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)

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.

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.

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

Science.gov (United States)

Hoffmann, Torsten; Bishop, Cheryl

2010-04-01

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

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.

Organic carbamates in drug design and medicinal chemistry.

Science.gov (United States)

Ghosh, Arun K; Brindisi, Margherita

2015-04-09

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

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

OpenAIRE

Olson, John R.

2012-01-01

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

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.

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.

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.

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.

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

National Research Council Canada - National Science Library

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

2011-01-01

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

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.

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.

Physics and Its Interfaces with Medicinal Chemistry and Drug Design

Science.gov (United States)

Santos, Ricardo N.; Andricopulo, Adriano D.

2013-08-01

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

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.

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…

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.

Reaxys Medicinal Chemistry

OpenAIRE

2015-01-01

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

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 ...

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.

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)

Halogenase engineering and its utility in medicinal chemistry.

Science.gov (United States)

Fraley, Amy E; Sherman, David H

2018-06-15

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

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.

Digital Geologic Map Database of Medicine Lake Volcano, Northern California

Science.gov (United States)

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

2010-12-01

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

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.

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

Science.gov (United States)

Ganellin, C Robin

2004-02-15

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

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...

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.

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 [...

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

International Nuclear Information System (INIS)

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

1981-01-01

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

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.

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.

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…

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.

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.

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...

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.

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.

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.

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....

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.

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.

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.

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.

Nuclear analytical chemistry

Energy Technology Data Exchange (ETDEWEB)

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

1984-01-01

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

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

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)

"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…

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.

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.

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

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.

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.

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.

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.

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.

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.

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.

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

Science.gov (United States)

Ojima, Iwao

2012-10-01

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

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.

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

Science.gov (United States)

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

2014-04-01

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

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.

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

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.

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

Directory of Open Access Journals (Sweden)

Simge Varol

2008-08-01

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

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

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.

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.

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,…

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.

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.

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.

Shock modification and chemistry and planetary geologic processes

International Nuclear Information System (INIS)

Boslough, M.S.

1991-01-01

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

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.

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…

Fragment-to-Lead Medicinal Chemistry Publications in 2015.

Science.gov (United States)

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

2017-01-12

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

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.

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

Science.gov (United States)

Körber, Friedrich; Plebani, Mario

2013-01-01

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

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.

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.

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.

Acidic and basic drugs in medicinal chemistry: a perspective.

Science.gov (United States)

Charifson, Paul S; Walters, W Patrick

2014-12-11

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

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)

Third International Electronic Conference on Medicinal Chemistry (ECMC-3

Directory of Open Access Journals (Sweden)

Annie Mayence

2018-02-01

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

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.

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.

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.

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.

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

Science.gov (United States)

Mast, M. Alisa

2013-01-01

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

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)

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.

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

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

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.…

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

Science.gov (United States)

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

2014-09-11

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

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…

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.

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

Science.gov (United States)

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

2018-03-22

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

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.

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.

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.

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

International Nuclear Information System (INIS)

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

2000-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

NONE

2008-04-15

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

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.

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

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

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

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

Science.gov (United States)

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

2011-04-01

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

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)

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".

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.

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

Science.gov (United States)

Castonguay, S

1996-01-01

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

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…

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.

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

Science.gov (United States)

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

2016-09-20

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

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)

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.

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

Science.gov (United States)

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

2012-09-10

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

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...

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.

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

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

Science.gov (United States)

Izuka, Scot K.; Ewart, Charles J.

1995-01-01

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

[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.

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.

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)

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.

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)

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.

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)

TEACHING 'NATURAL PRODUCT CHEMISTRY' IN TANZANIA

African Journals Online (AJOL)

Temechegn

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

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...

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

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.

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.

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

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.

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

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.

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

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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.

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.

Biological Actions of Artemisinin: Insights from Medicinal Chemistry Studies

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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.

Contributions of charge-density research to medicinal chemistry

Directory of Open Access Journals (Sweden)

Birger Dittrich

2014-11-01

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

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.

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

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

2003-03-01

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

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…

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.

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.

Kaempferol and inflammation: From chemistry to medicine.

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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.

Laboratory hemostasis: milestones in Clinical Chemistry and Laboratory Medicine.

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Lippi, Giuseppe; Favaloro, Emmanuel J

2013-01-01

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

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

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

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

2005-01-01

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

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.

A Structural View on Medicinal Chemistry Strategies against Drug Resistance.

Science.gov (United States)

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

2018-05-30

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

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

Science.gov (United States)

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

2002-03-01

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

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.

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

Science.gov (United States)

Bertomeu-Sánchez, José Ramón

2015-01-01

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

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…

Frontiers in Gold Chemistry

OpenAIRE

Ahmed A. Mohamed

2015-01-01

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

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

Science.gov (United States)

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

2015-04-01

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

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

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

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

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

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.

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.

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.

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

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

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)

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.

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

OpenAIRE

Williams, Antony

2015-01-01

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

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

Science.gov (United States)

Debue-Barazer, Christine

2007-01-01

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

Future in actinoids coordination chemistry

International Nuclear Information System (INIS)

Kitazawa, Takafumi

2006-01-01

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

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)

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

Science.gov (United States)

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

2018-06-05

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

"Drug" Discovery with the Help of Organic Chemistry.

Science.gov (United States)

Itoh, Yukihiro; Suzuki, Takayoshi

2017-01-01

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

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

Science.gov (United States)

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

2016-01-01

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

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

Directory of Open Access Journals (Sweden)

Maria Emília Sousa

2016-03-01

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

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

Physics, radiology, and chemistry. 5. ed.

International Nuclear Information System (INIS)

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

1978-01-01

This book is an introduction into physics and chemistry especially for medical personnel. After a general introduction, measurement methods, mechanics including mechanics of colid bodies, fluids and gases, heat, optics, acoustics, electricity, radiations including their biological effects, general chemistry, anorganic and organic chemistry are treated. Every chapter contains exercises mostly in connection with medical and biological effects. Futhermore connections with biology and medicine are considered. (HSI) [de

Geologic map of Medicine Lake volcano, northern California

Science.gov (United States)

Donnelly-Nolan, Julie M.

2011-01-01

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

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)

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

International Nuclear Information System (INIS)

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

1986-01-01

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

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.

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.

Eleventh international conference on boron chemistry. Programme and abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-07-01

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

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

Advanced bioanalytics for precision medicine.

Science.gov (United States)

Roda, Aldo; Michelini, Elisa; Caliceti, Cristiana; Guardigli, Massimo; Mirasoli, Mara; Simoni, Patrizia

2018-01-01

Precision medicine is a new paradigm that combines diagnostic, imaging, and analytical tools to produce accurate diagnoses and therapeutic interventions tailored to the individual patient. This approach stands in contrast to the traditional "one size fits all" concept, according to which researchers develop disease treatments and preventions for an "average" patient without considering individual differences. The "one size fits all" concept has led to many ineffective or inappropriate treatments, especially for pathologies such as Alzheimer's disease and cancer. Now, precision medicine is receiving massive funding in many countries, thanks to its social and economic potential in terms of improved disease prevention, diagnosis, and therapy. Bioanalytical chemistry is critical to precision medicine. This is because identifying an appropriate tailored therapy requires researchers to collect and analyze information on each patient's specific molecular biomarkers (e.g., proteins, nucleic acids, and metabolites). In other words, precision diagnostics is not possible without precise bioanalytical chemistry. This Trend article highlights some of the most recent advances, including massive analysis of multilayer omics, and new imaging technique applications suitable for implementing precision medicine. Graphical abstract Precision medicine combines bioanalytical chemistry, molecular diagnostics, and imaging tools for performing accurate diagnoses and selecting optimal therapies for each patient.

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.

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

Science.gov (United States)

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

2018-01-01

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

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...

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.

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)

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

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

Modeling study on geological environment at Horonobe URL site

International Nuclear Information System (INIS)

Shimo, Michito; Yamamoto, Hajime; Kumamoto, Sou; Fujiwara, Yasushi; Ono, Makoto

2005-02-01

The Horonobe underground research project has been operated by Japan Nuclear Cycle Development Institute to study the geological environment of sedimentary rocks in deep underground. The objectives of this study are to develop a geological environment model, which incorporate the current findings and the data obtained through the geological, geophysical, and borehole investigations at Horonobe site, and to predict the hydrological and geochemical impacts caused by the URL shaft excavation to the surrounding area. A three-dimensional geological structure model was constructed, integrating a large-scale model (25km x 15km) and a high-resolution site-scale model (4km x 4km) that have been developed by JNC. The constructed model includes surface topography, geologic formations (such as Yuchi, Koetoi, Wakkanai, and Masuporo Formations), and two major faults (Ohomagari fault and N1 fault). In hydrogeological modeling, water-conductive fractures identified in Wakkanai Formation are modeled stochastically using EHCM (Equivalent Heterogeneous Continuum Model) approach, to represent hydraulic heterogeneity and anisotropy in the fractured rock mass. Numerical code EQUIV FLO (Shimo et al., 1996), which is a 3D unsaturated-saturated groundwater simulator capable of EHCM, was used to simulate the regional groundwater flow. We used the same model and the code to predict the transient hydrological changes caused by the shaft excavations. Geochemical data in the Horonobe site such as water chemistries, mineral compositions of rocks were collected and summarized into digital datasets. M3 (Multivariate, Mixing and Mass-balance) method developed by SKB (Laaksoharju et al., 1999) was used to identify waters of different origins, and to infer the mixing ratio of these end-members to reproduce each sample's chemistry. Thermodynamic code such as RHREEQC, GWB, and EQ3/6 were used to model chemical reactions that explain the present minerals and aqueous concentrations observed in the site

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

Science.gov (United States)

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

2009-12-01

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

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

Science.gov (United States)

Takeda, Shuso

2013-01-01

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

The Indian Ocean nodule field: Geology and resource potential

Digital Repository Service at National Institute of Oceanography (India)

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

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

Use of combinatorial chemistry to speed drug discovery.

Science.gov (United States)

Rádl, S

1998-10-01

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

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

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.

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.)

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.

Geological disposal of high-level radioactive waste and geological environment in Japan

International Nuclear Information System (INIS)

Shimizu, Kazuhiko; Seo, Toshihiro; Yshida, Hidekazu

2001-01-01

The geological environment has two main functions in terms of ensuring the safety of geological disposal of high-level radioactive waste. One relates to the fundamental long-term stability of the site and the other to the properties of the host rock formations and groundwaters which facilitate the emplacement of the engineered barrier system and act as a natural barrier. In this connection, the feasibility of selecting a geological environment in Japan which is appropriate for geological disposal was discussed, based on findings obtained from case studies and field measurements. Considering long-term stability of the site, it is important to understand the effects and spatial distributions of the natural phenomena such as fault movement, volcanic activity, uplift/denudation and climatic/sea-level changes. Fault movement and volcanic activity are relatively localized phenomena, and can be avoided by considering only areas that are sufficiently remote from existing volcanoes and major active faults for these phenomena to have a negligible probability of causing significant effects. Uplift/denudation and climatic/sea-level changes are gradual phenomena and are more ubiquitous. It is, nevertheless, possible to estimate future trends by extrapolating the past changes into the future, and then to identify areas that may not be affected significantly by such phenomena. Considering the properties of the host rocks and groundwaters, it can be understood, from the presently available data, that deep groundwater in Japan generally flows slowly and its chemistry is in a reduced state. The data also suggest that deep rock masses, where the ground temperature is acceptably low and the rock pressure is almost homogeneous, are widely located throughout Japan. Based on the examination of the geological environment in Japan, it is possible to discuss the requirements for the geological environment to be considered and the investigations to be performed during the site selection

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.

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.

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.

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

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.

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

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.

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

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

Identification of major sources controlling groundwater chemistry ...

Indian Academy of Sciences (India)

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

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

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

Directory of Open Access Journals (Sweden)

Ma N

2015-03-01

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

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

International Nuclear Information System (INIS)

1999-01-01

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

PHARMACOLOGICAL AND MEDICINAL CHEMISTRY ASPECTS OF CANNABIS COMPOUNDS

Directory of Open Access Journals (Sweden)

T. Cotelea

2011-12-01

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

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

Inorganic and organic radiation chemistry: state and problems

International Nuclear Information System (INIS)

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

1990-01-01

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

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.

Micro-XRF : Elemental Analysis for In Situ Geology and Astrobiology Exploration

Science.gov (United States)

Allwood, Abigail; Hodyss, Robert; Wade, Lawrence

2012-01-01

The ability to make close-up measurements of rock chemistry is one of the most fundamental tools for astrobiological exploration of Mars and other rocky bodies of the solar system. When conducting surface-based exploration, lithochemical measurements provide critical data that enable interpretation of the local geology, which in turn is vital for determining habitability and searching for evidence of life. The value of lithochemical measurements for geological interpretations has been repeatedly demonstrated with virtually every landed Mars mission over the past four decades.

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

Science.gov (United States)

Wehle, Sarah

2016-01-01

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

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

Science.gov (United States)

Wehle, Sarah; Decker, Michael

2016-04-25

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

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

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)

Integrating Chemistry: Crossing the Millennium Divide.

Science.gov (United States)

Housecroft, Catherine E

2018-02-01

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

Rock-Bound Arsenic Influences Ground Water and Sediment Chemistry Throughout New England

Science.gov (United States)

Robinson, Gilpin R.; Ayotte, Joseph D.

2007-01-01

The information in this report was presented at the Northeastern Region Geological Society of America meeting held March 11-14, 2007, in Durham, New Hampshire. In the New England crystalline bedrock aquifer, concentrations of arsenic that exceed the drinking water standard of 10 ?g/L occur most frequently in ground water from wells sited in specific metamorphic and igneous rock units. Geochemical investigations indicate that these geologic units typically have moderately elevated whole-rock concentrations of arsenic compared to other rocks in the region. The distribution of ground water wells with As > 5 ?g/L has a strong spatial correlation with specific bedrock units where average whole-rock concentrations of arsenic exceed 1.1 mg/kg and where geologic and geochemical factors produce high pH ground water. Arsenic concentrations in stream sediments collected from small drainages reflect the regional distribution of this natural arsenic source and have a strong correlation with both rock chemistry and the distribution of bedrock units with elevated arsenic chemistry. The distribution of ground water wells with As > 5 ?g/L has a strong spatial correlation with the distribution of stream sediments where concentrations of arsenic exceed 6 mg/kg. Stream sediment chemistry also has a weak correlation with the distribution of agricultural lands where arsenical pesticides were used on apple, blueberry, and potato crops. Elevated arsenic concentrations in bedrock wells, however, do not correlate with agricultural areas where arsenical pesticides were used. These results indicate that both stream sediment chemistry and the solubility and mobility of arsenic in ground water in bedrock are influenced by host-rock arsenic concentrations. Stream sediment chemistry and the distribution of geologic units have been found to be useful parameters to predict the areas of greatest concern for elevated arsenic in ground water and to estimate the likely levels of human exposure to

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

Science.gov (United States)

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

2011-09-01

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

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

Directory of Open Access Journals (Sweden)

Xinyan Li

2018-03-01

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

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.)

Medicinal chemistry inspired fragment-based drug discovery.

Science.gov (United States)

Lanter, James; Zhang, Xuqing; Sui, Zhihua

2011-01-01

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

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.

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.

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.)

Integrated path towards geological storage

International Nuclear Information System (INIS)

Bouchard, R.; Delaytermoz, A.

2004-01-01

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

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.

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...

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.)

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

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

Science.gov (United States)

Swords, B

1998-08-01

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

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)

A coordination chemistry approach for modeling trace element adsorption

International Nuclear Information System (INIS)

Bourg, A.C.M.

1986-01-01

The traditional distribution coefficient, Kd, is highly dependent on the water chemistry and the surface properties of the geological system being studied and is therefore quite inappropriate for use in predictive models. Adsorption, one of the many processes included in Kd values, is described here using a coordination chemistry approach. The concept of adsorption of cationic trace elements by solid hydrous oxides can be applied to natural solids. The adsorption process is thus understood in terms of a classical complexation leading to the formation of surface (heterogeneous) ligands. Applications of this concept to some freshwater, estuarine and marine environments are discussed. (author)

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.

Abstracts Book of 3. All-Polish Conference on Radiochemistry and Nuclear Chemistry

International Nuclear Information System (INIS)

2001-01-01

The development of radiochemistry and nuclear chemistry in Poland have been presented during the 3. All-Polish Conference on Radiochemistry and Nuclear Chemistry held in Kazimierz Dolny in May 2001. The broad range of problems connected with radiochemistry and nuclear chemistry application in environmental protection and quality control, nuclear medicine and radiation protection, radioactive waste processing and many other scientific and everyday problems solution have been extensively presented and discussed

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.

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

The Heavy Links between Geological Events and Vascular Plants Evolution: A Brief Outline.

Science.gov (United States)

Piombino, Aldo

2016-01-01

Since the rise of photosynthesis, life has influenced terrestrial atmosphere, particularly the O2 and the CO2 content (the latter being originally more than 95%), changing the chemistry of waters, atmosphere, and soils. Billions of years after, a far offspring of these first unicellular forms conquered emerging lands, not only completely changing landscape, but also modifying geological cycles of deposition and erosion, many chemical and physical characteristics of soils and fresh waters, and, more, the cycle of various elements. So, there are no doubts that vascular plants modified geology; but it is true that also geology has affected (and, more, has driven) plant evolution. New software, PyRate, has determined vascular plant origin and diversification through a Bayesian analysis of fossil record from Silurian to today, particularly observing their origination and extinction rate. A comparison between PyRate data and geological history suggests that geological events massively influenced plant evolution and that also the rise of nonflowering seed plants and the fast diffusion of flowering plants can be explained, almost partly, with the environmental condition changes induced by geological phenomena.

Annual report 1987 - 1988

International Nuclear Information System (INIS)

Whitley, J.E.

1990-01-01

The Scottish Universities Research and Reactor Centre (SURRC) is an inter-University research centre which seeks to provide, in its own right, a Scottish centre of excellence in key areas of the isotopic, nuclear and earth sciences and, as a shared equipment and resource centre, to offer collaborative research facilities and expertise for the benefit of the staff and students of a Consortium of Scottish Universities. In terms of its research interests, the Centre currently offers a wide range of facilities and expertise in subject areas including geology, medicine, biology, engineering, archaeology, environmental science, chemistry and physics. Foremost of the Centre's activities is the work of the Isotope Geology Unit (IGU). Particular in-house interests relate to the development and application of new techniques of measuring radiogenic and stable isotopes in the geological and geochemical contexts. Joint work of the Isotope Geology Unit and the Nuclear Medicine group has resulted in a growing interest and capability in the application of enriched stable isotope tracers in the biological and clinical sciences. The SURRC also has a range of facilities and expertise in areas involving measurements of radioactive, rather than stable, isotopes. The applications cross many subject boundaries, including Quaternary geology, archaeology, nuclear medicine, health physics, oceanography, atmospheric sciences, environmental chemistry/radioactivity, nuclear waste disposal and mathematical modelling of the environment. (author)

Alteration of R7T7-type nuclear glass in deep geological storage conditions

International Nuclear Information System (INIS)

Combarieu, G. de

2007-02-01

This PhD thesis is aimed to study the alteration of SON68 glass, French inactive glass of R7T7-type, in contact with near field materials of a deep geological storage (French concept from ANDRA) which are mainly metallic iron and Callovo-Oxfordian clay. Therefore, experiments involving a 'glass-iron-clay' system at lab-scale have been carried out. Interactions between glass, iron and clay have been characterised from submicron to millimeter scale by means of SEM, TEM, XRD and XAS and Raman spectroscopies in terms of chemistry and crystal-chemistry. In the mean time, a conceptual model of glass alteration has been developed to account for most of the experimental observations and known mechanisms of alteration. The model has been then transposed within the transport-chemistry code HYTEC, together with developed models of clay and iron corrosion, to simulate the experiments described above. This work is thus a contribution to the understanding of iron corrosion in Callovo-Oxfordian clay and subsequent glass alteration in the newly formed corrosion products, the whole process being considered as a lab-scale model of a deep geological storage of radioactive wastes. (author)

Advanced radiation chemistry research: Current status

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-10-01

Radiation chemistry is a branch of chemistry that studies chemical transformations in materials exposed to high-energy radiations. It is based on the use of ionizing radiation as the initiator or catalyst in chemical reactions. The most significant advantage of radiation chemistry lies in its ability to be used in the production and study of almost any reactive atomic and molecular species playing a part in chemical reaction, synthesis, industrial processes, or in biological systems. Over the the last few years a number of meetings have taken place, under the auspices of the IAEA, in order to evaluate recent developments in radiation chemistry as well as the trends indicated by the results obtained. Radiation chemists from different countries have participated at these meetings. The present publication, a companion to the previous publication - New Trends and Development in Radiation Chemistry, IAEA-TECDOC-527 (1989) - includes some of the important contributions presented at these meetings. It is hoped that it will provide a useful overview of current activities and of emerging trends in this field, thus promoting better understanding of potential contributions of radiation chemistry to other fields of knowledge as well as to practical applications in industry, medicine and agriculture. Refs, figs and tabs.

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

Physics, radiology, and chemistry. An introduction to natural science. 8. rev. ed.

International Nuclear Information System (INIS)

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

1991-01-01

This book is an introduction to physics and chemistry especially for medical personnel. After a general introduction, measurement methods, mechanics including mechanics of solid bodies, fluids and gases, heat, optics, acoustics, electricity, radiations including their biological effects, general chemistry, inorganic and organic chemistry are treated. Every chapter contains exercises mostly in connection with medical and biological effects. Furthermore connections with biology and medicine are considered. (orig./HP) With 104 figs., 51 tabs [de

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)

Geology summary of Waste Area Grouping 5 at Oak Ridge National Laboratory, Oak Ridge, Tennessee

International Nuclear Information System (INIS)

Anderson, J.E.

1996-08-01

During FY 1994, three multiport wells were installed in Waste Area Grouping (WAG) 5. The wells were instrumented with Westbay multiport systems. The purpose of the wells is (1) to characterize different flow systems and (2) to monitor for contaminants. The geology of the individual boreholes (WAG 5-12, WAG 5-13, WAG 5-14) is documented in Bechtel National, Inc., (BNI) et al. (1994). The Bechtel report does not explicitly show geologic relationships between these boreholes or integrate this information into the geology of WAG 5. The purpose of this report is to document and present a summary of the distribution of geologic formations in WAG 5. This information is presented in several ways: (1) stratigraphic correlation diagrams based on the natural gamma ray log, (2) geologic cross sections, and (3) a geologic map. This work provides a reference frame for interpreting flow, water, and contaminant chemistry data from multiport wells

Impact of fuel chemistry on fission product behaviour

International Nuclear Information System (INIS)

Poortmans, C.; Van Uffelen, P.; Van den Berghe, S.

1999-01-01

The report contains a series of papers presented at SCK-CEN's workshop on the impact of fuel chemistry on fission product behaviour. Contributing authors discuss different processes affecting the behaviour of fission products in different types of spent nuclear fuel. In addition, a number of papers discusses the behaviour of actinides and fission products released from spent fuel and vitrified high-level waste in geological disposal conditions

Isotope and Nuclear Chemistry Division annual report FY 1986, October 1985-September 1986

International Nuclear Information System (INIS)

Heiken, J.H.

1987-06-01

This report describes progress in the major research and development programs carried out in FY 1986 by the Isotope and Nuclear Chemistry Division. The report includes articles on radiochemical diagnostics and weapons tests; weapons radiochemical diagnostics 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

Isotope and Nuclear Chemistry Division annual report FY 1986, October 1985-September 1986

Energy Technology Data Exchange (ETDEWEB)

Heiken, J.H. (ed.)

1987-06-01

This report describes progress in the major research and development programs carried out in FY 1986 by the Isotope and Nuclear Chemistry Division. The report includes articles on radiochemical diagnostics and weapons tests; weapons radiochemical diagnostics 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.

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

Report of researches by joint use of Kyoto University Research Reactor Institute in the second half of the fiscal year 1978

International Nuclear Information System (INIS)

1981-03-01

This is the biannual report of 69 research items by the joint use of the reactor, each item being written in a page. The research items are roughly classified into 25 items related to chemistry, 18 items to physics, 6 items to metallurgy, 4 items to geology, 14 items to biology and medicine, and 2 items to agriculture. Presence of many items related to physics and chemistry is a matter of course, but the increase of the items related to biology and medicine is noticeable. (Wakatsuki, Y.)

Synergy between medicinal chemistry and biological research.

Science.gov (United States)

Moncada, Salvador; Coaker, Hannah

2014-09-01

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

Yearly scientific meeting: chemistry in human health and environment protection. Bialystok'92

International Nuclear Information System (INIS)

1992-01-01

The conference has been divided into 12 sections devoted to following topics: analytical chemistry; environmental chemistry; chemistry of natural compounds; chemistry of pharmaceutics and toxic compounds; chemistry in medicine; electrochemistry; young scientists forum; didactics and history of chemistry; chemistry and industry - technologies environment friendly; new trends in polymer science; crystallochemistry; pro-ecological actions in leather industry. Different analytical methods for determination of heavy methods and rare earths have been presented. Some of them have been successfully applied for the examination of environmental and biological materials. The basic chemical and physico-chemical studies including thermodynamic, crystal structure, coordination chemistry, sorption properties etc. have been extensively resented. The existence of radioactive elements in environment has been also investigated, especially in respect to municipal and industrial wastes and products of their processing. The radiation effects for different materials have been reported and discussed as well

Advances in nuclear chemistry and its applications in the Philippines

International Nuclear Information System (INIS)

Dela Rosa, Alumanda M.

2015-01-01

Nuclear chemistry was born almost 120 years ago with the discovery of radioactivity by Antoine Henry Becquerel in 1896. Nuclear chemistry is a subfield of chemistry that deals with radioactivity, nuclear reactions and processes, and nuclear properties. The composition of the nucleus and the changes that occur within the nucleus define the properties of the radioisotope and the nuclear reactions and processes it is involved in. Almost six decades ago, nuclear chemistry established its roots in the Philippines under the Philippine Atomic Energy Commission, presently the Philippine Nuclear Research Institute. The main areas of nuclear chemistry, namely, namely radiochemistry, radiation chemistry, radiation biology, and isotopic chemistry have been studies, and have found applications in food and agriculture, medicine and health, in idustry, and in the protection of the environment. Early work in nuclear chemistry utilized the Philippine Research Reactor (PRR-1) for the production of radioisotopes which were used in either research or direct applications in food and agriculture, health and medicine, and industry. The PRR-1 provided neutrons for the non destructive multi element analysis of various samples using the neutron activation analysis technique. Radioactive materials as sources of ionizing radiation are being used extensively to study the chemical and biological effects of radiation on matter. Current studies involve the irradiation of certain plants and insects causing changes in their DNA which result in mutation for better crop varieties and sterility in insects for quarantine treatment and pest management. Radiation can modify the properties of polymers. Natural polymers such as carrageenan, chitosan and cellulose in abaca and water hyacinth fibers are subjected to gamma irradiation changing their properties and resulting in new products such as wound drressing, hemostatic agents, plant growth promoters, and metal-chelating agents. Radioisotopes are also

Geologic environmental study

International Nuclear Information System (INIS)

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

2000-05-01

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

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.

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

Science.gov (United States)

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

2012-08-01

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

Analytical chemistry experiment

International Nuclear Information System (INIS)

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

1992-08-01

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

Nuclear medicine

International Nuclear Information System (INIS)

Kand, Purushottam

2012-01-01

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

Characterizing Normal Groundwater Chemistry in Hawaii

Science.gov (United States)

Tachera, D.; Lautze, N. C.; Thomas, D. M.; Whittier, R. B.; Frazer, L. N.

2017-12-01

Hawaii is dependent on groundwater resources, yet how water moves through the subsurface is not well understood in many locations across the state. As marine air moves across the islands water evaporates from the ocean, along with trace amounts of sea-salt ions, and interacts with the anthropogenic and volcanic aerosols (e.g. sulfuric acid, ammonium sulfate, HCl), creating a slightly more acidic rain. When this rain falls, it has a chemical signature distinctive of past processes. As this precipitation infiltrates through soil it may pick up another distinctive chemical signature associated with land use and degree of soil development, and as it flows through the underlying geology, its chemistry is influenced by the host rock. We are currently conducting an investigation of groundwater chemistry in selected aquifer areas of Hawaii, having diverse land use, land cover, and soil development conditions, in an effort to investigate and document what may be considered a "normal" water chemistry for an area. Through this effort, we believe we better assess anomalies due to contamination events, hydrothermal alteration, and other processes; and we can use this information to better understand groundwater flow direction. The project has compiled a large amount of precipitation, soil, and groundwater chemistry data in the three focus areas distributed across in the State of Hawaii. Statistical analyses of these data sets will be performed in an effort to determine what is "normal" and what is anomalous chemistry for a given area. Where possible, results will be used to trace groundwater flow paths. Methods and preliminary results will be presented.

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

Science.gov (United States)

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

2018-01-01

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

Afrique Science: Revue Internationale des Sciences et Technologie

African Journals Online (AJOL)

Afrique Science publishes experimental, theoretical and applied results in mathematics, physics, chemistry, biology, geology and engineering. It aims to serve all scientists except medicine and pharmacology. Other websites related to this journal: http://www.afriquescience.info/ ...

Geologic factors in nuclear waste disposal

International Nuclear Information System (INIS)

Towse, D.

1978-07-01

The study of geosciences and their relation to nuclear waste disposal and management entails analyzing the hydrology, chemistry, and geometry of the nuclear waste migration process. Hydrologic effects are determined by analyzing the porosity and permeability (natural and induced) of rock as well as pressures and gradients, dispersion, and aquifer length of the system. Chemistry parameters include radionuclide retardation factors and waste dissolution rate. Geometric parameters (i.e., parameters with dimension) evaluated include repository layer thickness, fracture zone area, tunnel length, and aquifer length. The above parameters act as natural barriers or controls to nuclear waste migration, and are evaluated in three potential geologic media: salt, shale, and crystalline rock deposits. Parametric values are assigned that correspond to many existing situations. These values, in addition to other important inputs, are lumped as a hydrology input into a computer simulation program used to model and calculate nuclear waste migration from the repository to the biosphere, and potential individual and population dose and radiation effects. These results are preliminary and show trends only; they do not represent an actual risk analysis

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

The Critical Role of Organic Chemistry in Drug Discovery.

Science.gov (United States)

Rotella, David P

2016-10-19

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

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

Research in nuclear chemistry: current status and future perspectives

International Nuclear Information System (INIS)

Reddy, A.V.R.

2007-01-01

Research in nuclear chemistry has seen a huge growth over the last few decades. The large umbrella of nuclear chemistry includes several research areas such as nuclear fission, reactions, spectroscopy, nuclear probes and nuclear analytical techniques. Currently, nuclear chemistry research has extended its horizon into various applications like nuclear medicine, isotopes for understanding physico chemical processes, and addressing environmental and biomedical problems. Tremendous efforts are going on for synthesizing new elements (isotopes), isolating physically or chemically wherever possible and investigating their properties. Theses studies are useful to understand nuclear and chemical properties at extreme ends of instability. In addition, nuclear chemists are making substantial contribution to astrophysics and other related areas. During this talk, a few of the contributions made by nuclear chemistry group of BARC will be discussed and possible future areas of research will be enumerated. (author)

Review of uranium in Australia: its geology, exploration and world significance

Energy Technology Data Exchange (ETDEWEB)

Shepard, J; Gaskell, J L; Spaargaren, F A; Butler, R D; Francis, T; Ross, J

1973-01-01

The aim of this report is to review and classify all known Australian uranium occurrences, to compare them with world-wide deposits and on this basis, derive conclusions on the uranium potential in various Australian geological environments. In an introductory section the properties, uses, chemistry, mineralogy and processing of uranium are summarised. An outline of modern prospecting techniques applicable in different geological environments is also presented. Foreign uranium deposits are classified and briefly discussed. World supply and demand to the year 2000 is analysed and the importance of Australia as a major uranium producer is considered. Uranium occurrences and deposits in all States are described in detail, and potential uraniferous geological environments are reviewed. A large scale map is presented which delineates these environments and indicates areas considered to be the most prospective. Conclusions are drawn and recommendations made concerning the selection of areas which are considered to hold the most promise for the discovery of further uranium deposits.

Physics, radiology and chemistry. 6. rev. ed.

International Nuclear Information System (INIS)

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

1981-01-01

The scientific basic disciplines of physics and chemistry are the beginning of all medical teaching. They are suitable to clarify medical and biochemical problems in their causality by means of their own thinking methodics as well as by the information provided. This book attempts to point out the relationships of physics, radiology and chemistry to neighbouring disciplines, especially to practical medicine. Greater importance must naturally be given here to the examples of individual fundamental facts than to the conveying of pure theory from books. The statements and questions on self control ordered according to chapter represent a minimum learning for the students which can be extended as required. (orig./ORU) [de

[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.

Chemistry and evolution of Titan's atmosphere

International Nuclear Information System (INIS)

Strobel, D.F.

1982-01-01

The chemistry and evolution of Titan's atmosphere is reviewed in the light of the scientific findings from the Voyager mission. It is argued that the present N 2 atmosphere may be Titan's initial atmosphere rather than photochemically derived from an original NH 3 atmosphere. The escape rate of hydrogen from Titan is controlled by photochemical production from hydrocarbons. CH 4 is irreversibly converted to less hydrogen rich hydrocarbons, which over geologic time accumulate on the surface to a layer thickness of approximately 0.5 km. Magnetospheric electrons interacting with Titan's exosphere may dissociate enough N 2 into hot, escaping N atoms to remove approximately 0.2 of Titan's present atmosphere over geologic time. The energy dissipation of magnetospheric electrons exceeds solar e.u.v. energy deposition in Titan's atmosphere by an order of magnitude and is the principal driver of nitrogen photochemistry. The environmental conditions in Titan's upper atmosphere are favorable to building up complex molecules, particularly in the north polar cap region. (author)

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.

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.

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

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

Engineering Geology | Alaska Division of Geological & Geophysical Surveys

Science.gov (United States)

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

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

Molecular medicine - To be or not to be.

Science.gov (United States)

Brunori, Maurizio; Gianni, Stefano

2016-01-01

Molecular medicine is founded on the synergy between Chemistry, Physics, Biology and Medicine, with the ambitious goal of tackling diseases from a molecular perspective. This Review aims at retracing a personal outlook of the birth and development of molecular medicine, as well as at highlighting some of the most urgent challenges linked to aging and represented by incurable neurodegenerative diseases caused by protein misfolding. Furthermore, we emphasize the emerging role of the retromer dysfunctions and improper protein sorting in Alzheimer's disease and other important neurological disordered. Copyright © 2016 Elsevier B.V. All rights reserved.

A medicinal chemistry perspective on 4-aminoquinoline antimalarial drugs.

Science.gov (United States)

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

2006-01-01

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

Developing Connectivist Schemas for Geological and Geomorphological Education

Science.gov (United States)

Whalley, B.

2012-12-01

Teaching geology is difficult; students need to grasp changes in time over three dimensions. Furthermore, the scales and rates of change in four dimensions may vary over several orders of magnitude. Geological explanations incorporate ideas from physics, chemistry, biology and engineering, lectures and textbooks provide a basic framework but they need to be amplified by laboratories and fieldwork involving active student participation and engagement. Being shown named 'things' is only a start to being able to being able to inculcate geological thinking that requires a wide and focused viewpoints. Kastens and Ishikawa (2006) suggested five aspects of thinking geologically, summarised as: 1. Observing, describing, recording, communicating geologically entities (ie basic cognitive skills) 2. (mentally) manipulating these entities 3. interpreting them via causal relationships 4. predicting other aspects using the basic knowledge (to create new knowledge) 5. using cognitive strategies to develop new ways of interpreting gained knowledge. These steps can be used follow the sequence from 'known' through 'need to know' to using knowledge to gain better geologic explanation, taken as enquiry-based or problem solving modes of education. These follow ideas from Dewey though Sternberg's 'thinking styles' and Siemens' connectivist approaches. Implementation of this basic schema needs to be structured for students in a complex geological world in line with Edelson's (2006) 'learning for' framework. In a geomorphological setting, this has been done by showing students how to interpret a landscape (landform, section etc) practice their skills and thus gain confidence with a tutor at hand. A web-based device, 'Virtorial' provides scenarios for students to practice interpretation (or even be assessed with). A cognitive tool is provided for landscape interpretation by division into the recognition of 'Materials' (rock, sediments etc), Processes (slope, glacial processes etc) and

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].

Training needs for chemists in nuclear medicine research and production

International Nuclear Information System (INIS)

Welch, M.J.

1993-01-01

The field Nuclear Medicine has expanded rapidly over the last two decades. Individuals with training in radiochemistry are needed in industry, medical centers and hospitals. Although basic training in organic chemistry, inorganic chemistry, biochemistry or pharmacy are required, radiochemistry knowledge is essential for all these individuals. Opportunities and training requirements in these areas will be discussed. (author) 7 refs.; 5 tabs

Unraveling the Reaction Chemistry of Icy Ocean World Surfaces

Science.gov (United States)

Hudson, R.; Loeffler, M. J.; Gerakines, P.

2017-12-01

The diverse endogenic chemistry of ocean worlds can be divided among interior, surface, and above-surface process, with contributions from exogenic agents such as solar, cosmic, and magnetospheric radiation. Bombardment from micrometeorites to comets also can influence chemistry by both delivering new materials and altering pre-existing ones, and providing energy to drive reactions. Geological processes further complicate the chemistry by transporting materials from one environment to another. In this presentation the focus will be on some of the thermally driven and radiation-induced changes expected from icy materials, primarily covalent and ionic compounds. Low-temperature conversions of a few relatively simple molecules into ions possessing distinct infrared (IR) features will be covered, with an emphasis on such features as might be identified through either orbiting spacecraft or landers. The low-temperature degradation of a few bioorganic molecules, such as DNA nucleobases and some common amino acids, will be used as examples of the more complex, and potentially misleading, chemistry expected for icy moons of the outer solar system. This work was supported by NASA's Emerging Worlds and Outer Planets Research programs, as well as the NASA Astrobiology Institute's Goddard Center for Astrobiology.

Nuclear chemistry research for the safe disposal of nuclear waste

International Nuclear Information System (INIS)

Fanghaenel, Thomas

2011-01-01

The safe disposal of high-level nuclear waste and spent nuclear fuel is of key importance for the future sustainable development of nuclear energy. Concepts foresee the isolation of the nuclear waste in deep geological formations. The long-term radiotoxicity of nuclear waste is dominated by plutonium and the minor actinides. Hence it is essential for the performance assessment of a nuclear waste disposal to understand the chemical behaviour of actinides in a repository system. The aqueous chemistry and thermodynamics of actinides is rather complex in particular due to their very rich redox chemistry. Recent results of our detailed study of the Plutonium and Neptunium redox - and complexation behaviour are presented and discussed. (author)

Challenge of high energy radiation dosimetry and protection

International Nuclear Information System (INIS)

Nelson, W.R.; Jenkins, T.M.

1976-01-01

Health physicists have come from the fields of chemistry, physics, biology, medicine, mathematics, geology, hydrology, ecology, meteorology, computer science, etc. How the accelerator health physicist can and should use these diverse talents to best advantage in an accelerator environment is discussed

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

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

Relationship between water quality of deep-groundwater and geology in non-volcanic areas in Japan

International Nuclear Information System (INIS)

Oyama, Yoichi; Takahashi, Masaaki; Tsukamoto, Hitoshi; Kazahaya, Kohei; Yasuhara, Masaya; Takahashi, Hiroshi; Morikawa, Noritoshi; Ohwada, Michiko; Shibahara, Akihiko; Inamura, Akihiko

2011-01-01

Geochemical characteristics in groundwater such as groundwater chemistry and physicochemical parameters are affected by their source and the interaction with rocks and minerals. We observed the relationships between groundwater chemistry of the deep-groundwater and the geology in non-volcanic areas in Japan using about 9300 of deep-groundwater data. A Geographical Information System (GIS) was used to extract data in non-volcanic areas and numbers of water data are about 5200. The data were further classified into four types of geology (sedimentary rock, accretionary complex, volcanic rock and plutonic rock). The pH, temperature and major ion concentrations among deep-groundwaters in each geology have been statistically analysed. Result shows that the total cation concentration of deep-groundwaters are significantly different between geology, and the average values are decreased in the order of the sedimentary rock (66.7 meq l -1 ), volcanic rock (43.0 meq l -1 ), accretionary complex (24.6 meq l -1 ), and plutonic rock (11.0 meq l -1 ). The average pH does not show the major difference between geology whereas the highest average temperature is found in volcanic rock. In addition, the all four major cations (Na, K, Mg, and Ca) show the highest average concentrations in sedimentary rock, within the highest average concentrations of major anions for Cl, SO 4 , and HCO 3 are found in sedimentary rock, volcanic rock and accretionary complex, respectively, indicating the difference of the influence on the anions varied with geology. The distribution of deep-groundwater that are dominated by each major anions implied that SO 4 -type groundwater in volcanic rocks are formed by the influence of Neogene volcanic rock (Green tuff). In addition, HCO 3 -type groundwater in accretionary complex found from Kinki to Shikoku regions are formed by the addition of CO 2 gases supplying not only from surface soil and carbonate minerals but from deep underground. (author)

Out of the shadow of medicine

DEFF Research Database (Denmark)

Kragh, Helge

2008-01-01

Modern chemistry, so alarming, so necessary, so ubiquitous, became a mature science in nineteenth-century Europe. As it developed, often from a lowly position in medicine or in industry, so chemists established themselves as professional men; but differently in different countries. In 1820...... chemistry was an autonomous science of great prestige but chemists had no corporate identity. It was 1840 before national chemical societies were first formed; and many countries lagged fifty years behind. Chemists are the largest of scientific groups; and in this book we observe the social history...... of chemistry in fifteen countries, ranging from the British Isles to Lithuania and Greece. There are regularities and similarities; and by describing how national chemical professions emerged under particular economic and social circumstances, the book contributes significantly to European history of science....

Introduction to chemistry and applications in nature of mass independent isotope effects special feature.

Science.gov (United States)

Thiemens, Mark H

2013-10-29

Stable isotope ratio variations are regulated by physical and chemical laws. These rules depend on a relation with mass differences between isotopes. New classes of isotope variation effects that deviate from mass dependent laws, termed mass independent isotope effects, were discovered in 1983 and have a wide range of applications in basic chemistry and nature. In this special edition, new applications of these effects to physical chemistry, solar system origin models, terrestrial atmospheric and biogenic evolution, polar paleo climatology, snowball earth geology, and present day atmospheric sciences are presented.

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...... to chemists, chemical engineers, biologists, material and food scientists and many more....

Preliminary report on the geology of the Lakeview uranium area, Lake County, Oregon

International Nuclear Information System (INIS)

Walker, G.W.

1980-01-01

This study was directed partly toward determining uranium resources, but, more specifically toward establishing the geochemical relations of uranium and other metals with rhyolite bodies in the Lakeview uranium area and to compare these bodies with similar rhyolitic bodies outside the area. The ultimate goal of this work was to determine, if possible, the uranium resource potential of these kinds of rocks over an area of several thousand square kilometers and to apply knowledge gained from this resource assessment to similar terranes within the Northern Basin and Range Province. The regional evaluation is still in progress, and its results will be reported at some appropriate time in the future. To these ends a review was made of previous geologic studies of the area and of the uranium deposits themselves, and some regional geologic mapping was done at a scale of 1:24,000. A geologic map was prepared of an area covering about 450 km 2 (approx. 170 mi 2 ), more or less centered on the White King and Lucky Lass mines and on the major cluster of uranium-bearing rhyolites, and some geologic reconnaissance and attendant sampling of rhyolite intrusives and extrusives well outside the Lakeview uranium area were completed. Isotopic dates were obtained on some units and magnetic polarity characteristics were determined on many units in order to more firmly establish age and stratigraphic relations of the diverse volcanic and volcaniclastic units of the region. Major oxide chemistry and selected trace-element chemistry were obtained on those rhyolitic units suitable for analysis in order to establish distribution patterns for uranium, as well as several other metals, in the rhyolitic rocks of the Lakeview uranium area and to make regional correlations with other analyzed rhyolitic rocks

Institute of Bioinorganic and Radiopharmaceutical Chemistry. Annual report 1992

International Nuclear Information System (INIS)

Johannsen, B.

1993-04-01

The Institute of Bioinorganic and Radiopharmaceutical Chemistry of the Rossendorf Research Center (FZR) presents its 1992 anual report in order to in form on research activities in the first year of its existence. This volume contains 27 individual reports devoted to various aspects of radiotracers for nuclear medicine. (BBR)

Estimating natural background groundwater chemistry, Questa molybdenum mine, New Mexico

Science.gov (United States)

Verplanck, Phillip L.; Nordstrom, D. Kirk; Plumlee, Geoffrey S.; Walker, Bruce M.; Morgan, Lisa A.; Quane, Steven L.

2010-01-01

This 2 1/2 day field trip will present an overview of a U.S. Geological Survey (USGS) project whose objective was to estimate pre-mining groundwater chemistry at the Questa molybdenum mine, New Mexico. Because of intense debate among stakeholders regarding pre-mining groundwater chemistry standards, the New Mexico Environment Department and Chevron Mining Inc. (formerly Molycorp) agreed that the USGS should determine pre-mining groundwater quality at the site. In 2001, the USGS began a 5-year, multidisciplinary investigation to estimate pre-mining groundwater chemistry utilizing a detailed assessment of a proximal natural analog site and applied an interdisciplinary approach to infer pre-mining conditions. The trip will include a surface tour of the Questa mine and key locations in the erosion scar areas and along the Red River. The trip will provide participants with a detailed understanding of geochemical processes that influence pre-mining environmental baselines in mineralized areas and estimation techniques for determining pre-mining baseline conditions.

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

Fragment-to-Lead Medicinal Chemistry Publications in 2016.

Science.gov (United States)

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

2018-03-08

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

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

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

George de Hevesy (1885 - 1966), founder of radioanalytical chemistry

International Nuclear Information System (INIS)

Niese, S.

2006-01-01

George de Hevesy has founded Radioanalytical Chemistry and Nuclear Medicine, discovered the element hafnium and first separated stable isotopes. For all these different important achievements he was nominated for the Nobel Prize. On occasion of his discovery of activation analysis 70 years ago his life and work will be illustrated. (author)

Boron in nuclear medicine: New synthetic approaches to PET, SPECT, and BNCT agents

International Nuclear Information System (INIS)

Kabalka, G.W.

1991-09-01

The primary objective of the DOE Nuclear Medicine Program at The University of Tennessee is the creation of new methods for introducing short-lived isotopes into agents for use in computerized tomography. A portion of the research effort is directed toward the development of new synthetic methods for the preparation of boron-containing neutron therapy agents. The uniqueness of the UT program is its focus on the design of new chemistry and technology as opposed to the application of known reactions to the synthesis of specific radiopharmaceuticals. The versatile organic boron reagents are utilized in most of the new chemistry. This new technology is then used in nuclear medicine research at the UT Biomedical Imaging Center and in collaborative research programs with colleagues at other DOE facilities. An important goal of the DOE Nuclear Medicine Program at UT is to provide training for students (predoctoral and postdoctoral) in the scientific aspects of nuclear medicine. 83 refs., 12 figs

The Aespoe Hard Rock Laboratory: Final evaluation of the hydrogeochemical pre-investigations in relation to existing geologic and hydraulic conditions

International Nuclear Information System (INIS)

Smellie, J.; Laaksoharju, M.

1992-11-01

The Swedish Nuclear Fuel and Management Company (SKB) is currently excavating the access tunnel to an underground experimental laboratory, the Aespoe Hard Rock Laboratory, planned to be located some 500 m below the island of Aespoe which is located in the Simpevarp area, southeast Sweden. The construction of an underground laboratory forms part of the overall SKB strategy to test, not only the construction techniques for deep excavation, but also the various methods and protocols required to obtain a three-dimensional model of the geology and groundwater flow and chemistry, within a fractured crystalline bedrock similar to that envisaged for the final disposal of spent fuel. Aespoe was chosen because it geologically represents a variety of typical crystalline bedrock environments. The hydrogeochemical activities described and interpreted in this report form part of the initial pre-investigation phase (from the surface to around 1000 metres depth) aimed at siting the laboratory, describing the natural hydrogeological and hydrogeochemical conditions in the bedrock and predicting the changes that will occur during excavation and construction of the laboratory. Hydrogeochemical interpretation has therefore been closely integrated with the hydrogeological investigations and other disciplines of major influence, in particular, bedrock geology and geochemistry and fracture mineralogy and chemistry. A large section of this report has been devoted to the detailed investigation of each individual zone hydraulically selected, tested and sampled for hydrogeochemical characterization. The data have been used to describe the chemistry and origin of the Aespoe groundwaters, models have been developed to illustrate groundwater mixing and standard geochemical modelling approaches have been employed to understand rock/water interaction processes. An attempt has been made to integrate the hydrogeochemical information with known geological and hydrogeological parameters to construct a

Computational Chemistry in the Pharmaceutical Industry: From Childhood to Adolescence.

Science.gov (United States)

Hillisch, Alexander; Heinrich, Nikolaus; Wild, Hanno

2015-12-01

Computational chemistry within the pharmaceutical industry has grown into a field that proactively contributes to many aspects of drug design, including target selection and lead identification and optimization. While methodological advancements have been key to this development, organizational developments have been crucial to our success as well. In particular, the interaction between computational and medicinal chemistry and the integration of computational chemistry into the entire drug discovery process have been invaluable. Over the past ten years we have shaped and developed a highly efficient computational chemistry group for small-molecule drug discovery at Bayer HealthCare that has significantly impacted the clinical development pipeline. In this article we describe the setup and tasks of the computational group and discuss external collaborations. We explain what we have found to be the most valuable and productive methods and discuss future directions for computational chemistry method development. We share this information with the hope of igniting interesting discussions around this topic. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evaluation of porewater chemistry in the buffer material for the second progress report H12

International Nuclear Information System (INIS)

Oda, Chie; Shibata, Masahiro; Yui, Mikazu

1999-09-01

In the safety assessment for geological disposal of high-level radioactive wastes (HLW), porewater chemistry in buffer materials is used to estimate migration of radionuclides and corrosion of overpack materials. For the reference case in the second progress report on research and development for HLW disposal in Japan, entitled H12, porewater chemistry was evaluated by using a chemical model based on an experimental work by Oda and Shibata (1999) under the assumption of a thermodynamic system of groundwater with bentonite and corrosion products of carbon-steel overpack. This report provides the scientific information basis for the porewater chemistry evaluation, and describes the possible variations in porewater composition affected by following factors: - variations in groundwater composition relevant to the alternative geological environments cases and the perturbation scenario, and supplementary variations in groundwater composition. - model/data uncertainties associated with insufficient understanding of important processes with respect to the time-dependent behavior of a geological disposal system: in particular, how the surface reaction of smectite changes with time, how the impurities of bentonite affect porewater, and how the reactions like redox equilibria, kinetics of dissolution of accessory minerals in bentonite and precipitation of secondary minerals (including corrosion products of overpack materials) should be handled in the porewater calculations. - uncertainties of thermodynamic data of the geochemical elements. The results of calculation indicated that porewaters in the buffer material, as far as calcite is not exhausted, may vary within the range of pH from 6 to 11. It was found that important factors on the variations in porewater composition were the change of surface reactions of smectite with time, the degree of soluble impurities dissolution/dispersion and the amount of iron being supplied into the buffer region by corrosion of the overpack

Geological safety aspects of nuclear waste disposalin in Finland

Energy Technology Data Exchange (ETDEWEB)

Ahonen, L; Hakkarainen, V; Kaija, J; Kuivamaki, A; Lindberg, A; Paananen, M; Paulamaki, S; Ruskeeniemi, T

2011-07-01

The management of nuclear waste from Finnish power companies is based on the final geological disposal of encapsulated spent fuel at a depth of several hundreds of metres in the crystalline bedrock. Permission for the licence requires that the safety of disposal is demonstrated in a safety case showing that processes, events and future scenarios possibly affecting the performance of the deep repository are appropriately understood. Many of the safety-related issues are geological in nature. The Precambrian bedrock of Finland has a long history, even if compared with the time span considered for nuclear waste disposal, but the northern location calls for a detailed study of the processes related to Quaternary glaciations. This was manifested in an extensive international permafrost study in northern Canada, coordinated by GTK. Hydrogeology and the common existence of saline waters deep in the bedrock have also been targets of extensive studies, because water chemistry affects the chemical stability of the repository near-field, as well as radionuclide transport. The Palmottu natural analogue study was one of the international high-priority natural analogue studies in which transport phenomena were explored in a natural geological system. Currently, deep biosphere processes are being investigated in support of the safety of nuclear waste disposal. (orig.)

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.

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

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

Science.gov (United States)

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

2017-12-01

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

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.

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

DEFF Research Database (Denmark)

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

2017-01-01

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

Nuclear medicine applications: Summary of Panel 4

International Nuclear Information System (INIS)

Wolf, A.P.

1988-01-01

Nuclear medicine is currently facing a desperate shortage of organic and inorganic chemists and nuclear pharmacists who also have advanced training in nuclear and radiochemistry. Ironically, this shortfall is occurring in the face of rapid growth and technological advances which have made the practice of nuclear medicine an integral part of the modern health care system. This shortage threatens to limit the availability of radiopharmaceuticals required in routine hospital procedures and to impede the development of new diagnostic and therapeutic agents. To redress this need and prevent a similar shortfall in the future, this panel recommends immediate action and a long-term commitment to the following: educating the public on the benefits of nuclear medicine; informing undergraduate and graduate chemistry students about career opportunities in nuclear medicine; offering upper level courses in nuclear and radiochemistry (including laboratory) in universities; establishing training centers and fellowships at the postgraduate level for specialized education in the aspects of nuclear and radiochemistry required by the nuclear medicine profession. 1 tab

Phytochemistry and medicinal properties of ammi visnaga (apiacae)

International Nuclear Information System (INIS)

Hashim, S.; Jan, A.

2014-01-01

Ammi visnaga (bisnaga, toothpick weed or khella) belongs to the family Apiaceae and it is a herbaceous medicinal plant. It is found mainly in the Mediterranean regions and also distributed abundantly throughout the world as introduced species. Many times, A. visnaga is weed as well as used in many countries as herbal medicine for different purposes. Ancient records reveal various medicinal properties of A. visnaga as a popular source to cure variety of different ailments. The plant is used directly as a herb or as a component for production of a number of herbal medicines used in the cure of renal colic, ureteric stones, angina pectoris, the coronary vessels, cardiovascular disorders and asthma. Also it is used as a folk medicine for vitiligo and psoriasis. This review highlights the commonly recognized medicinal uses of A. visnaga, its chemistry and ethnobotanical uses and will also serve as ready reference for future research. (author)

The uraninite-pyrite association, a sensitive indicator of changes in fluid chemistry: element gains and losses

Czech Academy of Sciences Publication Activity Database

Zachariáš, J.; Adamovič, Jiří; Konečný, P.

2008-01-01

Roč. 46, č. 5 (2008), s. 1159-1172 ISSN 0008-4476 R&D Projects: GA AV ČR IAA3013302 Institutional research plan: CEZ:AV0Z30130516 Keywords : uraninite * chemical age, * arsenian pyrite * silicification * fluid chemistry Subject RIV: DB - Geology ; Mineralogy Impact factor: 1.136, year: 2008

Radioisotopes for nuclear medicine: the future

International Nuclear Information System (INIS)

Carr, S.W.

1998-01-01

Full text: Nuclear medicine occupies an important niche in the spectrum of medical capability. Since its initial application on a routine basis over 30 years ago its importance has continued to grow. For example, it is expected that over 430,000 Australians will have a nuclear medicine procedure in 1998. Current procedures using nuclear medicine are mainly concerned with diagnosis of oncology, cardiology and neurology. The main radioisotope used in nuclear medicine is Tc 99m, which is produced by a 'so called' Mo-Tc 99m generator. Other isotopes which currently find routine use are Ga-67, Th-201 and I-131. The selective uptakes by particular organs or structures is facilitated by the use of 'cold kits' which after the chemistry of the radioisotope many of the recent advances have been concerned with increasing the selectivity for a particular organ structure. Several of these new agents show increased selectivity using antibody a peptide recognition units

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

Science.gov (United States)

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

2013-01-01

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

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...

2010 Gordon Research Conference On Radiation Chemistry

International Nuclear Information System (INIS)

Orlando, Thomas

2010-01-01

The 2010 Gordon Conference on Radiation Chemistry will present cutting edge research regarding the study of radiation-induced chemical transformations. Radiation Chemistry or 'high energy' chemistry is primarily initiated by ionizing radiation: i.e. photons or particles with energy sufficient to create conduction band electrons and 'holes', excitons, ionic and neutral free radicals, highly excited states, and solvated electrons. These transients often interact or 'react' to form products vastly different than those produced under thermal equilibrium conditions. The non-equilibrium, non-thermal conditions driving radiation chemistry exist in plasmas, star-forming regions, the outer solar system, nuclear reactors, nuclear waste repositories, radiation-based medical/clinical treatment centers and in radiation/materials processing facilities. The 2010 conference has a strong interdisciplinary flavor with focus areas spanning (1) the fundamental physics and chemistry involved in ultrafast (atto/femtosecond) energy deposition events, (2) radiation-induced processes in biology (particularly spatially resolved studies), (3) radiation-induced modification of materials at the nanoscale and cosmic ray/x-ray mediated processes in planetary science/astrochemistry. While the conference concentrates on fundamental science, topical applied areas covered will also include nuclear power, materials/polymer processing, and clinical/radiation treatment in medicine. The Conference will bring together investigators at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present work in poster format or as contributors to the Young Investigator session. The program and format provides excellent avenues to promote cross-disciplinary collaborations.

Papers of All-Polish Conference on Nuclear Techniques in Industry, Medicine, Agriculture and Environmental Protection

International Nuclear Information System (INIS)

2002-01-01

These proceedings comprise papers presented at All-Polish Conference on nuclear techniques in industry, medicine, agriculture and environmental protection. Most of the papers are in the field of uses of radiation sources and particle beams in industry, radiation chemistry, nuclear medicine and dosimetry, environmental sciences

8. All Polish Conference on Analytical Chemistry: Analytical Chemistry for the Community of the 21. Century

International Nuclear Information System (INIS)

Koscielniak, P.; Wieczorek, M.; Kozak, J.

2010-01-01

Book of Abstracts contains short descriptions of lectures, communications and posters presented during 8 th All Polish Conference on Analytical Chemistry (Cracow, 4-9.07.2010). Scientific programme consisted of: basic analytical problems, preparation of the samples, chemometry and metrology, miniaturization of the analytical procedures, environmental analysis, medicinal analyses, industrial analyses, food analyses, biochemical analyses, analysis of relicts of the past. Several posters were devoted to the radiochemical separations, radiochemical analysis, environmental behaviour of the elements important for the nuclear science and the professional tests.

Approach of automatic 3D geological mapping: the case of the Kovdor phoscorite-carbonatite complex, NW Russia.

Science.gov (United States)

Kalashnikov, A O; Ivanyuk, G Yu; Mikhailova, J A; Sokharev, V A

2017-07-31

We have developed an approach for automatic 3D geological mapping based on conversion of chemical composition of rocks to mineral composition by logical computation. It allows to calculate mineral composition based on bulk rock chemistry, interpolate the mineral composition in the same way as chemical composition, and, finally, build a 3D geological model. The approach was developed for the Kovdor phoscorite-carbonatite complex containing the Kovdor baddeleyite-apatite-magnetite deposit. We used 4 bulk rock chemistry analyses - Fe magn , P 2 O 5 , CO 2 and SiO 2 . We used four techniques for prediction of rock types - calculation of normative mineral compositions (norms), multiple regression, artificial neural network and developed by logical evaluation. The two latter became the best. As a result, we distinguished 14 types of phoscorites (forsterite-apatite-magnetite-carbonate rock), carbonatite and host rocks. The results show good convergence with our petrographical studies of the deposit, and recent manually built maps. The proposed approach can be used as a tool of a deposit genesis reconstruction and preliminary geometallurgical modelling.

Plant species effects on soil nutrients and chemistry in arid ecological zones.

Science.gov (United States)

Johnson, Brittany G; Verburg, Paul S J; Arnone, John A

2016-09-01

The presence of vegetation strongly influences ecosystem function by controlling the distribution and transformation of nutrients across the landscape. The magnitude of vegetation effects on soil chemistry is largely dependent on the plant species and the background soil chemical properties of the site, but has not been well quantified along vegetation transects in the Great Basin. We studied the effects of plant canopy cover on soil chemistry within five different ecological zones, subalpine, montane, pinyon-juniper, sage/Mojave transition, and desert shrub, in the Great Basin of Nevada all with similar underlying geology. Although plant species differed in their effects on soil chemistry, the desert shrubs Sarcobatus vermiculatus, Atriplex spp., Coleogyne ramosissima, and Larrea tridentata typically exerted the most influence on soil chemistry, especially amounts of K(+) and total nitrogen, beneath their canopies. However, the extent to which vegetation affected soil nutrient status in any given location was not only highly dependent on the species present, and presumably the nutrient requirements and cycling patterns of the plant species, but also on the background soil characteristics (e.g., parent material, weathering rates, leaching) where plant species occurred. The results of this study indicate that the presence or absence of a plant species, especially desert shrubs, could significantly alter soil chemistry and subsequently ecosystem biogeochemistry and function.

Chemical composition of selected Kansas brines as an aid to interpreting change in water chemistry with depth

Science.gov (United States)

Dingman, R.J.; Angino, E.E.

1969-01-01

Chemical analyses of approximately 1,881 samples of water from selected Kansas brines define the variations of water chemistry with depth and aquifer age. The most concentrated brines are found in the Permian rocks which occupy the intermediate section of the geologic column of this area. Salinity decreases below the Permian until the Ordovician (Arbuckle) horizon is reached and then increases until the Precambrian basement rocks are reached. Chemically, the petroleum brines studied in this small area fit the generally accepted pattern of an increase in calcium, sodium and chloride content with increasing salinity. They do not fit the often-predicted trend of increases in the calcium to chloride ratio, calcium content and salinity with depth and geologic age. The calcium to chloride ratio tends to be asymptotic to about 0.2 with increasing chloride content. Sulfate tends to decrease with increasing calcium content. Bicarbonate content is relatively constant with depth. If many of the hypotheses concerning the chemistry of petroleum brines are valid, then the brines studied are anomolous. An alternative lies in accepting the thesis that exceptions to these hypotheses are rapidly becoming the rule and that indeed we still do not have a valid and general hypothesis to explain the origin and chemistry of petroleum brines. ?? 1969.

The future of laboratory medicine - a 2014 perspective.

Science.gov (United States)

Kricka, Larry J; Polsky, Tracey G; Park, Jason Y; Fortina, Paolo

2015-01-01

Predicting the future is a difficult task. Not surprisingly, there are many examples and assumptions that have proved to be wrong. This review surveys the many predictions, beginning in 1887, about the future of laboratory medicine and its sub-specialties such as clinical chemistry and molecular pathology. It provides a commentary on the accuracy of the predictions and offers opinions on emerging technologies, economic factors and social developments that may play a role in shaping the future of laboratory medicine. Copyright © 2014 Elsevier B.V. All rights reserved.

Micro reactor and flow chemistry for industrial applications in drug discovery and development

NARCIS (Netherlands)

Tambarussi Baraldi, P.; Hessel, V.

2012-01-01

In this review, case studies focused on syntheses of active pharmaceutical ingredients, intermediates and lead compounds are reported employing micro reactors and continuous flow technology in areas such as medicinal chemistry, chemical development and manufacturing. The advantages of flow

Teaching and learning the geological knowledge as a part of the science education general field

Science.gov (United States)

Aguirre-Pérez, Constancio

2010-05-01

Since the early 50s of last century the Teaching of Science has undergone a process of continuous development, (Gutiérrez, 1987; Aliberas, Gutierrez and Izquierdo, 1989) to become a scientific discipline largely accepted as such by many different universities worldwide. Besides, the proliferation of publications, magazines, conferences, symposia, meetings, and so on, proves this assertion. In these publications and meetings the Teaching of Science (or Science Education in more general terms) is addressed as a new field of research, teaching and educational innovation focused on the processes of teaching and learning of the experimental sciences (all of them: Physics, Chemistry, Biology and Geology). The study of this discipline is undertaken from different pedagogical, epistemological, psychological and sociological approaches. From this general perspective we can say that over the last two decades each of the sciences has developed specific characteristics so that, today, we could speak about specific didactics for each one of them. In the case of Geology (or Geoscience) Teaching there have been significant contributions from the following fields of research: the students' prior ideas (constructivist approach), the history of geology (as a subject-specific field) and from epistemology (Pedrinaci, E. 2000). The body of geoscience knowledge has an internal logic (as happens with the other science subjects) that allows us to organize the contents to teach, selecting, arranging and establishing proper relations between them. Still geology has a central, transverse, inter-and transdisciplinary character for its relationship with the other sciences. This character makes it appear as one of the disciplines with a huge potential to combine different methodologies of teaching and learning and different learning models already tested in the research field of Physics, Chemistry or Biology Education. Moreover, the most recent term coined for it "geosciences or earth and

Emplacement of Holocene silicic lava flows and domes at Newberry, South Sister, and Medicine Lake volcanoes, California and Oregon

Science.gov (United States)

Fink, Jonathan H.; Anderson, Steven W.

2017-07-19

This field guide for the International Association of Volcanology and Chemistry of the Earth’s Interior (IAVCEI) Scientific Assembly 2017 focuses on Holocene glassy silicic lava flows and domes on three volcanoes in the Cascade Range in Oregon and California: Newberry, South Sister, and Medicine Lake volcanoes. Although obsidian-rich lava flows have been of interest to geologists, archaeologists, pumice miners, and rock hounds for more than a century, many of their emplacement characteristics had not been scientifically observed until two very recent eruptions in Chile. Even with the new observations, several eruptive processes discussed in this field trip guide can only be inferred from their final products. This makes for lively debates at outcrops, just as there have been in the literature for the past 30 years.Of the three volcanoes discussed in this field guide, one (South Sister) lies along the main axis defined by major peaks of the Cascade Range, whereas the other two lie in extensional tectonic settings east of the axis. These two tectonic environments influence volcano morphology and the magmatic and volcanic processes that form silicic lava flows and domes. The geomorphic and textural features of glass-rich extrusions provide many clues about their emplacement and the magma bodies that fed them.The scope of this field guide does not include a full geologic history or comprehensive explanation of hazards associated with a particular volcano or volcanic field. The geochemistry, petrology, tectonics, and eruption history of Newberry, South Sister, and Medicine Lake volcanic centers have been extensively studied and are discussed on other field excursions. Instead, we seek to explore the structural, textural, and geochemical evolution of well-preserved individual lava flows—the goal is to understand the geologic processes, rather than the development, of a specific volcano.

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

Science.gov (United States)

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

2007-05-05

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

Chemistry Progress and Civilization in Ancient China

Institute of Scientific and Technical Information of China (English)

JIANG Yu-Qian; RUAN Shu-Xiang; TANG Shan; SHUAI Zhi-Gang

2011-01-01

@@ During the 6,000 years of Chinese civilization, chemistry has played an essential role.The bronzed chime bells of the Warring States Period (475-221 BC) unearthed in Hubei Province shows not only the excellence in musical instruments in ancient China, but also the technological advances in metallurgy.Chinese alchemy was not originated from the quest to turn common metals to gold, instead, it was for searching medicines for longevity of human beings, mostly practised by Taoists.

Synthesis and characterization of nanoparticles capped with medicinal plant extracts

Science.gov (United States)

Rekulapally, Sujith R.

In this study, synthesis, characterization and biological application of series nanometal (silver, Ag) and nanometal oxide (titania, TiO2) were carried out. These nanomaterials were prepared using wet-chemistry method and then coated using natural plant extract. Three medicinal plants, namely Zingiber officinale (Ginger), Allium sativum (Garlic) and Capsicum annuum (Chili) were chosen as grafting agent to decrease the side-effects and increase the efficiency of NPs towards living organism. Extraction conditions were controlled under 60-100 °C for 8 hrs. Ag and TiO2 NPs were fabricated using colloidal chemistry and variables were controlled at ambient condition. The band gap of TiO2 NPs used as disinfectant was also modified through coating the medicinal plant extracts. The medicinal plant extracts and coated NPs were measured using spectroscopic methods. Ultraviolet-visible spectra indicated the Ag NPs were formed. The peak at 410 nm resulted from the electrons transferred from their ground to the excited state. The broadened full width at half maximum (FWHM) suggested the ultrafine particles were obtained. The lipid soluble compounds, phenols, tri-terpenoids, flavanoids, capsaicinoids, flavonoids, carotenoids, steroids steroidal glycosides, and vitamins were determined from the high performance liquid chromatographical analyses. X-ray powder diffraction indicated that the face-centered cubic Ag (PDF: 00-004-0783, a = 4.0862A, a = 90°) and anatase TiO2 (PDF: 01-08-1285, a = 3.7845, c = 9.5143A, a = 90°) were obtained using colloidal chemistry. Bactericidal activity indicated that these core-shelled TiO 2 were effective (MBC=0.6 ppm, within 30 mins) at inactivating Gram-positive and Gram-negative bacteria. It is proposed that the medicinal extracts enhanced the potency of NPs against bacteria. From our previous study, the Ag NPs were highly effective at inactivating both bacteria.

Synthetic geology - Exploring the "what if?" in geology

Science.gov (United States)

Klump, J. F.; Robertson, J.

2015-12-01

The spatial and temporal extent of geological phenomena makes experiments in geology difficult to conduct, if not entirely impossible and collection of data is laborious and expensive - so expensive that most of the time we cannot test a hypothesis. The aim, in many cases, is to gather enough data to build a predictive geological model. Even in a mine, where data are abundant, a model remains incomplete because the information at the level of a blasting block is two orders of magnitude larger than the sample from a drill core, and we have to take measurement errors into account. So, what confidence can we have in a model based on sparse data, uncertainties and measurement error? Synthetic geology does not attempt to model the real world in terms of geological processes with all their uncertainties, rather it offers an artificial geological data source with fully known properties. On the basis of this artificial geology, we can simulate geological sampling by established or future technologies to study the resulting dataset. Conducting these experiments in silico removes the constraints of testing in the field or in production, and provides us with a known ground-truth against which the steps in a data analysis and integration workflow can be validated.Real-time simulation of data sources can be used to investigate crucial questions such as the potential information gain from future sensing capabilities, or from new sampling strategies, or the combination of both, and it enables us to test many "what if?" questions, both in geology and in data engineering. What would we be able to see if we could obtain data at higher resolution? How would real-time data analysis change sampling strategies? Does our data infrastructure handle many new real-time data streams? What feature engineering can be deducted for machine learning approaches? By providing a 'data sandbox' able to scale to realistic geological scenarios we hope to start answering some of these questions.

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

Clinical Holistic Medicine: Applied Consciousness-Based Medicine

Directory of Open Access Journals (Sweden)

Søren Ventegodt

2004-01-01

Full Text Available Consciousness-based medicine is our term for a form of medical treatment that works by direct appeal to the consciousness of the patient, in contrast to modern biomedical treatment where drugs are used to affect body chemistry. With this concept, maybe we are (in a sense turning back to the “old medicine”, where the family physician was the all-concerned “old country doctor” who knew the child, the siblings, the parents, the family, and the village. In a series of papers on clinical holistic medicine, we would like to present the classic art of healing, where the physician works mostly with his hands, then show how the modern biomedical physician performs with biochemistry, and finally introduce consciousness-based medicine. Some of our questions will be: If you improve your quality of life, will you also improve your health? Will learning more about yourself bring more purpose in your life? Will finding someone to live with in a loving and mutually respectful relationship improve your health? Scientists and thinkers like Antonovsky, Frankl, Maslow, and Jung have pointed to love as a unique way to coherence in life, and thus to biological order and a better health. Several scientific studies have also suggested that patients who focus on improving their quality of life usually will not follow the general statistics for survival, since somehow other factors are at play, which sometimes you will find referred to as “exceptional”.

Species‐ and habitat‐specific otolith chemistry patterns inform riverine fisheries management

Science.gov (United States)

Radigan, William; Carlson, Andrew K.; Kientz, Jeremy; Chipps, Steven R.; Fincel, Mark J.; Graeb, Brian D. S.

2018-01-01

Geology and hydrology are drivers of water chemistry and thus important considerations for fish otolith chemistry research. However, other factors such as species and habitat identity may have predictive ability, enabling selection of appropriate elemental signatures prior to costly, perhaps unnecessary water/age‐0 fish sampling. The goal of this study was to develop a predictive methodology for using species and habitat identity to design efficient otolith chemistry studies. Duplicate water samples and age‐0 fish were collected from 61 sites in 4 Missouri River reservoirs for walleye Sander vitreus and one impoundment (Lake Sharpe, South Dakota) for other fishes (bluegill Lepomis macrochirus, black crappie Pomoxis nigromaculatus, gizzard shad Dorosoma cepedianum, largemouth bass Micropterus salmoides, smallmouth bass M. dolomieu, white bass Morone chrysops, white crappie P. annularis, and yellow perch Perca flavescens). Water chemistry (barium:calcium [Ba:Ca], strontium:calcium [Sr:Ca]) was temporally stable, spatially variable, and highly correlated with otolith chemistry for all species except yellow perch. Classification accuracies based on bivariate Ba:Ca and Sr:Ca signatures were high (84% across species) yet varied between floodplain and main‐channel habitats in a species‐specific manner. Thus, to maximize the reliability of otolith chemistry, researchers can use species classifications presented herein to inform habitat selection (e.g., study reservoir‐oriented species such as white bass in main‐channel environments) and habitat‐based classifications to inform species selection (e.g., focus floodplain studies on littoral species such as largemouth bass). Overall, species and habitat identity are important considerations for efficient, effective otolith chemistry studies that inform and advance fisheries and aquatic resource management.

Some applications of radiation chemistry to biochemistry and radiobiology

International Nuclear Information System (INIS)

Wardman, P.

1987-01-01

In this chapter illustrate the use of radiation chemistry as a tool in investigating biologically important radical reactions, and also outline some studies of models for radiobiological damage. Because aqueous solutions usually offer the most important matrix, an appreciation of the main features of water radiolysis will be essential. Most of the illustrations involve pulse radiolysis, and some familiarity with chemical kinetics is assumed. In addition to these and other chapters in this book, readers find the proceedings of a recent NATO Advanced Study Institute most useful. The authors shall not try to review here all the applications of radiation chemistry to biochemistry and biology, but they will illustrate, using selected examples, the main principles and practical advantages and problems. Another recent volume covers the main contributions of flash photolysis and pulse radiolysis to the chemistry of biology and medicine, complementing earlier reviews. Papers from symposia on radical processes in radiobiology and carcinogenesis, and on super-oxide dismutases, and proceedings of recent international congresses of radiation research, together with the other publications referred to above will enable the reader to gain a comprehensive overview of the role of radicals in biological processes and the contributions of radiation chemistry

Ask the experts: the challenges and benefits of flow chemistry to optimize drug development.

Science.gov (United States)

Anderson, Neal; Gernaey, Krist V; Jamison, Timothy F; Kircher, Manfred; Wiles, Charlotte; Leadbeater, Nicholas E; Sandford, Graham; Richardson, Paul

2012-09-01

Against a backdrop of a struggling economic and regulatory climate, pharmaceutical companies have recently been forced to develop new ways to provide more efficient technology to meet the demands of a competitive drug industry. This issue, coupled with an increase in patent legislation and a rising generics market, makes these themes common issues in the growth of drug development. As a consequence, the importance of process chemistry and scale-up has never been more under the spotlight. Future Medicinal Chemistry wishes to share the thoughts and opinions of a variety of experts from this field, discussing issues concerning the use of flow chemistry to optimize drug development, the potential regulatory and environmental challenges faced with this, and whether the academic and industrial sectors could benefit from a more harmonized system relevant to process chemistry.

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

Science.gov (United States)

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

2017-09-29

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

1.1.2. SYNTHESIS: THE FIRST STEP IN CHEMISTRY!

Directory of Open Access Journals (Sweden)

Manuel Azócar

2013-01-01

Full Text Available Every chemist has at some time synthesized a compound, because synthesizing is the beginning of all subsequent studies. It does not matter if the applications include medicine, engineering, food, energy, or it is just the interest in creating new molecules.Most discoveries in chemistry include the synthesis of new materials and everyday new compounds are created or found, and innovative preparation routes aretested.

Third Chemistry Conference on Recent Trends in Chemistry

International Nuclear Information System (INIS)

Saeed, M.M.; Wheed, S.

2011-01-01

The third chemistry conference 2011 on recent trends in chemistry was held from October 17-19, 2001 at Islamabad, Pakistan. More than 65 papers and oral presentation. The scope of the conference was wide open and provides and opportunity for participation of broad spectrum of chemists. This forum provided a platform for the dissemination of the latest research followed by discussion pertaining to new trends in chemistry. This con fence covered different aspects of subjects including analytical chemistry, environmental chemistry, polymer chemistry, industrial chemistry, biochemistry and nano chemistry etc. (A.B.)

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.

Impact of the ovarian cycle and pregnancy on plasma chemistry values in ewes.

Science.gov (United States)

Zywicki, Micaela E; Blohowiak, Sharon E; Magness, Ronald R; Segar, Jeffrey L; Kling, Pamela J

2018-03-01

Normative data for plasma chemistry values in pregnant and non-pregnant reproductive age ewes are scant. Availability of data would aid monitoring of ewe health for both research and veterinary medicine. We determined specific plasma chemistry 95% confidence reference intervals (RIs) in non-pregnant and pregnant ewes. Mixed Western-breed ewes were grouped based on phase of ovarian cycle: luteal ( n = 15), follicular ( n = 17), or late-gestation pregnant ( n = 102). Plasma samples were collected for analysis on a commercial biochemical analyzer. For RIs, chemistry panels for the 3 groups of ewes included nutrients and metabolites (glucose, triglycerides, cholesterol, urea, creatinine, total protein, albumin, and bilirubin), enzymes (lactate dehydrogenase, aspartate transaminase, gamma-glutamyl transferase, alanine aminotransferase, and alkaline phosphatase [ALP]), and micronutrients (calcium, phosphorus, iron, sodium, potassium, and chloride). Sample chemistry values for glucose and total protein in pregnant ewes were lower than in follicular ewes; cholesterol was lower in pregnant and luteal ewes than in follicular ewes. In addition, total bilirubin in pregnant ewes differed from that in luteal ewes, and that in follicular ewes also differed from luteal ewes. ALP in pregnant ewes was higher than other groups; phosphorus in pregnant ewes was lower than in luteal ewes. Iron was higher in pregnant ewes than in luteal ewes, with iron in luteal ewes lower than in follicular ewes. These data provide clinical RIs comparing pregnant and non-pregnant ewes for use in monitoring ewe health in both human research and veterinary medicine.

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

Science.gov (United States)

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

2010-01-01

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

Preliminary Surficial Geology of the Dove Spring Off-Highway Vehicle Open Area, Mojave Desert, California

Science.gov (United States)

Miller, David M.; Amoroso, Lee

2007-01-01

Introduction As part of a U.S. Geological Survey (USGS) monitoring plan to evaluate the environmental impact of off-highway vehicle (OHV) use on Bureau of Land Management (BLM) land in California, this report presents results of geologic studies in the Dove Spring OHV Open Area. This study produced baseline data, which when combined with historic and current patterns of land use, forms the basis for vegetation and wildlife monitoring designed to address the following questions: 1. Is the density and length of OHV routes increasing? 2. Are there cumulative effects of past and current OHV use associated with changes in the environmental integrity of soils, plants, and wildlife? 3. Is the spread of invasive species associated with levels of OHV use? 4. Is there a threshold of OHV impact that might be translated to management action by the BLM? The monitoring studies will be used to collect baseline environmental information to determine levels of environmental impact of OHV use. This approach will use a low-impact area as a proxy for pre-impact conditions (substituting space for time) to determine thresholds of OHV impacts beyond which environmental integrity is affected. Indicators of environmental integrity will emphasize factors that are fundamental to ecosystem structure and function and likely to be sensitive to OHV impacts. Surficial geology is studied because material properties such as texture and chemistry strongly control soil moisture and nutrient availability and therefore affect plant growth and distribution. An understanding of surficial geology can be used to predict and extrapolate soil properties and improve understanding of vegetation assemblages and their distribution. In the present study, vegetation associations may be examined as a function of surficial geology as well as other environmental variables such as slope, aspect, NRCS (National Resources Conservation Service) soil classification, elevation, and land-use history. Ground measurements of

Radiation chemistry

International Nuclear Information System (INIS)

Rodgers, F.; Rodgers, M.A.

1987-01-01

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

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

Radioactivity a history of a mysterious science

CERN Document Server

Malley, Marjorie C

2011-01-01

Beginning with an obscure discovery in 1896, radioactivity led researchers on a quest for understanding that ultimately confronted the intersection of knowledge and mystery. This book tells the story of a new science that profoundly changed physics and chemistry, as well as areas such as medicine, geology, meteorology, archaeology, industry, politics, and popular culture.

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

[Application of chemometrics in composition-activity relationship research of traditional Chinese medicine].

Science.gov (United States)

Han, Sheng-Nan

2014-07-01

Chemometrics is a new branch of chemistry which is widely applied to various fields of analytical chemistry. Chemometrics can use theories and methods of mathematics, statistics, computer science and other related disciplines to optimize the chemical measurement process and maximize access to acquire chemical information and other information on material systems by analyzing chemical measurement data. In recent years, traditional Chinese medicine has attracted widespread attention. In the research of traditional Chinese medicine, it has been a key problem that how to interpret the relationship between various chemical components and its efficacy, which seriously restricts the modernization of Chinese medicine. As chemometrics brings the multivariate analysis methods into the chemical research, it has been applied as an effective research tool in the composition-activity relationship research of Chinese medicine. This article reviews the applications of chemometrics methods in the composition-activity relationship research in recent years. The applications of multivariate statistical analysis methods (such as regression analysis, correlation analysis, principal component analysis, etc. ) and artificial neural network (such as back propagation artificial neural network, radical basis function neural network, support vector machine, etc. ) are summarized, including the brief fundamental principles, the research contents and the advantages and disadvantages. Finally, the existing main problems and prospects of its future researches are proposed.

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

Chemistry and Biology of the Caged Garcinia Xanthones

Science.gov (United States)

Chantarasriwong, Oraphin; Batova, Ayse; Chavasiri, Warinthorn

2011-01-01

Natural products have been a great source of many small molecule drugs for various diseases. In spite of recent advances in biochemical engineering and fermentation technologies that allow us to explore microorganisms and the marine environment as alternative sources of drugs, more than 70% of the current small molecule therapeutics derive their structures from plants used in traditional medicine. Natural-product-based drug discovery relies heavily on advances made in the sciences of biology and chemistry. Whereas biology aims to investigate the mode of action of a natural product, chemistry aims to overcome challenges related to its supply, bioactivity, and target selectivity. This review summarizes the explorations of the caged Garcinia xanthones, a family of plant metabolites that possess a unique chemical structure, potent bioactivities, and a promising pharmacology for drug design and development. PMID:20648491

Quantitative geological modeling based on probabilistic integration of geological and geophysical data

DEFF Research Database (Denmark)

Gulbrandsen, Mats Lundh

In order to obtain an adequate geological model of any kind, proper integration of geophysical data, borehole logs and geological expert knowledge is important. Geophysical data provide indirect information about geology, borehole logs provide sparse point wise direct information about geology...... entitled Smart Interpretation is developed. This semi-automatic method learns the relation between a set of data attributes extracted from deterministically inverted airborne electromagnetic data and a set of interpretations of a geological layer that is manually picked by a geological expert...

On the road to personalised and precision geomedicine: medical geology and a renewed call for interdisciplinarity.

Science.gov (United States)

Kamel Boulos, Maged N; Le Blond, Jennifer

2016-01-28

Our health depends on where we currently live, as well as on where we have lived in the past and for how long in each place. An individual's place history is particularly relevant in conditions with long latency between exposures and clinical manifestations, as is the case in many types of cancer and chronic conditions. A patient's geographic history should routinely be considered by physicians when diagnosing and treating individual patients. It can provide useful contextual environmental information (and the corresponding health risks) about the patient, and should thus form an essential part of every electronic patient/health record. Medical geology investigations, in their attempt to document the complex relationships between the environment and human health, typically involve a multitude of disciplines and expertise. Arguably, the spatial component is the one factor that ties in all these disciplines together in medical geology studies. In a general sense, epidemiology, statistical genetics, geoscience, geomedical engineering and public and environmental health informatics tend to study data in terms of populations, whereas medicine (including personalised and precision geomedicine, and lifestyle medicine), genetics, genomics, toxicology and biomedical/health informatics more likely work on individuals or some individual mechanism describing disease. This article introduces with examples the core concepts of medical geology and geomedicine. The ultimate goals of prediction, prevention and personalised treatment in the case of geology-dependent disease can only be realised through an intensive multiple-disciplinary approach, where the various relevant disciplines collaborate together and complement each other in additive (multidisciplinary), interactive (interdisciplinary) and holistic (transdisciplinary and cross-disciplinary) manners.

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.

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.

[Medecine and chemistry in the context of the Enlightenment: the thesis of the Lausanne physician Marc-Louis Vullyamoz].

Science.gov (United States)

Terrier, Georges

2003-01-01

The chemico-medical essay "De sale lactis essentiali" is a thesis presented in Leyden in 1756 by a physician from Lausanne, M.-L. Vullyamoz, to obtain the medical degree. It shows that chemistry has become a university science connected with medicine and that combustion was explained at that time by G. E. Stahl's theory of the phlogiston. It reminds us that the hypotheses of this German physician, which were part of the animistic doctrine, were widely adopted in Europe. In chemistry they began to fade in 1789 after the publication of Lavoisier's work on oxydation. Nevertheless, they have contributed to establish a modern science. In medicine Stahl's animism evolved towards vitalism, which survived in several forms. Vullyamoz's thesis, which presents chemical experiences intended to analyse and promote a popular medicine, is a testimony of the spirit of Enlightenment, which rejects dogmatism and tries to understand facts through observation and the use of reason.

A spatial and seasonal assessment of river water chemistry across North West England.

Science.gov (United States)

Rothwell, J J; Dise, N B; Taylor, K G; Allott, T E H; Scholefield, P; Davies, H; Neal, C

2010-01-15

This paper presents information on the spatial and seasonal patterns of river water chemistry at approximately 800 sites in North West England based on data from the Environment Agency regional monitoring programme. Within a GIS framework, the linkages between average water chemistry (pH, sulphate, base cations, nutrients and metals) catchment characteristics (topography, land cover, soil hydrology, base flow index and geology), rainfall, deposition chemistry and geo-spatial information on discharge consents (point sources) are examined. Water quality maps reveal that there is a clear distinction between the uplands and lowlands. Upland waters are acidic and have low concentrations of base cations, explained by background geological sources and land cover. Localised high concentrations of metals occur in areas of the Cumbrian Fells which are subjected to mining effluent inputs. Nutrient concentrations are low in the uplands with the exception sites receiving effluent inputs from rural point sources. In the lowlands, both past and present human activities have a major impact on river water chemistry, especially in the urban and industrial heartlands of Greater Manchester, south Lancashire and Merseyside. Over 40% of the sites have average orthophosphate concentrations >0.1mg-Pl(-1). Results suggest that the dominant control on orthophosphate concentrations is point source contributions from sewage effluent inputs. Diffuse agricultural sources are also important, although this influence is masked by the impact of point sources. Average nitrate concentrations are linked to the coverage of arable land, although sewage effluent inputs have a significant effect on nitrate concentrations. Metal concentrations in the lowlands are linked to diffuse and point sources. The study demonstrates that point sources, as well as diffuse sources, need to be considered when targeting measures for the effective reduction in river nutrient concentrations. This issue is clearly important

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.

Scottish Universities Research and Reactor Centre annual report 1987-1988

International Nuclear Information System (INIS)

Whitley, J.E.

1988-01-01

The Scottish Universities Research and Reactor Centre (SURRC) provides facilities for research in isotopic, nuclear and earth sciences and collaborates with Scottish University departments on a wide range of research topics. One of its main areas of work is the Isotope Geology Unit. This has worked with the Nuclear Medicine Unit on the application of enriched stable isotope tracers in the biological and clinical sciences. The measurement of radioactive isomers is applied to quaternary geology, archaeology, nuclear medicine, health physics, oceanography, atomospheric sciences, environmental chemistry, nuclear waste disposal and mathematical modelling of the environment. There are also radiocarbon dating facilities. The facilities and the research undertaken at the Centre in the year 1987-1988, the Centre's twenty-fifth year are summarized in this report. (U.K.)

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

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

Science.gov (United States)

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

2017-07-01

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

Structural Chemistry of Human RNA Methyltransferases.

Science.gov (United States)

Schapira, Matthieu

2016-03-18

RNA methyltransferases (RNMTs) play important roles in RNA stability, splicing, and epigenetic mechanisms. They constitute a promising target class that is underexplored by the medicinal chemistry community. Information of relevance to drug design can be extracted from the rich structural coverage of human RNMTs. In this work, the structural chemistry of this protein family is analyzed in depth. Unlike most methyltransferases, RNMTs generally feature a substrate-binding site that is largely open on the cofactor-binding pocket, favoring the design of bisubstrate inhibitors. Substrate purine or pyrimidines are often sandwiched between hydrophobic walls that can accommodate planar ring systems. When the substrate base is laying on a shallow surface, a 5' flanking base is sometimes anchored in a druggable cavity. The cofactor-binding site is structurally more diverse than in protein methyltransferases and more druggable in SPOUT than in Rossman-fold enzymes. Finally, conformational plasticity observed both at the substrate and cofactor binding sites may be a challenge for structure-based drug design. The landscape drawn here may inform ongoing efforts toward the discovery of the first human RNMT inhibitors.

Comparison of 2 electrophoretic methods and a wet-chemistry method in the analysis of canine lipoproteins.

Science.gov (United States)

Behling-Kelly, Erica

2016-03-01

The evaluation of lipoprotein metabolism in small animal medicine is hindered by the lack of a gold standard method and paucity of validation data to support the use of automated chemistry methods available in the typical veterinary clinical pathology laboratory. The physical and chemical differences between canine and human lipoproteins draw into question whether the transference of some of these human methodologies for the study of canine lipoproteins is valid. Validation of methodology must go hand in hand with exploratory studies into the diagnostic or prognostic utility of measuring specific lipoproteins in veterinary medicine. The goal of this study was to compare one commercially available wet-chemistry method to manual and automated lipoprotein electrophoresis in the analysis of canine lipoproteins. Canine lipoproteins from 50 dogs were prospectively analyzed by 2 electrophoretic methods, one automated and one manual method, and one wet-chemistry method. Electrophoretic methods identified a higher proportion of low-density lipoproteins than the wet-chemistry method. Automated electrophoresis occasionally failed to identify very low-density lipoproteins. Wet-chemistry methods designed for evaluation of human lipoproteins are insensitive to canine low-density lipoproteins and may not be applicable to the study of canine lipoproteins. Automated electrophoretic methods will likely require significant modifications if they are to be used in the analysis of canine lipoproteins. Studies aimed at determining the impact of a disease state on lipoproteins should thoroughly investigate the selected methodology prior to the onset of the study. © 2016 American Society for Veterinary Clinical Pathology.

Geologic history of quartz-normative and olivine-normative basalts in the vicinity of Hadley Rille (Apollo 15)

International Nuclear Information System (INIS)

Grove, T.L.

1985-01-01

The geologic history of the quartz normative (QNB) and olivine normative (ONB) basalt types at Hadley Rille are discussed. A model for the geology of the mare basalts was constructed from a combination of field observations, sample chemistry, sample petrology and personal bias from terrestrial experience. The model proposes that the QNBs are the only mare lava type that is present as outcrop in the area traversed by the astronauts during the Apollo 15 mission. The returned QNB samples formed during a single eruptive phase of the Hadley Rille lava tube system. The ONB lavas are an exotic component transported to the site by a cratering event, or the ONBs are samples excavated from older are bedrock that was partly covered by the QNB lavas

Designing multiple ligands - medicinal chemistry strategies and challenges.

Science.gov (United States)

Morphy, Richard; Rankovic, Zoran

2009-01-01

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

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.

The U.S. Geological Survey Geologic Collections Management System (GCMS)—A master catalog and collections management plan for U.S. Geological Survey geologic samples and sample collections

Science.gov (United States)

,

2015-01-01

The U.S. Geological Survey (USGS) is widely recognized in the earth science community as possessing extensive collections of earth materials collected by research personnel over the course of its history. In 2006, a Geologic Collections Inventory was conducted within the USGS Geology Discipline to determine the extent and nature of its sample collections, and in 2008, a working group was convened by the USGS National Geologic and Geophysical Data Preservation Program to examine ways in which these collections could be coordinated, cataloged, and made available to researchers both inside and outside the USGS. The charge to this working group was to evaluate the proposition of creating a Geologic Collections Management System (GCMS), a centralized database that would (1) identify all existing USGS geologic collections, regardless of size, (2) create a virtual link among the collections, and (3) provide a way for scientists and other researchers to obtain access to the samples and data in which they are interested. Additionally, the group was instructed to develop criteria for evaluating current collections and to establish an operating plan and set of standard practices for handling, identifying, and managing future sample collections. Policies and procedures promoted by the GCMS would be based on extant best practices established by the National Science Foundation and the Smithsonian Institution. The resulting report—USGS Circular 1410, “The U.S. Geological Survey Geologic Collections Management System (GCMS): A Master Catalog and Collections Management Plan for U.S. Geological Survey Geologic Samples and Sample Collections”—has been developed for sample repositories to be a guide to establishing common practices in the collection, retention, and disposal of geologic research materials throughout the USGS.

Environmental geologic analysis of Rio de las Taguas basin Departmento Iglesia San Juan Argentina

International Nuclear Information System (INIS)

Arroqui Langer, A.; Cardus, A.; Sindern, S.; Nozica, G.

2007-01-01

A mineral environmental research project results where it has been located in Rio de las Taguas basin, Departamento Iglesia, Provincia de San Juan, Argentina. It has been placed in frontal Andean mountain in San Juan. In this geographic framework has been developed Au and Ag mineral project in order the world scale. The aim of this article is has been related the mineral and geological units bet wen the basin chemistry as well as to carry out future measurements mines impacts in this area. (author)

The effects of land use on fluvial sediment chemistry for the conterminous U.S. - results from the first cycle of the NAWQA Program: trace and major elements, phosphorus, carbon, and sulfur.

Science.gov (United States)

Horowitz, Arthur J; Stephens, Verlin C

2008-08-01

In 1991, the U.S. Geological Survey (USGS) began the first cycle of its National Water Quality Assessment (NAWQA) Program. The Program encompassed 51 river basins that collectively accounted for more than 70% of the total water use (excluding power generation), and 50% of the drinking water supply in the U.S. The basins represented a variety of hydrologic settings, rock types (geology), land-use categories, and population densities. One aspect of the first cycle included bed sediment sampling; sites were chosen to represent baseline and important land-use categories (e.g., agriculture, urban) in each basin. In total, over 1200 bed sediment samples were collected. All samples were size-limited (or=95% of the concentrations present), rather than total-recoverable chemical data. Land-use percentages, upstream underlying geology, and population density were determined for each site and evaluated to asses their relative influence on sediment chemistry. Baseline concentrations for the entire U.S. also were generated from a subset of all the samples, and are based on material collected from low population (sediment chemistry. The only land-use category that appears to substantially affect sediment chemistry is percent urban, and this result is mirrored by population density; in fact, the latter appears more consistent than the former.

Minimal geological methane emissions during the Younger Dryas-Preboreal abrupt warming event.

Science.gov (United States)

Petrenko, Vasilii V; Smith, Andrew M; Schaefer, Hinrich; Riedel, Katja; Brook, Edward; Baggenstos, Daniel; Harth, Christina; Hua, Quan; Buizert, Christo; Schilt, Adrian; Fain, Xavier; Mitchell, Logan; Bauska, Thomas; Orsi, Anais; Weiss, Ray F; Severinghaus, Jeffrey P

2017-08-23

Methane (CH 4 ) is a powerful greenhouse gas and plays a key part in global atmospheric chemistry. Natural geological emissions (fossil methane vented naturally from marine and terrestrial seeps and mud volcanoes) are thought to contribute around 52 teragrams of methane per year to the global methane source, about 10 per cent of the total, but both bottom-up methods (measuring emissions) and top-down approaches (measuring atmospheric mole fractions and isotopes) for constraining these geological emissions have been associated with large uncertainties. Here we use ice core measurements to quantify the absolute amount of radiocarbon-containing methane ( 14 CH 4 ) in the past atmosphere and show that geological methane emissions were no higher than 15.4 teragrams per year (95 per cent confidence), averaged over the abrupt warming event that occurred between the Younger Dryas and Preboreal intervals, approximately 11,600 years ago. Assuming that past geological methane emissions were no lower than today, our results indicate that current estimates of today's natural geological methane emissions (about 52 teragrams per year) are too high and, by extension, that current estimates of anthropogenic fossil methane emissions are too low. Our results also improve on and confirm earlier findings that the rapid increase of about 50 per cent in mole fraction of atmospheric methane at the Younger Dryas-Preboreal event was driven by contemporaneous methane from sources such as wetlands; our findings constrain the contribution from old carbon reservoirs (marine methane hydrates, permafrost and methane trapped under ice) to 19 per cent or less (95 per cent confidence). To the extent that the characteristics of the most recent deglaciation and the Younger Dryas-Preboreal warming are comparable to those of the current anthropogenic warming, our measurements suggest that large future atmospheric releases of methane from old carbon sources are unlikely to occur.

Minimal geological methane emissions during the Younger Dryas-Preboreal abrupt warming event

Science.gov (United States)

Petrenko, Vasilii V.; Smith, Andrew M.; Schaefer, Hinrich; Riedel, Katja; Brook, Edward; Baggenstos, Daniel; Harth, Christina; Hua, Quan; Buizert, Christo; Schilt, Adrian; Fain, Xavier; Mitchell, Logan; Bauska, Thomas; Orsi, Anais; Weiss, Ray F.; Severinghaus, Jeffrey P.

2017-08-01

Methane (CH4) is a powerful greenhouse gas and plays a key part in global atmospheric chemistry. Natural geological emissions (fossil methane vented naturally from marine and terrestrial seeps and mud volcanoes) are thought to contribute around 52 teragrams of methane per year to the global methane source, about 10 per cent of the total, but both bottom-up methods (measuring emissions) and top-down approaches (measuring atmospheric mole fractions and isotopes) for constraining these geological emissions have been associated with large uncertainties. Here we use ice core measurements to quantify the absolute amount of radiocarbon-containing methane (14CH4) in the past atmosphere and show that geological methane emissions were no higher than 15.4 teragrams per year (95 per cent confidence), averaged over the abrupt warming event that occurred between the Younger Dryas and Preboreal intervals, approximately 11,600 years ago. Assuming that past geological methane emissions were no lower than today, our results indicate that current estimates of today’s natural geological methane emissions (about 52 teragrams per year) are too high and, by extension, that current estimates of anthropogenic fossil methane emissions are too low. Our results also improve on and confirm earlier findings that the rapid increase of about 50 per cent in mole fraction of atmospheric methane at the Younger Dryas-Preboreal event was driven by contemporaneous methane from sources such as wetlands; our findings constrain the contribution from old carbon reservoirs (marine methane hydrates, permafrost and methane trapped under ice) to 19 per cent or less (95 per cent confidence). To the extent that the characteristics of the most recent deglaciation and the Younger Dryas-Preboreal warming are comparable to those of the current anthropogenic warming, our measurements suggest that large future atmospheric releases of methane from old carbon sources are unlikely to occur.

Predictive modeling of terrestrial radiation exposure from geologic materials

Science.gov (United States)

Haber, Daniel A.

concentrations determined via in situ radiation measurements with high purity germanium detectors (HPGe) and aerial survey measurements. These various measurement techniques have been compared and found to produce consistent results. Finally, modeling using Monte Carlo N-Particle Transport Code (MCNP), a particle physics modeling code, has allowed us to derive concentration to exposure rate coefficients. These simulations also have shown that differences in major element chemistry have little impact on the gamma ray emissions of geologic materials.

Study on geology and geological structure based on literature studies

International Nuclear Information System (INIS)

Funaki, Hironori; Ishii, Eiichi; Yasue, Ken-ichi; Takahashi, Kazuharu

2005-03-01

Japan Nuclear Cycle Development Institute (JNC) is proceeding with underground research laboratory (URL) project for the sedimentary rock in Horonobe, Hokkaido. This project is an investigation project which is planned over 20 years. Surface-based investigations (Phase 1) have been conducted for the present. The purposes of the Phase 1 are to construct the geological environment model (geological-structural, hydrogeological, and hydrochemical models) and to confirm the applicability of investigation technologies for the geological environment. The geological-structural model comprises the base for the hydrogeological and hydrochemical models. We constructed the geological-structural model by mainly using data obtained from literature studies. Particulars regarding which data the model is based on and who has performed the interpretation are also saved for traceability. As a result, we explain the understanding of degree and the need of information on stratigraphy and discontinuous structure. (author)

Hydrogeological Properties of Geological Elements in Geological Model around KURT

Energy Technology Data Exchange (ETDEWEB)

Park, Kyung Woo; Kim, Kyung Soo; Koh, Yong Kwon; Choi, Jong Won [Korea Atomic Energy Institue, Daejeon (Korea, Republic of)

2012-09-15

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.

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.

Training requirements for chemists in radiotracer development for nuclear medicine

International Nuclear Information System (INIS)

Finn, R.; Fowler, J.

1988-01-01

This panel was organized to address the current and anticipated future shortage of chemists with advanced training to fill positions in the nuclear medicine field. Although hard data and statistics are difficult to acquire, we will attempt to highlight the impact of chemistry on nuclear medicine and to describe the growth of the field which has led to an increasing need for chemists resulting in the current manpower shortage. We also will make recommendations for attracting Ph.D. chemists to careers in nuclear medicine research and possible mechanisms for postgraduate training. Solving this problem and establishing a long term committment and mechanism for advanced training is critically important to meet the current needs of the profession and to assure future growth and innovation. 3 tabs

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.

Fish-assemblage variation between geologically defined regions and across a longitudinal gradient in the Monkey River Basin, Belize

Science.gov (United States)

Esselman, P.C.; Freeman, Mary C.; Pringle, C.M.

2006-01-01

Linkages between geology and fish assemblages have been inferred in many regions throughout the world, but no studies have yet investigated whether fish assemblages differ across geologies in Mesoamerica. The goals of our study were to: 1) compare physicochemical conditions and fish-assemblage structure across 2 geologic types in headwaters of the Monkey River Basin, Belize, and 2) describe basin-scale patterns in fish community composition and structure for the benefit of conservation efforts. We censused headwater-pool fishes by direct observation, and assessed habitat size, structure, and water chemistry to compare habitat and fish richness, diversity, evenness, and density between streams in the variably metamorphosed sedimentary geologic type typical of 80% of Belize's Maya Mountains (the Santa Rosa Group), and an anomalous extrusive geologic formation in the same area (the Bladen Volcanic Member). We also collected species-presence data from 20 sites throughout the basin for analyses of compositional patterns from the headwaters to the top of the estuary. Thirty-nine fish species in 21 families were observed. Poeciliids were numerically dominant, making up 39% of individuals captured, followed by characins (25%), and cichlids (20%). Cichlidae was the most species-rich family (7 spp.), followed by Poeciliidae (6 spp.). Habitat size and water chemistry differed strongly between geologic types, but habitat diversity did not. Major fish-assemblage differences also were not obvious between geologies, despite a marked difference in the presence of the aquatic macrophyte, Marathrum oxycarpum (Podostemaceae), which covered 37% of the stream bottom in high-nutrient streams draining the Santa Rosa Group, and did not occur in the low-P streams draining the Bladen Volcanic Member. Correlation analyses suggested that distance from the sea and amount of cover within pools are important to fish-assemblage structure, but that differing abiotic factors may influence

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

Transboundary geophysical mapping of geological elements and salinity distribution critical for the assessment of future sea water intrusion in response to sea level rise

DEFF Research Database (Denmark)

Joergensen, F.; Scheer, W.; Thomsen, S.

2012-01-01

Geophysical techniques are increasingly being used as tools for characterising the subsurface, and they are generally required to develop subsurface models that properly delineate the distribution of aquifers and aquitards, salt/freshwater interfaces, and geological structures that affect......, and sand aquifers are all examples of geological structures mapped by the geophysical data that control groundwater flow and to some extent hydrochemistry. Additionally, the data provide an excellent picture of the salinity distribution in the area and thus provide important information on the salt...... revealed. The mapped salinity distribution indicates preferential flow paths through and along specific geological structures within the area. The effects of a future sea level rise on the groundwater system and groundwater chemistry are discussed with special emphasis on the importance of knowing...

Hubungan Kondisi Geologi terhadap Alterasi dan Mineralisasi Endapan Epithermal Daerah Sualan, Kecamatan Talegong, Kabupaten Garut, Provinsi Jawa Barat

OpenAIRE

Kumala Sari, Paramitha Eka

2013-01-01

In exploration process of epithermal deposit, it is important to understand alteration and mineralization. The presence of alteration and mineralization zones help development of ore mineral exploration. Hydrothermal alteration is change of the chemistry, physics, mineralogy and origin textures of rocks as it interacts with the hydrothermal fluid. Alteration and mineralization zones has characteristics and certain minerals in each area.The research purposes are to determine the geological ...

RADIATION CHEMISTRY 2010 GORDON RESEARCH CONFERENCE JULY 18-23

Energy Technology Data Exchange (ETDEWEB)

Thomas Orlando

2010-07-23

The 2010 Gordon Conference on Radiation Chemistry will present cutting edge research regarding the study of radiation-induced chemical transformations. Radiation Chemistry or 'high energy' chemistry is primarily initiated by ionizing radiation: i.e. photons or particles with energy sufficient to create conduction band electrons and 'holes', excitons, ionic and neutral free radicals, highly excited states, and solvated electrons. These transients often interact or 'react' to form products vastly different than those produced under thermal equilibrium conditions. The non-equilibrium, non-thermal conditions driving radiation chemistry exist in plasmas, star-forming regions, the outer solar system, nuclear reactors, nuclear waste repositories, radiation-based medical/clinical treatment centers and in radiation/materials processing facilities. The 2010 conference has a strong interdisciplinary flavor with focus areas spanning (1) the fundamental physics and chemistry involved in ultrafast (atto/femtosecond) energy deposition events, (2) radiation-induced processes in biology (particularly spatially resolved studies), (3) radiation-induced modification of materials at the nanoscale and cosmic ray/x-ray mediated processes in planetary science/astrochemistry. While the conference concentrates on fundamental science, topical applied areas covered will also include nuclear power, materials/polymer processing, and clinical/radiation treatment in medicine. The Conference will bring together investigators at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present work in poster format or as contributors to the Young Investigator session. The program and format provides excellent avenues to promote cross-disciplinary collaborations.

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

Clinical chemistry since 1800: growth and development.

Science.gov (United States)

Rosenfeld, Louis

2002-01-01

The 19th and 20th centuries witnessed the growth and development of clinical chemistry. Many of the individuals and the significance of their contributions are not very well known, especially to new members of the profession. This survey should help familiarize them with the names and significance of the contributions of physicians and chemists such as Fourcroy, Berzelius, Liebig, Prout, Bright, and Rees. Folin and Van Slyke are better known, and it was their work near the end of the second decade of the 20th century that brought the clinical chemist out of the annex of the mortuary and into close relationship with the patient at the bedside. However, the impact on clinical chemistry and the practice of medicine by the 1910 exposé written by Abraham Flexner is not as well known as it deserves to be, nor is the impetus that World War I gave to the spread of laboratory medicine generally known. In the closing decades of the 20th century, automated devices produced an overabundance, and an overuse and misuse, of testing to the detriment of careful history taking and bedside examination of the patient. This is attributable in part to a fascination with machine-produced data. There was also an increased awareness of the value of chemical methods of diagnosis and the need to bring clinician and clinical chemist into a closer partnership. Clinical chemists were urged to develop services into dynamic descriptions of the diagnostic values of laboratory results and to identify medical relevance in interpreting significance for the clinician.

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.)

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...

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.

Bias Assessment of General Chemistry Analytes using Commutable Samples.

Science.gov (United States)

Koerbin, Gus; Tate, Jillian R; Ryan, Julie; Jones, Graham Rd; Sikaris, Ken A; Kanowski, David; Reed, Maxine; Gill, Janice; Koumantakis, George; Yen, Tina; St John, Andrew; Hickman, Peter E; Simpson, Aaron; Graham, Peter

2014-11-01

Harmonisation of reference intervals for routine general chemistry analytes has been a goal for many years. Analytical bias may prevent this harmonisation. To determine if analytical bias is present when comparing methods, the use of commutable samples, or samples that have the same properties as the clinical samples routinely analysed, should be used as reference samples to eliminate the possibility of matrix effect. The use of commutable samples has improved the identification of unacceptable analytical performance in the Netherlands and Spain. The International Federation of Clinical Chemistry and Laboratory Medicine (IFCC) has undertaken a pilot study using commutable samples in an attempt to determine not only country specific reference intervals but to make them comparable between countries. Australia and New Zealand, through the Australasian Association of Clinical Biochemists (AACB), have also undertaken an assessment of analytical bias using commutable samples and determined that of the 27 general chemistry analytes studied, 19 showed sufficiently small between method biases as to not prevent harmonisation of reference intervals. Application of evidence based approaches including the determination of analytical bias using commutable material is necessary when seeking to harmonise reference intervals.

[h Index and scientific output of researchers in medicine from the University of Guadalajara, Mexico].

Science.gov (United States)

Panduro, Arturo; Ojeda-Granados, Claudia; Rivera, Horacio; Roman, Sonia

2015-01-01

To evaluate by the h index the scientific output of researchers from the University of Guadalajara who belong to the Sistema Nacional de Investigadores in the field of Medicine and Health Sciences. Researchers from the University of Guadalajara were selected from the Active SNI Researchers 2013 file. The scientific output of researchers in the fields of Medicine/Health Sciences and Biology/Chemistry was evaluated using the h index estimated by the Scopus website. A sample of capital researchers and Emeritus scientists was taken to perform the same procedure and compare data. The total number of researchers in the University of Guadalajara who are members of the SNI was 711, of which 67.2 % were level I and in less proportion were level II and III. Only 24.2 % of them were classified in the fields of Medicine/Health Sciences and Biology/Chemistry. The average h index value of researchers level I, II and III in Medicine/Health Sciences field was 5.4, 10.5 and 14.5, respectively. Capital and Emeritus scientists had an average h index of 23.4 and 19.8, respectively. The h index measures the quantity and quality of the scientific output and it also avoids bias in the evaluation process. It should be useful for future evaluations of the SNI members and for medical doctors who sign up for the National Academy of Medicine.

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.

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 ...

Research on geological disposal: R and D concept on geological disposal

International Nuclear Information System (INIS)

1993-01-01

The objective on geological disposal of high-level radioactive wastes are to ensure the long term radiological protection of the human and his environment in accordance with current internationally agreed radiation protection principles. The principle of geological disposal is to settle the high-level wastes in deep underground so as to isolate them from the human and his environment considering the existence of groundwater. Japan is currently in the stage of assessing technical feasibility of geological disposal to the extent practicable. In accordance with the AEC (Atomic Energy Commission) policy in 1989, PNC (Power Reactor and Nuclear Fuel Development Corporation) has conducted the research and development on geological disposal in three areas: 1) studies of geological environment, 2) research and development of disposal technology, and 3) performance assessment study. (author)

Introductory Geology From the Liberal Arts Approach: A Geology-Sociology Linked Course

Science.gov (United States)

Walsh, E. O.; Davis, E.

2008-12-01

Geology can be a hard sell to college students, especially to college students attending small, liberal arts institutions in localities that lack exaggerated topography. At these schools, Geology departments that wish to grow must work diligently to attract students to the major; professors must be able to convince a wider audience of students that geology is relevant to their everyday lives. Toward this end, a Physical Geology course was linked with an introductory Sociology course through the common theme of Consumption. The same students took the two courses in sequence, beginning with the Sociology course and ending with Physical Geology; thus, students began by discussing the role of consumption in society and ended by learning about the geological processes and implications of consumption. Students were able to ascertain the importance of geology in their daily lives by connecting Earth processes to specific products they consume, such as cell phones and bottled water. Students were also able to see the connection between seemingly disparate fields of study, which is a major goal of the liberal arts. As a theme, Consumption worked well to grab the attention of students interested in diverse issues, such as environmental science or social justice. A one-hour lecture illustrating the link between sociology and geology was developed for presentation to incoming freshmen and their parents to advertise the course. Initial response has been positive, showing an increase in awareness of geological processes among students with a wide range of interests.

Chemistry and metallurgy in the Portuguese Empire

Energy Technology Data Exchange (ETDEWEB)

Habashi, F. [Laval Univ., Sainte-Foy, Quebec City, PQ (Canada)

2000-10-01

The foundation and expansion of the Portuguese Empire is sketched, with emphasis on the development of a new type of ship by Prince Henrique the Navigator (AD 1385-1460), known as the caravel. By virtue of its advanced design, it was capable of sailing the stormy seas at high speeds, and thereby was instrumental in extending Portuguese influence over vast territories in South America, Asia and Africa, extending Portuguese know-how in mining, metallurgy, chemistry and trade along with Christianity. The role played by the University of Coimbra, founded in 1306, and the contribution of the Brazilian Geological Survey, established in 1875, and of the School of Mines in Ouro Preto in Brazil in 1876, in the exploitation of the mineral wealth of the Portuguese colonies is chronicled.

Solving the geologic issues in nuclear waste disposal

International Nuclear Information System (INIS)

Towse, D.

1979-01-01

Technical problems with nuclear waste disposal are largely geological. If these are not solved, curtailment of nuclear power development may follow, resulting in loss of an important element in the national energy supply. Present knowledge and credible advances are capable of solving these problems provided a systems view is preserved and a national development plan is followed. This requires identification of the critical controllable elements and a systematic underground test program to prove those critical elements. Waste migration can be understood and controlled by considering the key elements in the system: the system geometry, the hydrology, and the waste-rock-water chemistry. The waste program should: (1) identify and attack the critical problems first; (2) provide tests and demonstration at real disposal sites; and (3) schedule elements with long lead-times for early start and timely completion

Yearly scientific meeting: chemistry in human health and environment protection. Bialystok`92; Doroczny zjazd naukowy: chemia w ochronie zdrowia i srodowiska czlowieka. Bialystok`92

Energy Technology Data Exchange (ETDEWEB)

NONE

1992-12-31

The conference has been divided into 12 sections devoted to following topics: analytical chemistry; environmental chemistry; chemistry of natural compounds; chemistry of pharmaceutics and toxic compounds; chemistry in medicine; electrochemistry; young scientists forum; didactics and history of chemistry; chemistry and industry - technologies environment friendly; new trends in polymer science; crystallochemistry; pro-ecological actions in leather industry. Different analytical methods for determination of heavy methods and rare earths have been presented. Some of them have been successfully applied for the examination of environmental and biological materials. The basic chemical and physico-chemical studies including thermodynamic, crystal structure, coordination chemistry, sorption properties etc. have been extensively resented. The existence of radioactive elements in environment has been also investigated, especially in respect to municipal and industrial wastes and products of their processing. The radiation effects for different materials have been reported and discussed as well.

Yearly scientific meeting: chemistry in human health and environment protection. Bialystok`92; Doroczny zjazd naukowy: chemia w ochronie zdrowia i srodowiska czlowieka. Bialystok`92

Energy Technology Data Exchange (ETDEWEB)

NONE

1993-12-31

The conference has been divided into 12 sections devoted to following topics: analytical chemistry; environmental chemistry; chemistry of natural compounds; chemistry of pharmaceutics and toxic compounds; chemistry in medicine; electrochemistry; young scientists forum; didactics and history of chemistry; chemistry and industry - technologies environment friendly; new trends in polymer science; crystallochemistry; pro-ecological actions in leather industry. Different analytical methods for determination of heavy methods and rare earths have been presented. Some of them have been successfully applied for the examination of environmental and biological materials. The basic chemical and physico-chemical studies including thermodynamic, crystal structure, coordination chemistry, sorption properties etc. have been extensively resented. The existence of radioactive elements in environment has been also investigated, especially in respect to municipal and industrial wastes and products of their processing. The radiation effects for different materials have been reported and discussed as well.

Industrial chemistry engineering

International Nuclear Information System (INIS)

1993-01-01

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

Advanced chemistry management system to optimize BWR chemistry control

International Nuclear Information System (INIS)

Maeda, K.; Nagasawa, K.

2002-01-01

BWR plant chemistry control has close relationships among nuclear safety, component reliability, radiation field management and fuel integrity. Advanced technology is required to improve chemistry control [1,3,6,7,10,11]. Toshiba has developed TACMAN (Toshiba Advanced Chemistry Management system) to support BWR chemistry control. The TACMAN has been developed as response to utilities' years of requirements to keep plant operation safety, reliability and cost benefit. The advanced technology built into the TACMAN allows utilities to make efficient chemistry control and to keep cost benefit. TACMAN is currently being used in response to the needs for tools those plant chemists and engineers could use to optimize and identify plant chemistry conditions continuously. If an incipient condition or anomaly is detected at early stage, root causes evaluation and immediate countermeasures can be provided. Especially, the expert system brings numerous and competitive advantages not only to improve plant chemistry reliability but also to standardize and systematize know-how, empirical knowledge and technologies in BWR chemistry This paper shows detail functions of TACMAN and practical results to evaluate actual plant. (authors)

Evolutionary prediction of medicinal properties in the genus Euphorbia L

DEFF Research Database (Denmark)

Ernst, Madeleine; Saslis Lagoudakis, Haris; Grace, Olwen M.

2016-01-01

The current decrease of new drugs brought to the market has fostered renewed interest in plant-based drug discovery. Given the alarming rate of biodiversity loss, systematic methodologies in finding new plant-derived drugs are urgently needed. Medicinal uses of plants were proposed as proxy for b...... interpretation of medicinal plant uses may therefore allow for a more targeted approach for future phylogeny-guided drug discovery at an early screening stage, which will likely result in higher discovery rates of novel chemistry with functional biological activity.......The current decrease of new drugs brought to the market has fostered renewed interest in plant-based drug discovery. Given the alarming rate of biodiversity loss, systematic methodologies in finding new plant-derived drugs are urgently needed. Medicinal uses of plants were proposed as proxy...... for bioactivity, and phylogenetic patterns in medicinal plant uses have suggested that phylogeny can be used as predictive tool. However, the common practice of grouping medicinal plant uses into standardised categories may restrict the relevance of phylogenetic predictions. Standardised categories are mostly...

Geological exploration of Angola from Sumbe to Namibe: A review at the frontier between geology, natural resources and the history of geology

Science.gov (United States)

Masse, Pierre; Laurent, Olivier

2016-01-01

This paper provides a review of the Geological exploration of the Angola Coast (from Sumbe to Namibe) from pioneer's first geological descriptions and mining inventory to the most recent publications supported by the oil industry. We focus our attention on the following periods: 1875-1890 (Paul Choffat's work, mainly), 1910-1949 (first maps at country scale), 1949-1974 (detailed mapping of the Kwanza-Namibe coastal series), 1975-2000, with the editing of the last version of the Angola geological map at 1:1 million scale and the progressive completion of previous works. Since 2000, there is a renewal in geological fieldwork publications on the area mainly due to the work of university teams. This review paper thus stands at the frontier between geology, natural resources and the history of geology. It shows how geological knowledge has progressed in time, fueled by economic and scientific reasons.

Medical Biochemistry as Subdiscipline of Laboratory Medicine in Serbia.

Science.gov (United States)

Jovičić, Snežana; Majkić-Singh, Nada

2017-04-01

Medical biochemistry is the usual name for clinical biochemistry or clinical chemistry in Serbia, and medical biochemist is the official name for the clinical chemist (or clinical biochemist). This is the largest sub-discipline of the laboratory medicine in Serbia. It includes all aspects of clinical chemistry, and also laboratory hematology with coagulation, immunology, etc. Medical biochemistry laboratories in Serbia and medical biochemists as a profession are part of Health Care System and their activities are regulated through: the Health Care Law and rules issued by the Chamber of Medical Biochemists of Serbia. The first continuous and organized education for Medical Biochemists (Clinical Chemists) in Serbia dates from 1945, when the Department of Medical Biochemistry was established at the Pharmaceutical Faculty in Belgrade. In 1987 at the same Faculty a five years undergraduate study program was established, educating Medical Biochemists under a special program. Since the academic year 2006/2007 the new five year undergraduate (according to Bologna Declaration) and four-year postgraduate program according to EC4 European Syllabus for Postgraduate Training in Clinical Chemistry and Laboratory Medicine has been established. The Ministry of Education and Ministry of Public Health accredited these programs. There are four requirements for practicing medical biochemistry in the Health Care System: University Diploma of the Faculty of Pharmacy (Study of Medical Biochemistry), successful completion of the professional exam at the Ministry of Health after completion of one additional year of obligatory practical training in the medical biochemistry laboratories, membership in the Serbian Chamber of Medical Biochemists and licence for skilled work issued by the Serbian Chamber of Medical Biochemists. In order to present laboratory medical biochemistry practice in Serbia this paper will be focused on the following: Serbian national legislation, healthcare services

2012 RADIATION CHEMISTRY GORDON RESEARCH CONFERENCE AND GORDON RESEARCH SEMINAR, JULY 28, - AUGUST 3, 2012

Energy Technology Data Exchange (ETDEWEB)

y LaVerne

2012-08-03

The overarching objective of this conference is to catalyze the interchange of new ideas and recent discoveries within the basic radiation sciences of physics, chemistry, and biology, and to facilitate translating this knowledge to applications in medicine and industry. The 9 topics for the GRC are: "œFrom Energy Absorption to Disease", "œBiodosimetry after a Radiological Incident," "œTrack Structure and Low Energy Electrons," "Free Radical Processes in DNA and Proteins," "Irradiated Polymers for Industrial/ Medical Applications," "Space Radiation Chemistry/Biology," "Nuclear Power and Waste Management," "Nanoparticles and Surface Interfaces", and the "Young Investigator" session.

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...

Quantifying uncertainty of geological 3D layer models, constructed with a-priori geological expertise

NARCIS (Netherlands)

Gunnink, J.J.; Maljers, D.; Hummelman, J.

2010-01-01

Uncertainty quantification of geological models that are constructed with additional geological expert-knowledge is not straightforward. To construct sound geological 3D layer models we use a lot of additional knowledge, with an uncertainty that is hard to quantify. Examples of geological expert

Medicinal properties, phytochemistry and pharmacology of tribulus terrestris l. (zygophyllaceae)

International Nuclear Information System (INIS)

Hashim, S.; Bakht, T.

2014-01-01

Tribulus terrestris (puncture vine) belongs to family Zygophyllaceae and it is a herbaceous, mat forming plant in nature. It extensively grows in warm dry tropics all over the world and ecologically adaptated as a typical C4 xeromorphic plant. T. terrestris is a noxious weed along with its use in many countries as a folk medicine for different purposes from time immemorial. Ancient records describe various medicinal properties of T. terrestris as a popular source to cure variety of different disease conditions in China, India, and Greece. The plant is used directly as a herb or as a main component for production of a number of medicines and food supplements such as for physical rejuvenation, therapy for the conditions affecting liver, kidney, cardiovascular system and immune systems. Also it is used as a folk medicine for increased muscle strength, sexual potency and in treatments of urinary infections, heart diseases and cough. It is considered invigorating stimulant, aphrodisiac, and nutritive. This review discusses the most commonly recognized medicinal properties of this herb. The chemistry of T. terrestris extracts to establish the relationship between medicinal properties of this important plant will also be reviewed. (author)

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.

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....

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

Science.gov (United States)

Suay-Matallana, Ignacio

2016-07-01

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

U.S. Geological Survey Science at the Intersection of Health and Environment

Science.gov (United States)

Kimball, S. M.; Plumlee, G. S.

2016-12-01

People worldwide worry about how their environment affects their health, and expect scientists to help address these concerns. The OneHealth concept recognizes the crucial linkages between environment, human health, and health of other organisms. Many US Geological Survey science activities directly examine or help inform how the Earth and the environment influence toxicological and infectious diseases. Key is our ability to bring to bear a collective expertise in environmental processes, geology, hydrology, hazards, microbiology, analytical chemistry, ecosystems, energy/mineral resources, geospatial technologies, and other disciplines. Our science examines sources, environmental transport and fate, biological effects, and human exposure pathways of many microbial (e.g. bacteria, protozoans, viruses, fungi), inorganic (e.g. asbestos, arsenic, lead, mercury) and organic (e.g. algal toxins, pesticides, pharmaceuticals) contaminants from geologic, anthropogenic, and disaster sources. We develop new laboratory, experimental, and field methods to analyze, model, and map contaminants, to determine their baseline and natural background levels, and to measure their biological effects. We examine the origins, environmental persistence, wildlife effects, and potential for transmission to humans of pathogens that cause zoonotic or vector-borne diseases (e.g., avian influenza or West Nile virus). Collaborations with human health scientists from many organizations are essential. For example, our work with epidemiologists and toxicologists helps understand the exposure pathways and roles of geologically sourced toxicants such as arsenic (via drinking water) and asbestos (via dusts) in cancer. Work with pulmonologists and pathologists helps clarify the sources and fate of inhaled mineral particles in lungs. Wildlife health scientists help human health scientists assess animals as sentinels of human disease. Such transdisciplinary science is essential at the intersection of health

Forensic Chemistry

Science.gov (United States)

Bell, Suzanne

2009-07-01

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

Field Reconnaissance Geologic Mapping of the Columbia Hills, Mars: Results from MER Spirit and MRO HiRISE Observations

Science.gov (United States)

Crumpler, L.S.; Arvidson, R. E.; Squyres, S. W.; McCoy, T.; Yingst, A.; Ruff, S.; Farrand, W.; McSween, Y.; Powell, M.; Ming, D. W.; Morris, R.V.; Bell, J.F.; Grant, J.; Greeley, R.; DesMarais, D.; Schmidt, M.; Cabrol, N.A.; Haldemann, A.; Lewis, Kevin W.; Wang, A.E.; Schroder, C.; Blaney, D.; Cohen, B.; Yen, A.; Farmer, J.; Gellert, Ralf; Guinness, E.A.; Herkenhoff, K. E.; Johnson, J. R.; Klingelhofer, G.; McEwen, A.; Rice, J. W.; Rice, M.; deSouza, P.; Hurowitz, J.

2011-01-01

Chemical, mineralogic, and lithologic ground truth was acquired for the first time on Mars in terrain units mapped using orbital Mars Reconnaissance Orbiter's High Resolution Imaging Science Experiment (MRO HiRISE) image data. Examination of several dozen outcrops shows that Mars is geologically complex at meter length scales, the record of its geologic history is well exposed, stratigraphic units may be identified and correlated across significant areas on the ground, and outcrops and geologic relationships between materials may be analyzed with techniques commonly employed in terrestrial field geology. Despite their burial during the course of Martian geologic time by widespread epiclastic materials, mobile fines, and fall deposits, the selective exhumation of deep and well-preserved geologic units has exposed undisturbed outcrops, stratigraphic sections, and structural information much as they are preserved and exposed on Earth. A rich geologic record awaits skilled future field investigators on Mars. The correlation of ground observations and orbital images enables construction of a corresponding geologic reconnaissance map. Most of the outcrops visited are interpreted to be pyroclastic, impactite, and epiclastic deposits overlying an unexposed substrate, probably related to a modified Gusev crater central peak. Fluids have altered chemistry and mineralogy of these protoliths in degrees that vary substantially within the same map unit. Examination of the rocks exposed above and below the major unconformity between the plains lavas and the Columbia Hills directly confirms the general conclusion from remote sensing in previous studies over past years that the early history of Mars was a time of more intense deposition and modification of the surface. Although the availability of fluids and the chemical and mineral activity declined from this early period, significant later volcanism and fluid convection enabled additional, if localized, chemical activity.

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

International Nuclear Information System (INIS)

Ryan, R.R.

1981-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Ryan, R.R. (comp.)

1981-05-01

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

A nuclear chocolate box: the periodic table of nuclear medicine.

Science.gov (United States)

Blower, Philip J

2015-03-21

Radioisotopes of elements from all parts of the periodic table find both clinical and research applications in radionuclide molecular imaging and therapy (nuclear medicine). This article provides an overview of these applications in relation to both the radiological properties of the radionuclides and the chemical properties of the elements, indicating past successes, current applications and future opportunities and challenges for inorganic chemistry.

Genus Pouteria: chemistry and biological activity

Directory of Open Access Journals (Sweden)

Cíntia A. M. Silva

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

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.

On Calcium Carbonates: from Fundamental Research to Application

OpenAIRE

Brečević, Ljerka; Kralj, Damir

2007-01-01

Appearance of a solid phase from aqueous solution, known as precipitation, is responsible for the formation of numerous natural materials and technological products. Therefore, the knowledge on mechanisms of elementary processes involved in precipitation should be considered in the areas such as geology, oceanology, biomineralization, medicine, basic chemical and pharmaceutical industries, analytical and materials chemistry in particular. Calcium carbonates are a very suitable model system fo...

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.

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

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

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.

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...

Engineered barrier system and waste package design concepts for a potential geologic repository at Yucca Mountain

International Nuclear Information System (INIS)

Short, D.W.; Ruffner, D.J.; Jardine, L.J.

1991-10-01

We are using an iterative process to develop preliminary concept descriptions for the Engineered Barrier System and waste-package components for the potential geologic repository at Yucca Mountain. The process allows multiple design concepts to be developed subject to major constraints, requirements, and assumptions. Involved in the highly interactive and interdependent steps of the process are technical specialists in engineering, metallic and nonmetallic materials, chemistry, geomechanics, hydrology, and geochemistry. We have developed preliminary design concepts that satisfy both technical and nontechnical (e.g., programmatic or policy) requirements

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

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

Science.gov (United States)

Fournier, Josette

2006-01-01

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

Non-thermally activated chemistry

International Nuclear Information System (INIS)

Stiller, W.

1987-01-01

The subject is covered under the following headings: state-of-the art of non-thermally activated chemical processes; basic phenomena in non-thermal chemistry including mechanochemistry, photochemistry, laser chemistry, electrochemistry, photo-electro chemistry, high-field chemistry, magneto chemistry, plasma chemistry, radiation chemistry, hot-atom chemistry, and positronium and muonium chemistry; elementary processes in non-thermal chemistry including nuclear chemistry, interactions of electromagnetic radiations, electrons and heavy particles with matter, ionic elementary processes, elementary processes with excited species, radicalic elementary processes, and energy-induced elementary processes on surfaces and interfaces; and comparative considerations. An appendix with historical data and a subject index is given. 44 figs., 41 tabs., and 544 refs

History of geological disposal concept (3). Implementation phase of geological disposal (2000 upward)

International Nuclear Information System (INIS)

Masuda, Sumio; Sakuma, Hideki; Umeki, Hiroyuki

2015-01-01

Important standards and concept about geological disposal have been arranged as an international common base and are being generalized. The authors overview the concept of geological disposal, and would like this paper to help arouse broad discussions for promoting the implementation plan of geological disposal projects in the future. In recent years, the scientific and technological rationality of geological disposal has been recognized internationally. With the addition of discussions from social viewpoints such as ethics, economy, etc., geological disposal projects are in the stage of starting after establishment of social consensus. As an international common base, the following consolidated and systematized items have been presented as indispensable elements in promoting business projects: (1) step-by-step approach, (2) safety case, (3) reversibility and recovery potential, and (4) trust building and communications. This paper outlines the contents of the following cases, where international common base was reflected on the geological disposal projects in Japan: (1) final disposal method and safety regulations, and (2) impact of the Great East Japan Earthquake and Fukushima Daiichi Nuclear Power Station accident on geological disposal plan. (A.O.)

Conduct of Geologic Field Work During Planetary Exploration: Why Geology Matters

Science.gov (United States)

Eppler, Dean B.

2010-01-01

The science of field geology is the investigative process of determining the distribution of rock units and structures on a planet fs surface, and it is the first-order data set that informs all subsequent studies of a planet, such as geochemistry, geochronology, geophysics, or remote sensing. For future missions to the Moon and Mars, the surface systems deployed must support the conduct of field geology if these endeavors are to be scientifically useful. This lecture discussed what field geology is all about.why it is important, how it is done, how conducting field geology informs many other sciences, and how it affects the design of surface systems and the implementation of operations in the future.

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.

Acanthopanax senticosus: review of botany, chemistry and pharmacology.

Science.gov (United States)

Huang, Linzhang; Zhao, Hongfang; Huang, Baokang; Zheng, Chengjian; Peng, Wei; Qin, Luping

2011-02-01

Acanthopanax senticosus (Rupr. et Maxim) Harms (Araliaceae), also called Siberian Ginseng, Eleutherococcus senticosus, and Ciwujia in Chinese, is a widely used traditional Chinese herb that could invigorate qi, strengthen the spleen, and nourish kidney in the theory of Traditional Chinese Medicine. With high medicinal value, Acanthopanax senticosus (AS, thereafter) is popularly used as an "adaptogen" like Panax ginseng. In recent decades, a great number of chemical, pharmacological, and clinical studies on AS have been carried out worldwide. Several kinds of chemical compounds have been reported, including triterpenoid saponins, lignans, coumarins, and flavones, among which, phenolic compounds such as syringin and eleutheroside E, were considered to be the most active components. Considerable pharmacological experiments both in vitro and in vivo have persuasively demonstrated that AS possessed anti-stress, antiulcer, anti-irradiation, anticancer, anti-inflammatory and hepatoprotective activities, etc. The present review is an up-to-date and comprehensive analysis of the botany, chemistry, pharmacology, toxicity and clinical trials of AS.

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

Science.gov (United States)

McRae, Marc P

2010-01-01

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

Study on experimental models to analyze radionuclide migration behaviors through porous geologic media

International Nuclear Information System (INIS)

Tanaka, Tadao; Mukai, Masayuki

2012-08-01

The migration phenomenon of radionuclide through geological media such as soils and porous rocks, which is important in underground disposal of radioactive wastes, can be described by the advection-dispersion of groundwater and the interactions of radionuclide with geological media. On the other hand, to understand the migration phenomenon, actual migration data are experimentally acquired by a batch test, a column test and field trial. In the present study, experimental models about the interactions of radionuclide between the solid phase and the liquid phase were discussed systematically to interpret the migration data acquired by the various techniques and conditions. Equilibrium, reversibility, linearity, mechanism and chemistry in the interactions were considered in discussion of the experimental models. A calculation program, which can analyze migration data obtained under various conditions by applying the selected 9 types of experimental models, was maintained. The calculation program makes it be able to predict the migration behavior of radionuclide under various conditions and to decide the important parameter by a fitting analysis of the migration data. (author)

New Age of 3D Geological Modelling or Complexity is not an Issue Anymore

Science.gov (United States)

Mitrofanov, Aleksandr

2017-04-01

Geological model has a significant value in almost all types of researches related to regional mapping, geodynamics and especially to structural and resource geology of mineral deposits. Well-developed geological model must take into account all vital features of modelling object without over-simplification and also should adequately represent the interpretation of the geologist. In recent years with the gradual exhaustion deposits with relatively simple morphology geologists from all over the world are faced with the necessity of building the representative models for more and more structurally complex objects. Meanwhile, the amount of tools used for that has not significantly changed in the last two-three decades. The most widespread method of wireframe geological modelling now was developed in 1990s and is fully based on engineering design set of instruments (so-called CAD). Strings and polygons representing the section-based interpretation are being used as an intermediate step in the process of wireframes generation. Despite of significant time required for this type of modelling, it still can provide sufficient results for simple and medium-complexity geological objects. However, with the increasing complexity more and more vital features of the deposit are being sacrificed because of fundamental inability (or much greater time required for modelling) of CAD-based explicit techniques to develop the wireframes of the appropriate complexity. At the same time alternative technology which is not based on sectional approach and which uses the fundamentally different mathematical algorithms is being actively developed in the variety of other disciplines: medicine, advanced industrial design, game and cinema industry. In the recent years this implicit technology started to being developed for geological modelling purpose and nowadays it is represented by very powerful set of tools that has been integrated in almost all major commercial software packages. Implicit