Raman Spectroscopy of Conformational Rearrangements at Low Temperatures PDF Download

Author: Nils Olaf Bernd Lüttschwager
Publisher: Springer
ISBN: 3319085662
Category : Science
Languages : en
Pages : 193

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Book Description
This thesis identifies the turning point in chain length, after which alkanes self-solvate into a folded structure instead of an extended stretched conformation. After this turning point, London dispersion forces rearrange isolated n-alkanes into a particular hairpin-structure, while for shorter chain lengths, a simple stretched conformation is energetically preferred. This thesis can locate the experimental turning point for the first time in an interaction-free manner from measurements of unbranched alkanes at low temperatures in supersonic jet expansions. It contains a detailed analysis of the vibrational Raman spectra of the chain molecules, which is supported by comprehensive quantum chemical simulations. In this way, the detailed balance between inter-chain attraction and conformational flexibility can be quantified. The investigations are complemented by measurements of perfluoroalkanes and similarities and differences between the compounds are discussed. Furthermore, Nils Lüttschwager determines the stiffnesses (elastic moduli) of two of the most common industrial polymers: polyethylene and polytetrafluorethylene. He uses in this thesis a sophisticated extrapolation to calculate this value from quantities of their building blocks, showing that the single polymer molecules can be as stiff as a rod of steel.

Author: Jan Greve
Publisher: Springer Science & Business Media
ISBN: 9401144796
Category : Science
Languages : en
Pages : 724

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Book Description
Investigation of the structure and function of biological molecules through spectroscopic methods is a field rich in revealing, clever techniques and demanding experiments. It is most gratifying to see that the basic concepts are applied to more and more complex systems, making feasible the study of the behaviour of whole systems in relation to molecular disturbances. The analytical potential of spectroscopy and spectroscopic imaging enables species identification of bacteria and tissue recognition. Clear opportunities for in vivo applications become apparent in the medical field. The methods developed in biophysics start to generate spin-off in the direction of biotechnology, where in previous years we have seen this happen for biochemical techniques. New directions are manifest. Tools are being developed to investigate the behaviour of single molecules in interaction with their environment. Individual interactions can now be investigated and individual molecules in complexes can be visualized. Processes that were previously unobservable as a result of ensemble averaging can now be investigated on a single molecule level. Completely new information with regard to molecular behaviour is obtained in this way. The insights amaze us and the prospect that this development will continue is exciting. The 8th European Conference on the Spectroscopy of Biological Molecules is proud to have contributed to the dissemination of these new directions. This proceedings book is an appropriate reflection of the progress obtained so far in the spectroscopy of biological molecules.

Author: Roger L. Lundblad
Publisher: CRC Press
ISBN: 1439807817
Category : Medical
Languages : en
Pages : 370

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Book Description
The activity of many biopharmaceutical polymers is dependent on conformation, and the next several years will see increased interest in the conformational analysis of these polymers resulting from the development of biosimilar or "follow-on" biological products. While a wide variety of approaches to analysis exists, finding the most viable ones wou

Author: Anatoly M Belostotskii
Publisher: World Scientific
ISBN: 9814730238
Category : Science
Languages : en
Pages : 581

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Book Description
This innovative book presents an original account of the principles of conformational theory. It has a strong focus on computational methodologies for conformational space exploration. By revisiting basic conformational conventions, considering experimental results which are often misinterpreted by organic chemists, and qualitatively analyzing the potential energy surface, the book helps non-experts to understand molecular flexibility at the level required in contemporary research.The book shows synthetic organic chemists how to perform successful conformational studies using widespread calculation packages ('click computational chemistry') instead of being misguided by textbook-based conformational analysis. The monograph actually offers to synthetic chemists a new research tool that can significantly upgrade their ability to predict, or at least explain, regioselectivity and stereoselectivity in their own reactions.

Author: Elena Boldyreva
Publisher: Springer Science & Business Media
ISBN: 9048192579
Category : Science
Languages : en
Pages : 603

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Book Description
This unique book is devoted to the theme of crystallographic studies at high pressure. It places emphasis on the phenomena characteristic to the compressed state of matter, as well as experimental and theoretical techniques, used to study these phenomena.

Author:
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 1220

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Author: Waldemar Alfredo Monteiro
Publisher: BoD – Books on Demand
ISBN: 9535122762
Category : Science
Languages : en
Pages : 160

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Book Description
This book brings suitable data concerning theory and experiments of neutron interactions with different materials. Since the neutron discovery by Chadwick in 1932, researchers of the entire world begin to make studies about it. It is well known that neutron have no charge, and their electric dipole moment is either zero or too small to measure, but theories and experiments show that neutron has spin (presence of magnetic moment), and polarization neutron scattering is plausible. The reader can obtain remarks about inelastic scattering cross sections for neutron; polarized neutron reflectivity; scattering methods; neutron reflectometry tool to probe the chemical structures; neutron scattering for amino acid crystals; and small-angle neutron scattering nanoemulsion heat transfer fluids in this book.

Author: U.W. Gedde
Publisher: Springer Science & Business Media
ISBN: 940110543X
Category : Science
Languages : en
Pages : 301

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Book Description
This book is the result of my teaching efforts during the last ten years at the Royal Institute of Technology. The purpose is to present the subject of polymer physics for undergraduate and graduate students, to focus the fundamental aspects of the subject and to show the link between experiments and theory. The intention is not to present a compilation of the currently available literature on the subject. Very few reference citations have thus been made. Each chapter has essentially the same structure: starling with an introduction, continuing with the actual subject, summarizing the chapter in 30D-500 words, and finally presenting problems and a list of relevant references for the reader. The solutions to the problems presented in Chapters 1-12 are given in Chapter 13. The theme of the book is essentially polymer science, with the exclusion of that part dealing directly with chemical reactions. The fundamentals in polymer science, including some basic polymer chemistry, are presented as an introduction in the first chapter. The next eight chapters deal with different phenomena (processes) and states of polymers. The last three chapters were written with the intention of making the reader think practically about polymer physics. How can a certain type of problem be solved? What kinds of experiment should be conducted? This book would never have been written without the help of my friend and adviser, Dr Anthony Bristow, who has spent many hours reading through the manuscript. criticizing the content.

Author: Deepak Chopra
Publisher: Royal Society of Chemistry
ISBN: 1788015169
Category : Science
Languages : en
Pages : 358

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Book Description
Technological and computational advances in the past decade have meant a vast increase in the study of crystalline matter in both organic, inorganic and organometallic molecules. These studies revealed information about the conformation of molecules and their coordination geometry as well as the role of intermolecular interactions in molecular packing especially in the presence of different intermolecular interactions in solids. This resulting knowledge plays a significant role in the design of improved medicinal, mechanical, and electronic properties of single and multi-component solids in their crystalline state. Understanding Intermolecular Interactions in the Solid State explores the different techniques used to investigate the interactions, including hydrogen and halogen bonds, lone pair–pi, and pi–pi interactions, and their role in crystal formation. From experimental to computational approaches, the book covers the latest techniques in crystallography, ranging from high pressure and in situ crystallization to crystal structure prediction and charge density analysis. Thus this book provides a strong introductory platform to those new to this field and an overview for those already working in the area. A useful resource for higher level undergraduates, postgraduates and researchers across crystal engineering, crystallography, physical chemistry, solid-state chemistry, supramolecular chemistry and materials science.

Author: D. Nasipuri
Publisher: New Age International
ISBN: 9788122405705
Category : Science
Languages : en
Pages : 596

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Book Description
During Recent Years, Stereochemistry Has Undergone A Phenomenal Growth Both In Theory And Practice, With A Concomitant Increase Of Interest Among The Organic Chemists, Biological Chemists, Medicinal Chemists, And Pharmacologists. The Present Text Provides An Up-To-Date, Coherent; And Comprehensive Account Of The Subject Starting From The Fundamentals And Leading Up To The Latest Development As Far As Practicable. Emphasis Has Been Placed On Symmetry-Based Approach To Molecular Chirality, Stereochemical Terminologies (Modern Stereochemistry Is Replete, With Them), Topicity And Prostereoisomerism, Conformational Analysis, Dynamic Stereochemistry, Chiroptical Properties, And Assignment Of Absolute Configuration To Chiral Molecules.Dynamic Stereochemistry Has Been Discussed With Reference To Conformation-Reactivity Correlation, Stereoselective Syntheses, And Pericyclic Reactions. A Large Cross Section Of Organic Reactions With Stereochemical Implication Has Been Incorporated. Attempts Have Been Made To Familiarise The Readers With Modem Instrumental Techniques, Nuclear Magnetic Resonance In Particular, Used For Stereochemical Investigation. Each Chapter Is Provided With A Summary Which Highlights The Main Points Of The Text. Selective References, Mostly Of Textbooks, Monographs, Review Articles, And Significant Original Papers Have Been Given Extending Sometimes To Early 1991.The Book Is Expected To Fulfil The Long-Felt Need For A Comprehensive Text On Modern Organic Stereochemistry Which Is Conspicuously Absent Since The Publication Of Professor Eliels Book In 1962. The Text May Be Adopted At Any Stage Of The University Teaching And At The Same Time Be Useful To The Practising Organic Chemists.