literature has increased in volume and specialization, resulting in a highly fragmentary literature. However, we infer that "big science," characterized by large amounts of funding, collaboration, and large logistical investments, makes use of this specialization and turns "twigging" into a phenomenon that enhances, rather than inhibits, the enterprise of research.

  10. 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.

  11. Geologic map of Io

    Science.gov (United States)

    Williams, David A.; Keszthelyi, Laszlo P.; Crown, David A.; Yff, Jessica A.; Jaeger, Windy L.; Schenk, Paul M.; Geissler, Paul E.; Becker, Tammy L.

    2011-01-01

    Io, discovered by Galileo Galilei on January 7–13, 1610, is the innermost of the four Galilean satellites of the planet Jupiter (Galilei, 1610). It is the most volcanically active object in the Solar System, as recognized by observations from six National Aeronautics and Space Administration (NASA) spacecraft: Voyager 1 (March 1979), Voyager 2 (July 1979), Hubble Space Telescope (1990–present), Galileo (1996–2001), Cassini (December 2000), and New Horizons (February 2007). The lack of impact craters on Io in any spacecraft images at any resolution attests to the high resurfacing rate (1 cm/yr) and the dominant role of active volcanism in shaping its surface. High-temperature hot spots detected by the Galileo Solid-State Imager (SSI), Near-Infrared Mapping Spectrometer (NIMS), and Photopolarimeter-Radiometer (PPR) usually correlate with darkest materials on the surface, suggesting active volcanism. The Voyager flybys obtained complete coverage of Io's subjovian hemisphere at 500 m/pixel to 2 km/pixel, and most of the rest of the satellite at 5–20 km/pixel. Repeated Galileo flybys obtained complementary coverage of Io's antijovian hemisphere at 5 m/pixel to 1.4 km/pixel. Thus, the Voyager and Galileo data sets were merged to enable the characterization of the whole surface of the satellite at a consistent resolution. The United States Geological Survey (USGS) produced a set of four global mosaics of Io in visible wavelengths at a spatial resolution of 1 km/pixel, released in February 2006, which we have used as base maps for this new global geologic map. Much has been learned about Io's volcanism, tectonics, degradation, and interior since the Voyager flybys, primarily during and following the Galileo Mission at Jupiter (December 1995–September 2003), and the results have been summarized in books published after the end of the Galileo Mission. Our mapping incorporates this new understanding to assist in map unit definition and to provide a global synthesis

  12. Practical aspects of geological prediction

    International Nuclear Information System (INIS)

    Mallio, W.J.; Peck, J.H.

    1981-01-01

    Nuclear waste disposal requires that geology be a predictive science. The prediction of future events rests on (1) recognizing the periodicity of geologic events; (2) defining a critical dimension of effect, such as the area of a drainage basin, the length of a fault trace, etc; and (3) using our understanding of active processes the project the frequency and magnitude of future events in the light of geological principles. Of importance to nuclear waste disposal are longer term processes such as continental denudation and removal of materials by glacial erosion. Constant testing of projections will allow the practical limits of predicting geological events to be defined. 11 refs

  13. 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)

  14. [Expedition medicine].

    Science.gov (United States)

    Donlagić, Lana

    2009-01-01

    Expedition and wildeness medicine is a term that combines rescue medicine, sport medicine as well as more specific branches as polar or high altitude medicine. It is being intensively studied both at the reaserch institutes and on expeditions. Ophtalmologists are concentrated on the reaserch of HARH (High Altitude Retinal Hemorrhage), neurologists on HACE reaserch (High Altitude Cerebral Edema), psychologists are developing tests to decsribe cognitive functions and many physicians are being trained to work in extreme enviroment. The result of all this effort are numerous new findings in pathophysiology and therapy of altitude illness, increased security on expedition and further development of expeditionism.

  15. 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

  16. Geology of Europa

    Science.gov (United States)

    Greeley, R.; Chyba, C.; Head, J. W.; McCord, T.; McKinnon, W. B.; Pappalardo, R. T.

    2004-01-01

    Europa is a rocky object of radius 1565 km (slightly smaller than Earth s moon) and has an outer shell of water composition estimated to be of order 100 km thick, the surface of which is frozen. The total volume of water is about 3 x 10(exp 9) cubic kilometers, or twice the amount of water on Earth. Moreover, like its neighbor Io, Europa experiences internal heating generated from tidal flexing during its eccentric orbit around Jupiter. This raises the possibility that some of the water beneath the icy crust is liquid. The proportion of rock to ice, the generation of internal heat, and the possibility of liquid water make Europa unique in the Solar System. In this chapter, we outline the sources of data available for Europa (with a focus on the Galileo mission), review previous and on-going research on its surface geology, discuss the astrobiological potential of Europa, and consider plans for future exploration.

  17. Geology of National Parks

    Science.gov (United States)

    Stoffer, Philip W.

    2008-01-01

    This is a set of two sheets of 3D images showing geologic features of many National Parks. Red-and-cyan viewing glasses are need to see the three-dimensional effect. A search on the World Wide Web will yield many sites about anaglyphs and where to get 3D glasses. Red-blue glasses will do but red-cyan glasses are a little better. This publication features a photo quiz game: Name that park! where you can explore, interpret, and identify selected park landscapes. Can you identify landscape features in the images? Can you explain processes that may have helped form the landscape features? You can get the answers online.

  18. Astronomy and Geology Vocabulary, I.e. "NASA Words" in Native American Languages

    Science.gov (United States)

    Angrum, A.; Alexander, C. J.; Martin, M.

    2014-12-01

    The US Rosetta Project has developed a program in Native American communities in which contemporary STEM vocabulary is taught alongside the same vocabulary in Navajo. NASA images and science are used and described in the native language, alongside both lay English, and scientific English. Additionally, science curriculum (geology/chemistry/botany/physics) elements drawn from the reservation environment, including geomorphology, geochemistry, soil physics, are included and discussed in the native language as much as possible — with their analogs in other planetary environments (such as Mars). The program began with a student defining 30 Navajo words to describe what he called 'NASA' words, such as: cell phone, astronaut, space suit, computer, and planets not visible to the naked eye. The use of NASA material and imagery have a positive impact on the accessibility of the overall STEM material but community involvement, and buy-in, is criti! cal to the success of the program. The US Rosetta Project modified its goals, and curriculum, to accommodate the programmatic desires of teachers in the district, and the capabilities of the medicine men that agreed to participate. In this presentation we will report on lessons learned, as well as metrics and successes associated with our most recent Summer Science Academy [2014].

  19. 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.

  20. Orbital interactions in chemistry

    CERN Document Server

    Albright, Thomas A; Whangbo, Myung-Hwan

    2013-01-01

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

  1. Hydrogeological Properties of Geological Elements in Geological Model around KURT

    International Nuclear Information System (INIS)

    Park, Kyung Woo; Kim, Kyung Soo; Koh, Yong Kwon; Choi, Jong Won

    2012-01-01

    To develop site characterization technologies for a radioactive waste disposal research in KAERI, the geological and hydrogeological investigations have been carried out since 1997. In 2006, the KURT (KAERI Underground Research Tunnel) was constructed to study a solute migration, a microbiology and an engineered barrier system as well as deeply to understand geological environments in in-situ condition. This study is performed as one of the site characterization works around KURT. Several investigations such as a lineament analysis, a borehole/tunnel survey, a geophyscial survey and logging in borehole, were used to construct the geological model. As a result, the geological model is constructed, which includes the lithological model and geo-structural model in this study. Moreover, from the results of the in-situ hydraulic tests, the hydrogeological properties of elements in geological model were evaluated.

  2. Geologic Framework Model (GFM2000)

    Energy Technology Data Exchange (ETDEWEB)

    T. Vogt

    2004-08-26

    The purpose of this report is to document the geologic framework model, version GFM2000 with regard to input data, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, and the differences between GFM2000 and previous versions. The version number of this model reflects the year during which the model was constructed. This model supersedes the previous model version, documented in Geologic Framework Model (GFM 3.1) (CRWMS M&O 2000 [DIRS 138860]). The geologic framework model represents a three-dimensional interpretation of the geology surrounding the location of the monitored geologic repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain. The geologic framework model encompasses and is limited to an area of 65 square miles (168 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the geologic framework model (shown in Figure 1-1) were chosen to encompass the exploratory boreholes and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The upper surface of the model is made up of the surface topography and the depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The geologic framework model was constructed from geologic map and borehole data. Additional information from measured stratigraphic sections, gravity profiles, and seismic profiles was also considered. The intended use of the geologic framework model is to provide a geologic framework over the area of interest consistent with the level of detailed needed for hydrologic flow and radionuclide transport modeling through the UZ and for repository design. The model is limited by the availability of data and relative amount of geologic complexity found in an area. The geologic framework model is inherently limited by scale and content. The grid spacing used in the

  3. Geologic Framework Model (GFM2000)

    International Nuclear Information System (INIS)

    T. Vogt

    2004-01-01

    The purpose of this report is to document the geologic framework model, version GFM2000 with regard to input data, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, and the differences between GFM2000 and previous versions. The version number of this model reflects the year during which the model was constructed. This model supersedes the previous model version, documented in Geologic Framework Model (GFM 3.1) (CRWMS M and O 2000 [DIRS 138860]). The geologic framework model represents a three-dimensional interpretation of the geology surrounding the location of the monitored geologic repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain. The geologic framework model encompasses and is limited to an area of 65 square miles (168 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the geologic framework model (shown in Figure 1-1) were chosen to encompass the exploratory boreholes and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The upper surface of the model is made up of the surface topography and the depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The geologic framework model was constructed from geologic map and borehole data. Additional information from measured stratigraphic sections, gravity profiles, and seismic profiles was also considered. The intended use of the geologic framework model is to provide a geologic framework over the area of interest consistent with the level of detailed needed for hydrologic flow and radionuclide transport modeling through the UZ and for repository design. The model is limited by the availability of data and relative amount of geologic complexity found in an area. The geologic framework model is inherently limited by scale and content. The grid spacing used in

  4. 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.)

  5. 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...

  6. Science Update: Analytical Chemistry.

    Science.gov (United States)

    Worthy, Ward

    1980-01-01

    Briefly discusses new instrumentation in the field of analytical chemistry. Advances in liquid chromatography, photoacoustic spectroscopy, the use of lasers, and mass spectrometry are also discussed. (CS)

  7. DOE fundamentals handbook: Chemistry

    International Nuclear Information System (INIS)

    1993-01-01

    This handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. This volume contains the following modules: reactor water chemistry (effects of radiation on water chemistry, chemistry parameters), principles of water treatment (purpose; treatment processes [ion exchange]; dissolved gases, suspended solids, and pH control; water purity), and hazards of chemicals and gases (corrosives [acids, alkalies], toxic compounds, compressed gases, flammable/combustible liquids)

  8. 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...

  9. Green Chemistry Pedagogy

    Science.gov (United States)

    Kolopajlo, Larry

    2017-02-01

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

  10. 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...

  11. Is laboratory medicine ready for the era of personalized medicine? A survey addressed to laboratory directors of hospitals/academic schools of medicine in Europe

    DEFF Research Database (Denmark)

    Malentacchi, F.; Mancini, I.; Brandslund, I.

    2015-01-01

    in the integration of personalized medicine in routine health care and set the state-of-the-art -knowledge about personalized medicine and laboratory medicine in Europe, a questionnaire was constructed under the auspices of the European Federation of Clinical Chemistry and Laboratory Medicine (EFLM) and the European......Developments in "-omics" are creating a paradigm shift in laboratory medicine leading to personalized medicine. This allows the increase in diagnostics and therapeutics focused on individuals rather than populations. In order to investigate whether laboratory medicine is ready to play a key role...... Society of Pharmacogenomics and Personalised Therapy (ESPT). The answers of the participating laboratory medicine professionals indicate that they are aware that personalized medicine can represent a new and promising health model, and that laboratory medicine should play a key role in supporting...

  12. A state geological survey commitment to environmental geology - the Texas Bureau of Economic Geology

    International Nuclear Information System (INIS)

    Wermund, E.G.

    1990-01-01

    In several Texas environmental laws, the Bureau of Economic Geology is designated as a planning participant and review agency in the process of fulfilling environmental laws. Two examples are legislation on reclamation of surface mines and regulation of processing low level radioactive wastes. Also, the Bureau is the principal geological reviewer of all Environmental Assessments and Environmental Impact Statements which the Office of the Governor circulates for state review on all major developmental activities in Texas. The BEG continues its strong interest in environmental geology. In February 1988, it recommitted its Land Resources Laboratory, initiated in 1974, toward fulfilling needs of state, county, and city governments for consultation and research on environmental geologic problems. An editorial from another state geological survey would resemble the about description of texas work in environmental geology. State geological surveys have led federal agencies into many developments of environmental geology, complemented federal efforts in their evolution, and continued a strong commitment to the maintenance of a quality environment through innovative geologic studies

  13. 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…

  14. Hydro chemistry of public-benefit-declared mineral and medicinal waters in the province of Leon; Hidroquimica de las aguas minerales y minero-medicinales declaradas de utilidad publica en la provincia de Leon

    Energy Technology Data Exchange (ETDEWEB)

    Aller Urdiales, A.; Gomez Fernandez, E.; Martinez Moran, O.; Moran Palao, A. [Escuela Universitaria de Ingenieria Tecnica Minera, Departamento de Fisica y Quimica, Universidad de Leon, Leon (Spain)

    1996-09-01

    In this work the inventory of historically Public-Benefit-declared mineral and medicinal waters of Leon is set out. these waters are studied through 26 parameters. These parameters are divided in the following groups: general features (source emergence temperature), pH, conductivity, dry residue, dissolved oxygen and CDO, major components (bicarbonate, sulfate, chloride, calcium, magnesium, sodium and potassium), oligoelements (manganese, lead, zinc, cobalt and boron), undesirable components (ammonium, nitrites and nitrates), and other components (fluoride, hydrogen sulphur, silica, lithium and iron). These features are chareacteriszed in relation to dry residue at 110 degree centigree and are classified according Firstly to characteristic components (ferruginous, sulphurous, fluorous...), and secondly, to major anions and cations (calcium-bicarbonated, magnesium-sulfated...). (Author) 9 refs.

  15. Geology of hydrothermal uranium deposits

    International Nuclear Information System (INIS)

    Korolev, K.G.; Belov, V.K.; Putilov, G.S.

    1983-01-01

    Geological characteristics of hydrothermal phosphorus-uranium deposits placed in sedimentary, igneous-sedimentary, metamorphic and intrusion formations are presented. Attention is paid to mineral composition, texture and structure of ores, their genesis, tectonics. Geochemical peculiarities of ores and age of molybdenum-uranium and uranium deposits are described. Geological criteria and prospecting features of uranium and uranium-molybdenum deposits are given

  16. Technetium and rhenium: coordination chemistry and nuclear medical applications

    OpenAIRE

    Abram,Ulrich; Alberto,Roger

    2006-01-01

    Coordination compounds of the radioactive element technetium are well established in diagnostic nuclear medicine, and various complexes of the gamma-emitting nuclide 99mTc are routinely used for organ imaging. Modern trends in the radiopharmaceutical chemistry of technetium focus on the 'labeling' of biologically active molecules such as peptides, steroids or other receptor-seeking units. This requires more knowledge about the coordination chemistry of the artificial transition metal, particu...

  17. Recent advances in the chemistry and biology of pyridopyrimidines.

    Science.gov (United States)

    Buron, F; Mérour, J Y; Akssira, M; Guillaumet, G; Routier, S

    2015-05-05

    The interest in pyridopyrimidine cores for pharmaceutical products makes this scaffold a highly useful building block for organic chemistry. These derivatives have found applications in various areas of medicine such as anticancer, CNS, fungicidal, antiviral, anti-inflammatory, antimicrobial, and antibacterial therapies. This review mainly focuses on the progress achieved since 2004 in the chemistry and biological activity of pyridopyrimidines. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  18. The Geologic Nitrogen Cycle

    Science.gov (United States)

    Johnson, B. W.; Goldblatt, C.

    2013-12-01

    N2 is the dominant gas in Earth's atmosphere, and has been so through the majority of the planet's history. Originally thought to only be cycled in significant amounts through the biosphere, it is becoming increasingly clear that a large degree of geologic cycling can occur as well. N is present in crustal rocks at 10s to 100s of ppm and in the mantle at 1s to perhaps 10s of ppm. In light of new data, we present an Earth-system perspective of the modern N cycle, an updated N budget for the silicate Earth, and venture to explain the evolution of the N cycle over time. In an fashion similar to C, N has a fast, biologically mediated cycle and a slower cycle driven by plate tectonics. Bacteria fix N2 from the atmosphere into bioavailable forms. N is then cycled through the food chain, either by direct consumption of N-fixing bacteria, as NH4+ (the primary waste form), or NO3- (the most common inorganic species in the modern ocean). Some organic material settles as sediment on the ocean floor. In anoxic sediments, NH4+ dominates; due to similar ionic radii, it can readily substitute for K+ in mineral lattices, both in sedimentary rocks and in oceanic lithosphere. Once it enters a subduction zone, N may either be volatilized and returned to the atmosphere at arc volcanoes as N2 or N2O, sequestered into intrusive igneous rocks (as NH4+?), or subducted deep into the mantle, likely as NH4+. Mounting evidence indicates that a significant amount of N may be sequestered into the solid Earth, where it may remain for long periods (100s m.y.) before being returned to the atmosphere/biosphere by volcanism or weathering. The magnitude fluxes into the solid Earth and size of geologic N reservoirs are poorly constrained. The size of the N reservoirs contained in the solid Earth directly affects the evolution of Earth's atmosphere. It is possible that N now sequestered in the solid Earth was once in the atmosphere, which would have resulted in a higher atmospheric pressure, and

  19. Annual report 1988 Chemistry Department

    International Nuclear Information System (INIS)

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

    1989-05-01

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

  20. Annual report 1989 Chemistry Department

    International Nuclear Information System (INIS)

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

    1990-03-01

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