Conformational Analysis of Molecules in Excited States

Conformational Analysis of Molecules in Excited States PDF Author: Jacek Waluk
Publisher: John Wiley & Sons
ISBN: 9780471297079
Category : Science
Languages : en
Pages : 400

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Book Description
A unique look at some of the hottest topics in photophysics and photochemistry today The study of molecules in excited states has exploded over the past decade, providing new insights into conformational changes in organic molecules and opening up research opportunities for scientists and professionals in chemistry, physics, biology, medicine, and materials engineering. Using conformational analysis as a unifying concept, this important new work provides readers with a cohesive and cutting-edge overview of this fascinating and challenging field. From conformational changes accompanying photoinduced electron transfer to elementary photophysical and photochemical processes in living systems, the most representative and challenging topics are carefully gleaned from the vast literature, highlighting major conceptual problems along with the relevant experimental techniques. Authoritative, detailed contributions from both experimentalists and theoreticians include coverage of: * Conformational changes in intramolecular excited state electron transfer * Conformational aspects of excited state proton transfer * The novel topic of solute-solvent friction in chemical reactions * Mechanisms and structural aspects of exciplex formations * Conformational aspects of organic photochemistry * Calculations of excited state conformational properties

Conformational Analysis of Molecules in Excited States

Conformational Analysis of Molecules in Excited States PDF Author: Jacek Waluk
Publisher: John Wiley & Sons
ISBN: 9780471297079
Category : Science
Languages : en
Pages : 400

Get Book Here

Book Description
A unique look at some of the hottest topics in photophysics and photochemistry today The study of molecules in excited states has exploded over the past decade, providing new insights into conformational changes in organic molecules and opening up research opportunities for scientists and professionals in chemistry, physics, biology, medicine, and materials engineering. Using conformational analysis as a unifying concept, this important new work provides readers with a cohesive and cutting-edge overview of this fascinating and challenging field. From conformational changes accompanying photoinduced electron transfer to elementary photophysical and photochemical processes in living systems, the most representative and challenging topics are carefully gleaned from the vast literature, highlighting major conceptual problems along with the relevant experimental techniques. Authoritative, detailed contributions from both experimentalists and theoreticians include coverage of: * Conformational changes in intramolecular excited state electron transfer * Conformational aspects of excited state proton transfer * The novel topic of solute-solvent friction in chemical reactions * Mechanisms and structural aspects of exciplex formations * Conformational aspects of organic photochemistry * Calculations of excited state conformational properties

Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy

Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy PDF Author: David A. Lightner
Publisher: John Wiley & Sons
ISBN: 9780471354055
Category : Science
Languages : en
Pages : 508

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Book Description
Unter Zirkulardichroismus (CD) versteht man die spezifisch unterschiedliche Absorption von links- und rechtszirkular polarisiertem Licht durch bestimmte Moleküle. CD-Effekte lassen sich in Abhängigkeit von der Wellenlänge messen und spektroskopisch auswerten; sie geben beispielsweise Auskunft über die Konformation organischer Verbindungen. Dieses Buch richtet sich an den organischen Chemiker, der mit den Grundprinzipien der Stereochemie vertraut ist, und erläutert die Anwendung der CD-Spektroskopie zur Konformationsanalyse ausführlich und verständlich. (06/00)

Structures and Conformations of Non-Rigid Molecules

Structures and Conformations of Non-Rigid Molecules PDF Author: J. Laane
Publisher: Springer Science & Business Media
ISBN: 9401120749
Category : Science
Languages : en
Pages : 640

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Book Description
From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.

The Chemistry of Anilines

The Chemistry of Anilines PDF Author: Zvi Rappoport
Publisher: John Wiley & Sons
ISBN: 9780470871720
Category : Science
Languages : en
Pages : 1180

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Book Description
Aniline is the parent molecule of a vast family of aromatic amines. Since its discovery in 1826 it has become one of the hundred most important building blocks in chemistry. Aniline is used as an intermediate in many different fields of applications, such as isocyanates, rubber processing chemicals, dyes and pigments, agricultural chemicals and pharmaceuticals. The understanding of functional groups is key for the understanding of all organic chemistry. In the tradition of the Patai Series, this volume treats all aspects of this functional group. It contains chapters on the theoretical and computational foundations; on analytical and spectroscopical aspects with dedicated chapters on Mass Spectrometry, NMR, IR/UV, etc.; on reaction mechanisms; on applications in syntheses.

Grants and Awards for the Fiscal Year Ended ...

Grants and Awards for the Fiscal Year Ended ... PDF Author: National Science Foundation (U.S.)
Publisher:
ISBN:
Category : Federal aid to research
Languages : en
Pages : 260

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Book Description


Research Awards Index

Research Awards Index PDF Author:
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 742

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Book Description


AMolecular Description of Biological Membrane Components by Computer Aided Conformational Analysis

AMolecular Description of Biological Membrane Components by Computer Aided Conformational Analysis PDF Author: Robert Brasseur
Publisher: CRC Press
ISBN: 1000697665
Category : Medical
Languages : en
Pages : 424

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Book Description
First published in 1990, the goal of these two volumes is to help fill the gap between theory and experiment in membrane science. Those involved with biochemistry, biophysics, pharmacology, and biology will find these volumes interesting and informative.

Advances in Protein Molecular and Structural Biology Methods

Advances in Protein Molecular and Structural Biology Methods PDF Author: Timir Tripathi
Publisher: Academic Press
ISBN: 0323902650
Category : Science
Languages : en
Pages : 716

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Book Description
Advances in Protein Molecular and Structural Biology Methods offers a complete overview of the latest tools and methods applicable to the study of proteins at the molecular and structural level. The book begins with sections exploring tools to optimize recombinant protein expression and biophysical techniques such as fluorescence spectroscopy, NMR, mass spectrometry, cryo-electron microscopy, and X-ray crystallography. It then moves towards computational approaches, considering structural bioinformatics, molecular dynamics simulations, and deep machine learning technologies. The book also covers methods applied to intrinsically disordered proteins (IDPs)followed by chapters on protein interaction networks, protein function, and protein design and engineering. It provides researchers with an extensive toolkit of methods and techniques to draw from when conducting their own experimental work, taking them from foundational concepts to practical application. - Presents a thorough overview of the latest and emerging methods and technologies for protein study - Explores biophysical techniques, including nuclear magnetic resonance, X-ray crystallography, and cryo-electron microscopy - Includes computational and machine learning methods - Features a section dedicated to tools and techniques specific to studying intrinsically disordered proteins

Research Grants Index

Research Grants Index PDF Author: National Institutes of Health (U.S.). Division of Research Grants
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 1328

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Book Description


Circular Dichroism and the Conformational Analysis of Biomolecules

Circular Dichroism and the Conformational Analysis of Biomolecules PDF Author: G.D. Fasman
Publisher: Springer Science & Business Media
ISBN: 1475725086
Category : Science
Languages : en
Pages : 739

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Book Description
''Excellent and very timely....It will undoubtedly become a standard reference for the application of circular dichroism (CD) to biomolecules.'' --- Quarterly Review of Biology, March 1997 ''[T]estament to the book's utility is the fact that during the course of my review I had to 'rescue' it from the desks of graduate students on an almost daily basis. In summary, this is a great book.'' --- American Scientist ''Well documented chapters provide a very good insight into the problems surrounding the conformation of biomacromolecules...An indispensible source of information.'' --- Nahrung, 42(2), 1998 Renowned experts present the first state-of-the-art description of circular dichroism spectroscopy (CD). Chapters present in-depth discussions of the history of the field, the theory of CD for application to globular proteins, membrane proteins, peptides, nucleic acids and their interactions, carbohydrates, and instrumentation. Discussions also feature new techniques using synchrotron radiation, vibrational Raman optical activity, and vibrational CD. More than 250 illustrations supplement the text.