Practical Interpretation Of P 31 Nmr Spectra And Computer Assisted Structure Verification

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Phosphorus-31 NMR Spectroscopy

Author : Olaf Kühl
Publisher : Springer Science & Business Media
Page : 138 pages
File Size : 47,8 Mb
Release : 2008-08-22
Category : Science
ISBN : 9783540791188

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Phosphorus-31 NMR Spectroscopy by Olaf Kühl Pdf

Nuclear Magnetic Resonance is a powerful tool, especially for the identification of 1 13 hitherto unknown organic compounds. H- and C-NMR spectroscopy is known and applied by virtually every synthetically working Organic Chemist. Con- quently, the factors governing the differences in chemical shift values, based on chemical environment, bonding, temperature, solvent, pH, etc. , are well understood, and specialty methods developed for almost every conceivable structural challenge. Proton and carbon NMR spectroscopy is part of most bachelors degree courses, with advanced methods integrated into masters degree and other graduate courses. In view of this universal knowledge about proton and carbon NMR spectr- copy within the chemical community, it is remarkable that heteronuclear NMR is still looked upon as something of a curiosity. Admittedly, most organic compounds contain only nitrogen, oxygen, and sulfur atoms, as well as the obligatory hydrogen and carbon atoms, elements that have an unfavourable isotope distribution when it comes to NMR spectroscopy. Each of these three elements has a dominant isotope: 14 16 32 16 32 N (99. 63% natural abundance), O (99. 76%), and S (95. 02%), with O, S, and 34 14 S (4. 21%) NMR silent. N has a nuclear moment I = 1 and a sizeable quadrupolar moment that makes the NMR signals usually very broad and dif cult to analyse.

Organophosphorus Chemistry

Author : Viktor Iaroshenko
Publisher : John Wiley & Sons
Page : 224 pages
File Size : 53,8 Mb
Release : 2019-01-07
Category : Science
ISBN : 9783527672257

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Organophosphorus Chemistry by Viktor Iaroshenko Pdf

Filling the gap for an up-to-date reference that presents the field of organophosphorus chemistry in a comprehensive and clearly structured way, this one-stop source covers the chemistry, properties, and applications from life science and medicine. Divided into two parts, the first presents the chemistry of various phosphorus-containing compounds and their synthesis, including ylides, acids, and heterocycles. The second part then goes on to look at applications in life science and bioorganic chemistry. Last but not least, such important practical aspects as 31P-NMR and protecting strategies for these compounds are presented. For organic, bioinorganic, and medicinal chemists, as well as those working on organometallics, and for materials scientists. The book, a contributed work, features a team of renowned scientists from around the world whose expertise spans the many aspects of modern organophosphorus chemistry.

Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation

Author : Mikhail E Elyashberg,Antony Williams,Kirill Blinov
Publisher : Royal Society of Chemistry
Page : 504 pages
File Size : 54,6 Mb
Release : 2015-11-09
Category : Science
ISBN : 9781782625766

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Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation by Mikhail E Elyashberg,Antony Williams,Kirill Blinov Pdf

Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve the reliability of the results. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation describes the principles on which these expert systems for spectroscopic structure elucidation are based and concisely explains the algorithmic concepts behind the programs. The authors use their own personal experiences in the development of the Structure Elucidator (StrucEluc) CASE software system to discuss the present state-of-the-art in computer-assisted structure elucidation. Scientists that are presently using CASE systems will be interested in the algorithms and modern approaches and for organizations that are currently using the StrucEluc platform the book is designed to help researchers understand the strategies behind CASE as well as details regarding the StrucEluc platform. For scientists that have never used CASE systems they will now have access to all necessary information to understand CASE systems for mastering this new and very effective approach to structure elucidation. The authors overall goal is writing this book is to produce the 'must read' definitive text that will represent the results of decades of work to develop computer-assisted structure elucidation software systems. CASE systems are now powerful software tools commonly outperforming and correcting human interpretations of data. This book will also provide an historical perspective of the work of the founding fathers of the technique and identify the challenges that have been overcome to produce modern CASE systems.

Soft Nanoparticles for Biomedical Applications

Author : José Callejas-Fernández,Joan Estelrich,Manuel Quesada-Pérez,Jacqueline Forcada
Publisher : Royal Society of Chemistry
Page : 410 pages
File Size : 43,8 Mb
Release : 2014-06-18
Category : Science
ISBN : 9781782625216

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Soft Nanoparticles for Biomedical Applications by José Callejas-Fernández,Joan Estelrich,Manuel Quesada-Pérez,Jacqueline Forcada Pdf

Nanoparticles are attractive for many biomedical applications such as imaging, therapeutics and diagnostics. This new book looks at different soft nanoparticles and their current and potential uses in medicine and health including magnetoliposomes, micro/nanogels, polymeric micelles, DNA particles, dendrimers and bicelles. Each chapter provides a description of the synthesis of the particles and focus on the techniques used to characterize the size, shape, surface charge, internal structure, and surface microstructure of the nanoparticles together with modeling and simulation methods. By giving a strong physical-chemical approach to the topic, readers will gain a good background into the subject and an overview of recent developments. The multidisciplinary point of view makes the book suitable for postgraduate students and researchers in physics, chemistry, and biology interested in soft matter and its uses.

Organophosphorus Chemistry

Author : David W. Allen,John C. Tebby
Publisher : Royal Society of Chemistry
Page : 576 pages
File Size : 55,7 Mb
Release : 2006
Category : Reference
ISBN : 9780854043491

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Organophosphorus Chemistry by David W. Allen,John C. Tebby Pdf

A concise but comprehensive annual survey of a vast field of study enabling the reader to rapidly keep abreast of the latest developments in this specialist area.

Organophosphorus Chemistry

Author : Viktor Iaroshenko
Publisher : John Wiley & Sons
Page : 586 pages
File Size : 43,7 Mb
Release : 2019-04-22
Category : Science
ISBN : 9783527335725

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Organophosphorus Chemistry by Viktor Iaroshenko Pdf

Filling the gap for an up-to-date reference that presents the field of organophosphorus chemistry in a comprehensive and clearly structured way, this one-stop source covers the chemistry, properties, and applications from life science and medicine. Divided into two parts, the first presents the chemistry of various phosphorus-containing compounds and their synthesis, including ylides, acids, and heterocycles. The second part then goes on to look at applications in life science and bioorganic chemistry. Last but not least, such important practical aspects as 31P-NMR and protecting strategies for these compounds are presented. For organic, bioinorganic, and medicinal chemists, as well as those working on organometallics, and for materials scientists. The book, a contributed work, features a team of renowned scientists from around the world whose expertise spans the many aspects of modern organophosphorus chemistry.

Chemical Information and Computation

Author : Anonim
Publisher : Unknown
Page : 312 pages
File Size : 52,8 Mb
Release : 2005
Category : Chemistry
ISBN : STANFORD:36105115196995

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Chemical Information and Computation by Anonim Pdf

Nuclear Magnetic Resonance Volume 47

Author : Paul Hodgkinson
Publisher : Royal Society of Chemistry
Page : 299 pages
File Size : 54,7 Mb
Release : 2021-11-29
Category : Science
ISBN : 9781839163913

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Nuclear Magnetic Resonance Volume 47 by Paul Hodgkinson Pdf

Applications of nuclear magnetic resonance span a wide range of scientific disciplines, from physics to medicine. For those wanting to become acquainted with NMR or seasoned practitioners, this is a valuable source of current methods and applications.

Tables of Spectral Data for Structure Determination of Organic Compounds

Author : Ernö Pretsch,T. Clerc,J. Seibl,W. Simon
Publisher : Springer Science & Business Media
Page : 325 pages
File Size : 49,7 Mb
Release : 2013-06-29
Category : Science
ISBN : 9783662224557

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Tables of Spectral Data for Structure Determination of Organic Compounds by Ernö Pretsch,T. Clerc,J. Seibl,W. Simon Pdf

Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.

Experimental Approaches of NMR Spectroscopy

Author : The Nuclear Magnetic Resonance Society of Japan
Publisher : Springer
Page : 636 pages
File Size : 46,7 Mb
Release : 2017-11-23
Category : Science
ISBN : 9789811059667

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Experimental Approaches of NMR Spectroscopy by The Nuclear Magnetic Resonance Society of Japan Pdf

This book describes the advanced developments in methodology and applications of NMR spectroscopy to life science and materials science. Experts who are leaders in the development of new methods and applications of life and material sciences have contributed an exciting range of topics that cover recent advances in structural determination of biological and material molecules, dynamic aspects of biological and material molecules, and development of novel NMR techniques, including resolution and sensitivity enhancement. First, this book particularly emphasizes the experimental details for new researchers to use NMR spectroscopy and pick up the potentials of NMR spectroscopy. Second, the book is designed for those who are involved in either developing the technique or expanding the NMR application fields by applying them to specific samples. Third, the Nuclear Magnetic Resonance Society of Japan has organized this book not only for NMR members of Japan but also for readers worldwide who are interested in using NMR spectroscopy extensively.

Problems and Problem Solving in Chemistry Education

Author : Georgios Tsaparlis
Publisher : Royal Society of Chemistry
Page : 503 pages
File Size : 46,5 Mb
Release : 2021-05-17
Category : Education
ISBN : 9781839163593

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Problems and Problem Solving in Chemistry Education by Georgios Tsaparlis Pdf

Problem solving is central to the teaching and learning of chemistry at secondary, tertiary and post-tertiary levels of education, opening to students and professional chemists alike a whole new world for analysing data, looking for patterns and making deductions. As an important higher-order thinking skill, problem solving also constitutes a major research field in science education. Relevant education research is an ongoing process, with recent developments occurring not only in the area of quantitative/computational problems, but also in qualitative problem solving. The following situations are considered, some general, others with a focus on specific areas of chemistry: quantitative problems, qualitative reasoning, metacognition and resource activation, deconstructing the problem-solving process, an overview of the working memory hypothesis, reasoning with the electron-pushing formalism, scaffolding organic synthesis skills, spectroscopy for structural characterization in organic chemistry, enzyme kinetics, problem solving in the academic chemistry laboratory, chemistry problem-solving in context, team-based/active learning, technology for molecular representations, IR spectra simulation, and computational quantum chemistry tools. The book concludes with methodological and epistemological issues in problem solving research and other perspectives in problem solving in chemistry. With a foreword by George Bodner.

Biological NMR Spectroscopy

Author : John L. Markley,Stanley J. Opella
Publisher : Oxford University Press
Page : 375 pages
File Size : 54,9 Mb
Release : 1997-01-30
Category : Science
ISBN : 9780195357424

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Biological NMR Spectroscopy by John L. Markley,Stanley J. Opella Pdf

This book presents a critical assessment of progress on the use of nuclear magnetic resonance spectroscopy to determine the structure of proteins, including brief reviews of the history of the field along with coverage of current clinical and in vivo applications. The book, in honor of Oleg Jardetsky, one of the pioneers of the field, is edited by two of the most highly respected investigators using NMR, and features contributions by most of the leading workers in the field. It will be valued as a landmark publication that presents the state-of-the-art perspectives regarding one of today's most important technologies.

NMR Spectroscopy in Food Analysis

Author : Apostolos Spyros,Photis Dais
Publisher : Royal Society of Chemistry
Page : 128 pages
File Size : 41,5 Mb
Release : 2015-10-20
Category : Technology & Engineering
ISBN : 9781782625667

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NMR Spectroscopy in Food Analysis by Apostolos Spyros,Photis Dais Pdf

During the last two decades, the use of NMR spectroscopy for the characterization and analysis of food materials has flourished, and this trend continues to increase today. Currently, there exists no book that fulfils specifically the needs of food scientists that are interested in adding or expanding the use of NMR spectroscopy in their arsenal of food analysis techniques. Current books and monographs are rather addressed to experienced researchers in food analysis providing new information in the field. This book, written by acknowledged experts in the field, fills the gap by offering a day to day NMR guide for the food scientist, affording not only the basic theoretical aspects of NMR spectroscopy, but also practical information on sample preparation, experimental conditions and data analysis. Current developments in the field covered in this book are the availability of solid state NMR experiments such as CP/MAS and more importantly HR-MAS NMR for the analysis of semisolid foods, and the increasing use of chemometrics to analyze NMR data in food metabonomics. Moreover, this book contains an up to date discussion of MRI in food analysis including topics such as food processing and natural changes in food such as ripening. The book is a compact and complete source of information for food scientists who wish to apply methodologies based on NMR spectroscopy in food analysis. It contains information so far scattered in the primary literature, in NMR treatises and food analysis books, in a concise format that makes it appealing to food scientists who have no or minimal experience in magnetic resonance techniques. The inclusion of practical information about NMR instrumentation, experiment setup, acquisition and spectral analysis for the study of different food categories make this book a hands-on manual for food scientists wishing to implement novel NMR spectroscopy-based analytical techniques in their field.