NOUVELLES METHODES POUR LA MODELISATION DE STRUCTURES TRIDIMENSIONNELLES DE MOLECULES EN SOLUTION EN RELATION AVEC LES DONNEES DE LA RMN 2D PDF Download

Author: BERNARD.. STAWARZ
Publisher:
ISBN:
Category :
Languages : fr
Pages :

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LA RESONANCE MAGNETIQUE NUCLEAIRE (RMN) PERMET D'APPORTER UN GRAND D'INFORMATIONS SUR LA STRUCTURE MOLECULAIRE. LA RMN DU PROTON #1H PERMET D'ACCEDER AUX DISTANCES INTERPROTONS EN UTILISANT LES EFFETS OVERHAUSER OU NOE. CES NOE SONT UTILISES POUR MODELISER LES STRUCTURES MOLECULAIRES PAR MECANIQUE OU DYNAMIQUE MOLECULAIRE AVEC OU SANS CONTRAINTES. LES STRUCTURES OBTENUES SONT, EN GENERAL, RAFFINEES PAR DES METHODES DE CALCUL EN RETOUR QUI CONSISTENT A MINIMISER UNE FONCTION DU TYPE (A-A#0)#2 OU A#0 REPRESENTE LA VALEUR EXPERIMENTALE. CE TRAVAIL CONSISTE A DEVELOPPER UNE METHODE GLOBALE D'OPTIMISATION DE STRUCTURE UTILISANT DIRECTEMENT LES INTENSITES NOE. UN NOUVEAU POTENTIEL DE CONTRAINTE A ETE INTEGRE DANS UN PROGRAMME DE CALCUL APPELE MUNIC (MODELLING USING NOE INTENSITY CONSTRAINT) S'ARTICULANT AUTOUR DU LOGICIEL DE MODELISATION MOLECULAIRE GROMOS. CETTE NOUVELLE TECHNIQUE A ETE APPLIQUEE A L'ETUDE DE LA STRUCTURE TRIDIMENSIONNELLE DE LA STENDOMYCINE, LIPOPEPTIDE CYCLIQUE ANTIFONGIQUE. LES QUALITES DE CONVERGENCE DU POTENTIEL DE CONTRAINTE DEVELOPPE ONT ETE MONTREES. IL EST TOUT A FAIT ENVISAGEABLE DE CONDUIRE UNE SIMULATION DE DYNAMIQUE MOLECULAIRE AVEC CONTRAINTES D'INTENSITES NOE DANS LE BUT DE DECRIRE LA DYNAMIQUE INTERNE DES SYSTEMES BIOLOGIQUES

Author: Herbert Pöllmann
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110473720
Category : Science
Languages : en
Pages : 518

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Aside from water the materials which are used by mankind in highest quantities arecementitious materials and concrete. This book shows how the quality of the technical product depends on mineral phases and their reactions during the hydration and strengthening process. Additives and admixtures infl uence the course of hydration and the properties. Options of reducing the CO2-production in cementitious materials are presented and numerous examples of unhydrous and hydrous phases and their formation conditions are discussed. This editorial work consists of four parts including cement composition and hydration, Special cement and binder mineral phases, Cementitious and binder materials, and Measurement and properties. Every part contains different contributions and covers a broad range within the area. Contents Part I: Cement composition and hydration Diffraction and crystallography applied to anhydrous cements Diffraction and crystallography applied to hydrating cements Synthesis of highly reactive pure cement phases Thermodynamic modelling of cement hydration: Portland cements – blended cements – calcium sulfoaluminate cements Part II: Special cement and binder mineral phases Role of hydrotalcite-type layered double hydroxides in delayed pozzolanic reactions and their bearing on mortar dating Setting control of CAC by substituted acetic acids and crystal structures of their calcium salts Crystallography and crystal chemistry of AFm phases related to cement chemistry Part III: Cementitious and binder materials Chemistry, design and application of hybrid alkali activated binders Binding materials based on calcium sulphates Magnesia building material (Sorel cement) – from basics to application New CO2-reduced cementitious systems Composition and properties of ternary binders Part IV: Measurement and properties Characterization of microstructural properties of Portland cements by analytical scanning electron microscopy Correlating XRD data with technological properties No cement production without refractories

Author: Francisco Carrasco
Publisher: Springer Science & Business Media
ISBN: 3642124860
Category : Science
Languages : en
Pages : 519

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The Malaga Symposia Series provides an international forum for scientific debate on the progress made in research into karst environments. The 2010 meeting of the 4th International ISKA presents 80 papers in four key areas: karst hydrogeology and investigations, karst landscape and ecosystems, human interaction with karst environments, and engineering geology in karst areas. This book will be a useful edition to the libraries of consultants, scientists, lecturers, and policy makers concerned with the special issues of karst terrains.

Author: Jean Daillant
Publisher: Springer Science & Business Media
ISBN: 3540486968
Category : Science
Languages : en
Pages : 347

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The reflection of and neutrons from surfaces has existed as an x-rays exp- imental for almost it is in the last technique fifty Nevertheless, only years. decade that these methods have become as of enormously popular probes This the surfaces and interfaces. to be due to of several appears convergence of intense different circumstances. These include the more n- availability be measured orders tron and sources that can over (so reflectivity x-ray many of and the much weaker surface diffuse can now also be magnitude scattering of thin films and studied in some the detail); growing importance multil- basic the realization of the ers in both and technology research; important which in the of surfaces and and role roughness plays properties interfaces; the of statistical models to characterize the of finally development topology its and its characterization from on roughness, dependence growth processes The of and to surface scattering experiments. ability x-rays neutro4s study four five orders of in scale of surfaces over to magnitude length regardless their and also their to ability probe environment, temperature, pressure, etc. , makes these the choice for buried interfaces often probes preferred obtaining information about the microstructure of often in statistical a global surfaces, the local This is manner to complementary imaging microscopy techniques, of such studies in the literature witnessed the veritable by explosion published the last few Thus these lectures will useful for over a resource years.

Author: Luis Rivas
Publisher: Royal Society of Chemistry
ISBN: 1788012585
Category : Science
Languages : en
Pages : 422

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For human health, leishmaniasis is among the most important protozoan diseases, superseded only by malaria. Globally, 10 to 12 million people are infected with 1.5 million new cases every year. The development of cheaper new drugs is urgently needed for this neglected disease that is developing resistance to current treatments. Chemotherapy remains the only treatment option for the bulk of patients. However, this is largely unaffordable for most. In the past three years numerous advances in drug discovery have been made for treating this disease by exploiting diverging metabolic pathways between the Leishmania enzymes and their hosts, using nanotechnology to target the immune cell phagolysosomes where Leishmania resides. Drug Discovery for Leishmaniasis aims to provide a perspective of the current treatments and their challenges, blended with the emerging strategies and methodologies that will drive new target appraisals and drug developments, as well as addressing the molecular basis of resistance in Leishmania. Recent studies have shown that leishmaniasis affects some of the poorest people in the world, with 95% of fatal cases occurring in only 6 countries. With the WHO goal of eliminating this public health problem in the South-east Asia Region by 2020, this book will be important for anyone who is interested in neglected tropical diseases.

Author: Michael Locke
Publisher: Elsevier
ISBN: 0323151132
Category : Science
Languages : en
Pages : 421

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Major Problems in Developmental Biology contains the proceedings of the 25th Symposium of the Society for Developmental Biology, held in Haverford, Pennsylvania, in June 1966. The papers explore some of the major problems in developmental biology, particularly those relating to cell differentiation, movements, and death; patterning; and intercellular regulation in plants. Organized into 11 chapters, this book begins with an overview of the growth and development of developmental biology as a scientific discipline, with emphasis on the role of the Society for Developmental Biology, and in particular its symposia, in the emergence of the field. The book then discusses the intra- and extracellular factors impinging upon the nucleus and regulating cell differentiation. Some chapters focus on the dynamics of determination in cell systems of insects, morphogenetic movements of animal cells, and patterns at the cell and tissue levels. The reader is also introduced to the correlations between protein structure and function in relation to cell dynamics and differentiation, along with the physiological, biochemical, and molecular biological aspects of intercellular regulation in plants and the role of cell surface in carcinogenesis. The book concludes by suggesting directions for research into the ontogeny of behavior. This book is a valuable source of information for developmental biologists.

Author: Véronique Stoven
Publisher:
ISBN:
Category :
Languages : fr
Pages : 244

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De nouvelles techniques de traitement des spectres de Résonance Magnétique Nucléaire à deux dimensions (RMN-2D) sont présentées, en vue d’aider à la reconstitution de la structure tridimensionnelle des molécules. L’expérience de NOESY-2D étant l’expérience clef dans la détermination des conformations, les problèmes posés par l’interprétation quantitative de l’Effet Nucléaire Overhauser (NOE), sont présentées en détail. Une méthode est proposée pour la détection et l’intégration automatique des pics dans les cartes de RMN-2D. Elle est utilisée dans la détermination de distances internucléaires à partir des cartes NOE, y compris en cas de présence de cohérences zéro-quanta. Les principes de la confrontation entre les données RMN, et celles de méthode de calculs théoriques de conformations, sont exposés. Un exemple d’application est donné par la détermination de la géométrie d’un oligo-nucléotide platiné. Cet exemple constitue un modèle dans l’étude de l’interaction entre l’ADN et une drogue antitumorale : le cisdiamine-dichloro-platine (II). Par ailleurs, l’auteur propose un algorithme de phasage automatique, et une méthode de déconvolution dans le cadre général de la reconstruction inverse des spectres par Maximum Entropie. Ces techniques devraient aider le spectroscopiste dans le traitement et l’interprétation de spectres complexes de macro-molécules.

Author: D.N. Rutledge
Publisher: Elsevier
ISBN: 0080541208
Category : Science
Languages : en
Pages : 567

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Signal analysis and signal treatment are integral parts of all types of Nuclear Magnetic Resonance. In the last ten years, much has been achieved in the development of dimensional spectra. At the same time new NMR techniques such as NMR Imaging and multidimensional spectroscopy have appeared, requiring entirely new methods of signal analysis. Up until now, most NMR texts and reference books limited their presentation of signal processing to a short introduction to the principles of the Fourier Transform, signal convolution, apodisation and noise reduction. To understand the mathematics of the newer signal processing techniques, it was necessary to go back to the primary references in NMR, chemometrics and mathematics journals. The objective of this book is to fill this void by presenting, in a single volume, both the theory and applications of most of these new techniques to Time-Domain, Frequency-Domain and Space-Domain NMR signals. Details are provided on many of the algorithms used and a companion CD-ROM is also included which contains some of the computer programs, either as source code or in executable form. Although it is aimed primarily at NMR users in the medical, industrial and academic fields, it should also interest chemometricians and programmers working with other techniques.

Author: Jean-Baptiste Say
Publisher: Taylor & Francis
ISBN: 1317912292
Category : Business & Economics
Languages : en
Pages : 290

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Jean-Baptiste Say (1767–1832) was one of the first great economists to have laid down the foundations of economic science. Author of the famous Treatise on Political Economy in 1803, which was revised and re-edited on several occasions, he published numerous other works including a voluminous Complete Course in Practical Political Economy in 1828–9. He also taught political economy successively from 1815 until his death in three Parisian establishments: the Athénée, the Conservatory of Arts and Trades, and the Collège de France. The texts in which Say exposes his approach to political economy have not been available in the English language until now except for the fourth edition of the ‘Preliminary Discourse’ which serves as an introduction to the Treatise. This book presents a translation which renders his works accessible to the English speaking world. For the first time, English readers will be able to become directly immersed in Say’s principal texts, where he develops his conception of political economy. Jean-Baptiste Say and Political Economy proposes a translation of a selection of eleven of Say’s texts. The first three are versions of the ‘Preliminary Discourse’ from the Treatise’s editions of 1803, 1814 and 1826 with the variations of the editions of 1817, 1819 and 1841. The following four texts are the opening discourses pronounced at the Conservatory in 1820 and 1828 and the Collège de France in 1831 and 1832. The eighth text is the ‘General Considerations’ which open the Complete Course in Practical Political Economy of 1828, with the variations of the 1840 re-edition. The final three texts are those Say devotes to ‘the progress of political economy’ in what is akin to a history of economic thought. This volume is of great importance to economic historians and people studying Jean-Baptiste Say, as well as those who are interested in economic theory and philosophy and political economy.

Author: Mária Németh Lenke
Publisher:
ISBN:
Category : American drama
Languages : en
Pages : 164

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