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Author : Michael Nelson Weaver
Publisher :
ISBN 13 :
Total Pages : 312 pages
Book Rating : 4.:/5 (89 download)
Download or read book Computational Elucidation of Optical Spectra written by Michael Nelson Weaver and published by . This book was released on 2006 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Jörg Grunenberg
Publisher : John Wiley & Sons
ISBN 13 : 3527643621
Total Pages : 421 pages
Book Rating : 4.5/5 (276 download)
Download or read book Computational Spectroscopy written by Jörg Grunenberg and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and handbook compiles the developments made over the last few years, from single molecule studies to the simulation of clusters and the solid state, from organic molecules to complex inorganic systems and from basic research to commercial applications in the area of environment relevance. In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state. With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.
Author : Mikhail E Elyashberg
Publisher : Royal Society of Chemistry
ISBN 13 : 1782625763
Total Pages : 505 pages
Book Rating : 4.7/5 (826 download)
Download or read book Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation written by Mikhail E Elyashberg and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 505 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Maria-Magdalena Cid
Publisher : John Wiley & Sons
ISBN 13 : 3527664637
Total Pages : 554 pages
Book Rating : 4.5/5 (276 download)
Download or read book Structure Elucidation in Organic Chemistry written by Maria-Magdalena Cid and published by John Wiley & Sons. This book was released on 2015-01-05 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. Adopting a practical point of view, the author team from academia and industry guarantees both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem.
Author : Thomas Schönherr
Publisher : Springer
ISBN 13 : 3540365710
Total Pages : 329 pages
Book Rating : 4.5/5 (43 download)
Download or read book Optical Spectra and Chemical Bonding in Transition Metal Complexes written by Thomas Schönherr and published by Springer. This book was released on 2004-08-19 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Axel Christian Klixbüll Jørgensen was a “Polyhistor”,one of the very few in the highly specialized science of our time.His interests and contributions in ch- istry covered the whole Periodic Table.This statement demonstrates the breadth of his interests,however,it also sheds light on the constraints of chemistry which deals with a large, yet limited number of elements. It is not surprising that Jørgensen went beyond these limits,exploring the probable or plausible ch- istry of yet unknown elements and elementary particles such as quarks. Even chemistry itself did not place rigid limits on his mind,he was able to transfer his chemical concepts to scientific problems far beyond the normal such as in astrophysics. “Structure and Bonding” is intimately associated with the name C.K. J- gensen both as initiator and author over several decades.The appearance of a special edition in memory of this great scientist is a self-evident prolongation of his many contributions to the success of this series.
Author : Satyajit Dey Sarker
Publisher : Elsevier
ISBN 13 : 0443161038
Total Pages : 532 pages
Book Rating : 4.4/5 (431 download)
Download or read book Computational Phytochemistry written by Satyajit Dey Sarker and published by Elsevier. This book was released on 2024-03-06 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals. - Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research - Features clearly illustrated chapters contributed by highly reputable researchers - Covers all key areas in phytochemical research, including virtual screening and metabolomics
Author : Quezia Bezerra Cass
Publisher : John Wiley & Sons
ISBN 13 : 1119802261
Total Pages : 644 pages
Book Rating : 4.1/5 (198 download)
Download or read book Chiral Separations and Stereochemical Elucidation written by Quezia Bezerra Cass and published by John Wiley & Sons. This book was released on 2023-03-29 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt: An expert resource for chemists using stereochemical analysis methods In Chiral Separations and Stereochemical Elucidation: Fundamentals, Methods, and Applications, a team of distinguished researchers delivers a robust and authoritative discussion of the theoretical fundamentals of chiral separation, the most commonly used chiral selectors, and stereochemical elucidation methods. The book offers expert discussions of a variety of chiral separation methods by gas chromatography (GC), supercritical fluid chromatography (SFC), capillary electrophoresis (CE), and liquid chromatography (LC). The authors also describe several methods for stereochemical elucidation, including X-ray crystallography, nuclear magnetic resonance spectroscopy, and chiroptical methods. The explored material is ideal for practicing chemists seeking a resource to help them guide method development and optimization or to explain quality control-complements during target compound production. Readers will also find: A thorough introduction to the most important advances and applications in LC, GC, CE, SFC, and preparative chromatography Comprehensive explorations of the role of 2D-LC for chiral separation methods development and applications Practical discussions of the design, mechanisms, and applications of the most commonly used chiral selectors Fulsome treatments of the theoretical backgrounds, advantages, limitations, and applications of stereochemical elucidation methods Perfect for academic and industrial chemists specially in organic, analytical chemistry and pharmaceutical analysis. Chiral Separations and Stereochemical Elucidation: Fundamentals, Methods, and Applications will also benefit biochemists, environmental analysts, forensic and medicinal chemists as well as natural product chemists and those involved with stereochemistry or structural elucidation.
Author : Laurence A. Nafie
Publisher : John Wiley & Sons
ISBN 13 : 1119977533
Total Pages : 373 pages
Book Rating : 4.1/5 (199 download)
Download or read book Vibrational Optical Activity written by Laurence A. Nafie and published by John Wiley & Sons. This book was released on 2011-07-12 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features: A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy. Serves as a guide on how to use it to carry out applications with relevant problem solving. Depth and breadth of the subject is presented in a logical, complete and progressive fashion. Although intended as an introductory text, this book provides in depth coverage of this topic relevant to both students and professionals by taking the reader from basic theory through to practical and instrumental approaches.
Author : Nina Berova
Publisher : John Wiley & Sons
ISBN 13 : 1118120175
Total Pages : 797 pages
Book Rating : 4.1/5 (181 download)
Download or read book Comprehensive Chiroptical Spectroscopy, Volume 1 written by Nina Berova and published by John Wiley & Sons. This book was released on 2011-12-14 with total page 797 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to the important methods of chiroptical spectroscopy in general, and circular dichroism (CD) in particular, which are increasingly important in all areas of chemistry, biochemistry, and structural biology. The book can be used as a text for undergraduate and graduate students and as a reference for researchers in academia and industry, with or without the companion volume in this set. Experimental methods and instrumentation are described with topics ranging from the most widely used methods (electronic and vibrational CD) to frontier areas such as nonlinear spectroscopy and photoelectron CD, as well as the theory of chiroptical methods and techniques for simulating chiroptical properties. Each chapter is written by one or more leading authorities with extensive experience in the field.
Author : H. Baharvand
Publisher : John Wiley & Sons
ISBN 13 : 1118540611
Total Pages : 438 pages
Book Rating : 4.1/5 (185 download)
Download or read book Stem-Cell Nanoengineering written by H. Baharvand and published by John Wiley & Sons. This book was released on 2015-03-30 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: Stem Cell Nanoengineering reviews the applications of nanotechnology in the fields of stem cells, tissue engineering, and regenerative medicine. Topics addressed include various types of stem cells, underlying principles of nanobiotechnology, the making of nano-scaffolds, nano tissue engineering, applications of nanotechnology in stem cell tracking and molecular imaging, nano-devices, as well as stem cell nano-engineering from bench to bedside. Written by renowned experts in their respective fields, chapters describe and explore a wide variety of topics in stem cell nanoengineering, making the book a valuable resource for both researchers and clinicians in biomedical and bioengineering fields.
Author : Prasad L. Polavarapu
Publisher : CRC Press
ISBN 13 : 1315357194
Total Pages : 298 pages
Book Rating : 4.3/5 (153 download)
Download or read book Chiroptical Spectroscopy written by Prasad L. Polavarapu and published by CRC Press. This book was released on 2016-10-03 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book details chiroptical spectroscopic methods: electronic circular dichroism (ECD), optical rotatory dispersion (ORD), vibrational circular dichroism (VCD), and vibrational Raman optical activity (VROA). For each technique, the text presents experimental methods for measurements and theoretical methods for analyzing the experimental data. It also includes a set of experiments that can be adopted for undergraduate teaching laboratories. Each chapter is written in an easy-to-follow format for novice readers, with necessary theoretical formalism in appendices for advanced readers.
Author : Fidele Ntie-Kang
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110579359
Total Pages : 480 pages
Book Rating : 4.1/5 (15 download)
Download or read book Fundamental Concepts written by Fidele Ntie-Kang and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-02-24 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vol. 1 of Chemoinformatics of Natural Products presents an overview of natural products chemistry, discussing the chemical space of naturally occurring compounds, followed by an overview of computational methods.
Author : Antony Williams
Publisher : Royal Society of Chemistry
ISBN 13 : 1849733937
Total Pages : 532 pages
Book Rating : 4.8/5 (497 download)
Download or read book Modern NMR Approaches to the Structure Elucidation of Natural Products written by Antony Williams and published by Royal Society of Chemistry. This book was released on 2016-12-14 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Ghanian plant Cryptolepis sanguinolenta is the source of a series of fascinating indoloquinoline alkaloids. The most unusual member of this alkaloid series was initially proposed to be a spiro nonacyclic structure, named cryptospirolepine, and was elucidated in 1993 based on the technologies available at that time. There were, however, several annoying attributes to the structure that bothered analysts for the ensuing 22 years. During the two decades that followed the initial work there have been enormous developments in NMR technology. Using new experimental approaches, specifically homodecoupled 1,1- and 1,n-HD-ADEQUATE NMR experiments developed in 2014, the structure of only a 700 µg sample of cryptospirolepine has been revised and is shown on the cover of this volume. The confluence of the NMR technological and methodological advances that allowed the revision of the structure of cryptospirolepine using a submilligram sample seems a fitting example for this book, which is dedicated to the NMR characterization of various classes of natural products. Volume 2 considers data processing and algorithmic based analyses tailored to natural product structure elucidation and reviews the application of NMR to the analysis of a series of different natural product families including marine natural products, terpenes, steroids, alkaloids and carbohydrates. Volume 1 discusses contemporary NMR approaches including optimized and future hardware and experimental approaches to obtain both the highest quality and most appropriate spectral data for analysis. These books, bringing together acknowledged experts, uniquely focus on the combination of experimental approaches and modern hardware and software applied to the structure elucidation of natural products. The volumes will be an essential resource for NMR spectroscopists, natural product chemists and industrial researchers working on natural product analysis or the characterization of impurities and degradation products of pharmaceuticals that can be as scarce as natural product samples.
Author : Vinod Singh
Publisher : Springer Nature
ISBN 13 : 9811676917
Total Pages : 657 pages
Book Rating : 4.8/5 (116 download)
Download or read book Proceedings of the International Conference on Atomic, Molecular, Optical & Nano Physics with Applications written by Vinod Singh and published by Springer Nature. This book was released on 2022-03-14 with total page 657 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the proceedings of the International Conference on Atomic, Molecular, Optical and Nano-Physics with Applications (CAMNP 2019), organized by the Department of Applied Physics, Delhi Technological University, New Delhi, India. It presents experimental and theoretical studies of atoms, ions, molecules and nanostructures both at the fundamental level and on the application side using advanced technology. It highlights how modern tools of high-field and ultra-fast physics are no longer merely used to observe nature but can be used to reshape and redirect atoms, molecules, particles or radiation. It brings together leading researchers and professionals on the field to present and discuss the latest finding in the following areas, but not limited to: Atomic and Molecular Structure, Collision Processes, Data Production and Applications Spectroscopy of Solar and Stellar Plasma Intense Field, Short Pulse Laser and Atto-Second Physics Laser Technology, Quantum Optics and applications Bose Einstein condensation Nanomaterials and Nanoscience Nanobiotechnolgy and Nanophotonics Nano and Micro-Electronics Computational Condensed Matter Physics
Author : A. Douglas Kinghorn
Publisher : Springer Nature
ISBN 13 : 3030805603
Total Pages : 265 pages
Book Rating : 4.0/5 (38 download)
Download or read book Progress in the Chemistry of Organic Natural Products 116 written by A. Douglas Kinghorn and published by Springer Nature. This book was released on 2021-10-26 with total page 265 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume describes several highly diverse subjects: Chapter 1 explores marine biodiscovery of the North-eastern Atlantic off the coast of Ireland as a model for best practice in research. The second chapter investigates Brazilian Chemical Ecology and examples of insect-plant communication studies that are mediated by natural products demonstrate the beautiful interconnectedness of species in a biome. Our third chapter comprises the advances in the science of the sesquiterpene quinone, perezone, which in 1852 was the first natural product isolated in crystalline form in the New World. The last two chapters are from a Vietnamese group and the first of these follows the phytochemistry, pharmacology, and ethnomedical uses of the genus Xanthium, which produces interesting sulfur and nitrogen containing natural products. Finally, the genus Desmos is discussed, where an overview of its constituent natural products and their in vitro pharmacological potential is described.
Author : Bojidarka Ivanova
Publisher : CRC Press
ISBN 13 : 1439825599
Total Pages : 243 pages
Book Rating : 4.4/5 (398 download)
Download or read book Linearly Polarized IR Spectroscopy written by Bojidarka Ivanova and published by CRC Press. This book was released on 2011-10-24 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds. The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscopy and then moves on to examine the background of the orientation method of colloid suspensions in a nematic host. It explores the orientation procedure itself, experimental design, and mathematical tools for the interpretation of the IR spectroscopic patterns. Next, the authors describe the structural elucidation of inorganic and organic compounds and glasses. Finally, they discuss applications in pharmaceutical analysis and the chemistry of dyes. Filled with more than 140 illustrations along with a color insert, the book explains both the scope of the polarized IR spectroscopy method as well as its limitations. A powerful source of information not only for specialists in IR spectroscopy, but also for those working in the field of structural analysis, this volume moves the field closer to developing an inherently classical method for the structural characterization of compounds.
Author : Vasyl Andrushko
Publisher : John Wiley & Sons
ISBN 13 : 1118628330
Total Pages : 1836 pages
Book Rating : 4.1/5 (186 download)
Download or read book Stereoselective Synthesis of Drugs and Natural Products written by Vasyl Andrushko and published by John Wiley & Sons. This book was released on 2013-08-16 with total page 1836 pages. Available in PDF, EPUB and Kindle. Book excerpt: Brings together the best tested and proven stereoselective synthetic methods Both the chemical and pharmaceutical industries are increasingly dependent on stereoselective synthetic methods and strategies for the generation of new chiral drugs and natural products that offer specific 3-D structures. With the publication of Stereoselective Synthesis of Drugs and Natural Products, researchers can turn to this comprehensive two-volume work to guide them through all the core methods for the synthesis of chiral drugs and natural products. Stereoselective Synthesis of Drugs and Natural Products features contributions from an international team of synthetic chemists and pharmaceutical and natural product researchers. These authors have reviewed the tremendous body of literature in the field in order to compile a set of reliable, tested, and proven methods alongside step-by-step guidance. This practical resource not only explores synthetic methodology, but also reaction mechanisms and applications in medicinal chemistry and drug discovery. The publication begins with an introductory chapter covering general principles and methodologies, nomenclature, and strategies of stereoselective synthesis. Next, it is divided into three parts: Part One: General Methods and Strategies Part Two: Stereoselective Synthesis by Bond Formation including C-C bond formation C-H bond formation C-O bond formation C-N bond formation Other C-heteroatom formation and other bond formation Part Three: Methods of Analysis and Chiral Separation References in every chapter serve as a gateway to the literature in the field. With this publication as their guide, chemists involved in the stereoselective synthesis of drugs and natural products now have a single, expertly edited source for all the methods they need.
