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Computational Approaches In Supramolecular Chemistry
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Book Synopsis Computational Methods in Photochemistry by : Andrei G. Kutateladze
Download or read book Computational Methods in Photochemistry written by Andrei G. Kutateladze and published by CRC Press. This book was released on 2005-05-05 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: Addressing critical aspects of computational modeling in photochemistry, Molecular Methods in Photochemistry is designed to familiarize researchers and practitioners with state-of-the-art computational methods to predict the reactivity of excited molecules. It provides practical guidelines and examples for the modeling of excited states and describ
Book Synopsis Computational Approaches in Supramolecular Chemistry by : G. Wipff
Download or read book Computational Approaches in Supramolecular Chemistry written by G. Wipff and published by . This book was released on 2014-01-15 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Comprehensive Supramolecular Chemistry II by : George W. Gokel
Download or read book Comprehensive Supramolecular Chemistry II written by George W. Gokel and published by Elsevier. This book was released on 2017-06-22 with total page 4627 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Supramolecular Chemistry II, Second Edition, Nine Volume Set is a ‘one-stop shop’ that covers supramolecular chemistry, a field that originated from the work of researchers in organic, inorganic and physical chemistry, with some biological influence. The original edition was structured to reflect, in part, the origin of the field. However, in the past two decades, the field has changed a great deal as reflected in this new work that covers the general principles of supramolecular chemistry and molecular recognition, experimental and computational methods in supramolecular chemistry, supramolecular receptors, dynamic supramolecular chemistry, supramolecular engineering, crystallographic (engineered) assemblies, sensors, imaging agents, devices and the latest in nanotechnology. Each section begins with an introduction by an expert in the field, who offers an initial perspective on the development of the field. Each article begins with outlining basic concepts before moving on to more advanced material. Contains content that begins with the basics before moving on to more complex concepts, making it suitable for advanced undergraduates as well as academic researchers Focuses on application of the theory in practice, with particular focus on areas that have gained increasing importance in the 21st century, including nanomedicine, nanotechnology and medicinal chemistry Fully rewritten to make a completely up-to-date reference work that covers all the major advances that have taken place since the First Edition published in 1996
Book Synopsis Computational Approaches in Supramolecular Chemistry by : G. Wipff
Download or read book Computational Approaches in Supramolecular Chemistry written by G. Wipff and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: Supramolecular chemistry has been defined by J.-M. Lehn as "a highly interdisciplinary field of science covering the chemical, physical, and biological features of chemical species of higher complexity, that are held together and organized by means of intermolecular (noncovalent) binding interactions" (Science, 1993). Recognition, reactivity, and transport represent three basic functional features, in essence dynami~s, which may be translated into structural features. The purpose of the NATO workshop which took place september 1-5, 1993 at the Bischenberg (near Strasbourg) was to present computations which may contribute to the atomic level understanding of the structural and thermodynamical features involved in the processes of molecular recognition and supramolecular organization. of "supra-molecular modeling". Other The main focus was therefore, on the many facets applications of computers in chemistry, such as automation, simulation of processes, procedures for fitting kinetic or thermodynamic data, computer assisted synthetic strategies, use of data bases for structure elucidation or for bibliographic searches, have an obvious impact in supramolecular chemistry as well, but were not presented at the workshop.
Book Synopsis Physico-chemical and Computational Approaches to Drug Discovery by : Javier Luque
Download or read book Physico-chemical and Computational Approaches to Drug Discovery written by Javier Luque and published by Royal Society of Chemistry. This book was released on 2012 with total page 443 pages. Available in PDF, EPUB and Kindle. Book excerpt: This title covers a wide range of topics relevant to the development of drugs. It provides a comprehensive description of the major methodological strategies available for rational drug discovery.
Book Synopsis A Practical Guide to Supramolecular Chemistry by : Peter J. Cragg
Download or read book A Practical Guide to Supramolecular Chemistry written by Peter J. Cragg and published by John Wiley & Sons. This book was released on 2005-11-04 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Practical Guide to Supramolecular Chemistry is an introductory manual of practical experiments for chemists with little or no prior experience of supramolecular chemistry. Syntheses are clearly presented to facilitate the preparation of acyclic and macrocyclic compounds frequently encountered in supramolecular chemistry using straightforward experimental procedures. Many of the compounds can be used to illustrate classic supramolecular phenomena, for which clear directions are given, or may be developed further as part of the reader's own research. The book also describes techniques commonly used in the analysis of supramolecular behaviour, including computational methods, with many detailed examples. An invaluable reference for students and researchers in the field embarking on supramolecular chemistry projects and looking for a 'tried and tested' route into the chemistry of key compounds. An introductory guide to practical syntheses focusing on supramolecular chemistry. Fully referenced introductions explain the historical and contemporary importance of each compound Supplementary website including 3D molecular structures, FAQ's about syntheses and suggestions for further experiments
Book Synopsis Host–Guest Chemistry by : Brian D. Wagner
Download or read book Host–Guest Chemistry written by Brian D. Wagner and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-10-26 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook addresses the chemical and physicochemical principles of supramolecular host-guest chemistry in solution. It covers the thermodynamics and dynamics of inclusion and highlights several types of organic hosts. Various applications of host-guest chemistry in analytical and environmental chemistry as well as pharmaceutical and chemical industry demonstrate the versatile usability of molecular cages.
Book Synopsis Supramolecular Science by : Rocco Ungaro
Download or read book Supramolecular Science written by Rocco Ungaro and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: A summary of all the most important aspects of supramolecular science, from molecular recognition in chemical and biological systems to supramolecular devices, materials and catalysis. The 17 chapters cover calixarenes, catenanes, cavitands, cholophanes, dendrimers, membranes and self-assembly systems, molecular modelling, molecular level devices, organic materials, peptides and protein surfaces, recognition of carbohydrates, rotaxanes, supramolecular catalysis. A forward-looking chapter written by J.-M. Lehn indicated the future prospects for the entire field. Audience: Ph.D. students and young researchers in chemistry, physics and biology.
Book Synopsis Theory and Applications of Computational Chemistry by : Clifford Dykstra
Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
Book Synopsis NMR in Supramolecular Chemistry by : Miquel Pons
Download or read book NMR in Supramolecular Chemistry written by Miquel Pons and published by Springer Science & Business Media. This book was released on 1999-03-31 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR is better suited than any other experimental technique for the characterization of supramolecular systems in solution. The presentations included here can be broadly divided into three classes. The first class illustrates the state of the art in the design of supramolecular systems and includes examples of different classes of supramolecular complexes: catenanes, rotaxanes, hydrogen-bonded rosettes, tubes, capsules, dendrimers, and metal-containing hosts. The second class comprises contributions to NMR methods that can be applied to address the main structural problems that arise in supramolecular chemistry. The third class includes biological supramolecular systems studied by state-of-the-art NMR techniques.
Book Synopsis Supramolecular Chemistry by : Peter J. Cragg
Download or read book Supramolecular Chemistry written by Peter J. Cragg and published by Springer Science & Business Media. This book was released on 2010-08-26 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to return to the biomimicry and medicinal potential that inspired many of the early supramolecular chemists and to set it in the context of current advances in the field. Following an overview of supramolecular chemistry, the first section considers the efforts made to synthesize artificial systems that mimic biological entities. The second section addresses the application of supramolecular principles to molecular diagnostics with a particular emphasis on the ‘receptor-relayreporter’ motif. Many of the examples chosen have clinical importance. The third section takes the clinical diagnostic theme further and demonstrates the therapeutic applications of supramolecular chemistry through photodynamic therapy, drug delivery, and the potential for synthetic peptides to form antibiotic tubes. The short epilogue considers the potential for supramolecular solutions to be found for further challenges in biomimetic and therapeutic chemistry.
Book Synopsis Supramolecular Coordination Complexes by : Sankarasekaran Shanmugaraju
Download or read book Supramolecular Coordination Complexes written by Sankarasekaran Shanmugaraju and published by Elsevier. This book was released on 2022-10-28 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: Supramolecular Coordination Complexes: Design, Synthesis, and Applications discusses the growth of the field and explores the advantages, opportunities and latest applications of supramolecular complexes. Beginning with an introduction to design principles, synthetic methods, and post-synthetic functionalization of supramolecular complexes, the book goes on to compile the different analytical and computational modeling methods used to understand the structure and functional properties of supramolecular structures. Applications of supramolecular complexes in biomedicine, sensing, catalysis and materials are then explored in detail. Drawing on the knowledge of a global team of experts, this book provides a wealth of interesting information for students and researchers working in the design, synthesis or application of such complexes. Discusses cutting-edge approaches for the investigation of supramolecular coordination chemistry Summarizes a varied range of supramolecular coordination, complex designs and applications Highlights the interdisciplinary connections between supramolecular chemistry and the fields of biology and materials science
Book Synopsis Supramolecular Protein Chemistry by : Peter B Crowley
Download or read book Supramolecular Protein Chemistry written by Peter B Crowley and published by Royal Society of Chemistry. This book was released on 2020-12-09 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Building on decades of “host-guest” research, recent years have seen a surge of activity in water-soluble supramolecular receptors for protein recognition and assembly. Progress has been particularly rich in the area of calixarenes, cucurbiturils and molecular tweezers. Emerging applications include controlled protein assembly in solution, crystal engineering, supramolecular control of catalysis (both in vitro and in vivo), as well as novel mechanisms of protein-interaction inhibition with relevance to amyloids and disease. One challenge at the interface of supramolecular chemistry and protein science is to increase interaction and collaboration between chemists and biochemists/structural biologists.This book addresses the exciting interface of supramolecular chemistry and protein science. Chapters cover supramolecular approaches to protein recognition, assembly and regulation. Principles outlined will highlight the opportunities that are readily accessible to collaborating chemists and biochemists, enriching the breadth and scope of this multidisciplinary field. Supramolecular Protein Chemistry will be of particular interest to graduate students and researchers working in supramolecular chemistry, protein science, self-assembly, biomaterials, biomedicine and biotechnology.
Book Synopsis New Methods for the Study of Biomolecular Complexes by : W. Ens
Download or read book New Methods for the Study of Biomolecular Complexes written by W. Ens and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: A NATO Advanced Research Workshop entitled New Methods for the Study of Molecular Aggregates was held at Tbe Lodge at Kananaskis Village, Alberta, Canada from 16 -20 June 1996. In fact the meeting was entirely concerned with the problem of analyzing biomolecular complexes, so the title of these proceedings has been altered to give a more precise description of the content. Tbe workshop was hosted by the time-of-flight group of the Department of Physics at the University of Manitoba, and was attended by 64 participants from around the world. '!\venty-one invited talks were given and 27 papers were presented as posters. Of the 48 contributions, 22 papers (12 orals, 10 posters) are included in these proceedings. Tbe subject of the conference was the investigation of noncovalent biomolecular complexes, with particular focus on the application of mass spectrometry to their characterization. '!\vo new ionization techniques introduced in the late 1980s, electrospray ionization (ES I) and matrix-assisted laser desorptionlionization (MALDI), resulted in a breakthrough in mass spectrometry, enabling its use in molecular weight and primary structure determination of biopolymers larger than 100 kDa. Recently it has been discovered that ESI mass spectrometry mayaiso be used to characterize complexes containing noncovalent interactions, thus opening new perspectives for supramolecular chemistry. ESI mass spectrometry has the advantage that the sampie is introduced from a homogenous solution which can be maintained at near physiological conditions of pR, concentration, and temperature.
Download or read book Calixarenes written by C David Gutsche and published by Royal Society of Chemistry. This book was released on 2008-01-22 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: Calixarenes was the first book to be published in the `Monographs in Supramolecular Chemistry' series and is also the first complete survey available of this rapidly developing field. It provides a fascinating and lively account of the history, development and applications of calixarenes, which are probably the world's most readily available synthetic molecular baskets. These basket shaped compounds possess the ability to hold metal ions, as well as molecules, in their interior and as a result of their extraordinarily easy synthesis from phenols and aldehydes are receiving increasingly wide attention. This book is a must for advanced undergraduates and post-graduates studying bio-organic and supramolecular chemistry.
Download or read book Calixarenes 2001 written by M.-Z. Asfari and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Calixarene chemistry, at the turn of the millennium, is a field approaching true maturity. In many areas, applications are real and important, and the arsenal of structures based on calixarenes provides tools effective in numerous areas of supramolecular chemistry. In this book, chapters contributed by a broad spectrum of international authors provide a variety of perspectives upon the progress and future of calixarene chemistry. Issues covered in depth include: Calixarene synthesis, with all its subtleties and sophistication. Forces at play in the inclusion of neutral and charged molecules by calixarenes. Theoretical analyses of calixarene properties. Dynamics and thermodynamics of calixarenes and their complexes. Nanocomposite construction based on calixarene aggregates. Calixarenes on surfaces. Analytical applications of calixarenes. Catalysis by calixarenes and their complexes. Resource recovery and waste treatment with calixarenes. New directions in calixarene chemistry. Hetero- and homo-calixarenes. Bioactive calixarenes. Coordination chemistry of calixarenes. Calixarenes in the solid state.
Author :Kenneth Richard Seddon Publisher :Springer Science & Business Media ISBN 13 :9780792359050 Total Pages :524 pages Book Rating :4.3/5 (59 download)
Book Synopsis Crystal Engineering: The Design and Application of Functional Solids by : Kenneth Richard Seddon
Download or read book Crystal Engineering: The Design and Application of Functional Solids written by Kenneth Richard Seddon and published by Springer Science & Business Media. This book was released on 1999-09-30 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystal engineers need an understanding of bonding theory, computational chemistry, applied spectroscopy, structural methods, synthesis strategies, and applications of custom-designed solids. This book contains chapters on all these topics, written by internationally recognized experts, plus contributions from leading researchers in the field.
