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Author: Felician Muntean
Publisher:
ISBN:
Category : Collisions (Nuclear physics)
Languages : en
Pages : 352
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Book Description
Author: Felician Muntean
Publisher:
ISBN:
Category : Collisions (Nuclear physics)
Languages : en
Pages : 352
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Book Description
Author: Jerry Gomez Lanorio
Publisher:
ISBN:
Category : Electronic books
Languages : en
Pages : 440
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Book Description
Author: Jean-Pierre Schermann
Publisher: Elsevier
ISBN: 0080558224
Category : Science
Languages : en
Pages : 499
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Book Description
Spectroscopy and Modeling of Biomolecular Building Blocks presents an overview of recent advances in the intertwining of the following research fields: photon and electron spectroscopy, quantum chemistry, modelling and mass-spectrometry. The coupling of these disciplines offers a new point of view to the understanding of isolated elementary building blocks of biomolecules and their assemblies. It allows the unambiguous separation between intrinsic properties of biomolecular systems and those induced by the presence of their environment. The first chapters provide background in modelling (I), frequency-resolved spectroscopy using microwave, infrared and UV photons, time-resolved spectroscopy in the femtosecond domain and energy-resolved electron spectroscopy (II) and production of gas-phase neutral and ionic biomolecular species, mass-spectrometry, ion mobility and BIRD techniques (III). Chapter IV is devoted to case studies of gas-phase experimental investigations coupled to quantum or classical calculations. The topics are structural studies of nucleobases and oligonucleotides, peptides and proteins, sugars; neuromolecules; non-covalent complexes; chiral systems, interactions of low-energy electrons with biomolecules in the radiation chemistry context and very large gas-phase biomolecular systems. The fifth chapter concerns the link between gas-phase and liquid-phase. Different treatments of solvation are illustrated through examples pointing out the influence of progressive addition of water molecules upon properties of nucleobases, peptides, sugars and neuromolecules. Offer a new perspective to the understanding of isolated elementary building blocks of bio molecules Includes case studies of experimental investigations coupled to quantum or classical calculations
Author: Alex Andrew Nickel
Publisher:
ISBN:
Category : Electronic books
Languages : en
Pages : 398
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Book Description
Energy-resolved competitive threshold collision-induced dissociation (TCID) measurements for radical species relevant to combustion were made using a guided ion beam tandem mass spectrometer. These ion thermochemistry methods can be used to obtain thermochemical properties of these neutral radicals through the use of thermochemical cycles. The high reactivity of radical species often makes them challenging to directly measure. Study of the peroxyformate anion (HC(O)OO−) revealed a singlet-triplet crossing in the oxygen-oxygen bond dissociation channel. Analysis of the thresholds gives the first experimentally determined enthalpies of formation for both peroxyformic acid and the peroxyformyl radical. We have also studied the TCID of linear and branched hexanol (C6H13OH) complexed with fluoride and acetylide to determine their gas-phase acidities. The role of conformation on the gas-phase acidities of 1-hexanol and 3, 3-dimethyl-1-butanol was explored using modified microcanonical statistical rate theory (RRKM) models with internal rotations treated as one-dimensional hindered rotors. These six-carbon primary alcohols have the same “intrinsic” gas-phase acidity, defined as deprotonation without conformational relaxation, but differ in observed acidity due to conformational stabilization of the anion.
Author: Peter B. Armentrout
Publisher: Springer Science & Business Media
ISBN: 3540000984
Category : Medical
Languages : en
Pages : 318
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Book Description
I Reactivity: E. Uggerud: Physical Organic Chemistry of the Gas Phase. Reactivity Trends for Organic Cations.- S. Petrie, D.K. Bohme: Mass Spectrometric Approaches to Interstellar Chemistry.- F. Turecek: Transient Intermediates of Chemical Reactions by Neutralization-Reionization Mass Spectrometry.- II Metalorganic Chemistry: D. Schröder, H. Schwarz: Diastereoselective Effects in Gas-Phase Ion Chemistry.- D.A. Plattner: Metalorganic Chemistry in the Gas Phase: Insight into Catalysis.- III Mass Spectrometric Methodology: T. Wyttenbach, M.T. Bowers: Gas-Phase Conformations: The Ion Mobility/Ion Chromatography Method.- P.B. Armentrout: Threshold Collision-Induced Dissociations for the Determination of Accurate Gas-Phase Binding Energies and Reaction Barriers.- IV Medicinal Chemistry: S.A. Trauger, T. Junker, G. Siuzdak: Investigating Viral Proteins and Intact Viruses with Mass Spectrometry M. Brönstrup: High-Throughput Mass Spectrometry for Compound Characterization in Drug Discovery.
Author: E. M. D. W. Ravi Amunugama
Publisher:
ISBN:
Category :
Languages : en
Pages : 930
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Book Description
Author: Wendell Forst
Publisher: Cambridge University Press
ISBN: 9780521529228
Category : Science
Languages : en
Pages : 342
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Book Description
This textbook covers the basics necessary for understanding the statistical theory of unimolecular reactions in its original and variational, phase-space and angular momentum-conserved incarnations. Because the emphasis is on "why" rather than "how to", there are many problems and answers to explore further. The book is targeted at graduate and advanced undergraduate students studying chemical dynamics, chemical kinetics and theoretical chemistry.
Author: Richard Barry Bernstein
Publisher: Springer Science & Business Media
ISBN: 1461329132
Category : Science
Languages : en
Pages : 785
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Book Description
The broad field of molecular collisions is one of considerable current interest, one in which there is a great deal of research activity, both experi mental and theoretical. This is probably because elastic, inelastic, and reactive intermolecular collisions are of central importance in many of the fundamental processes of chemistry and physics. One small area of this field, namely atom-molecule collisions, is now beginning to be "understood" from first principles. Although the more general subject of the collisions of polyatomic molecules is of great im portance and intrinsic interest, it is still too complex from the viewpoint of theoretical understanding. However, for atoms and simple molecules the essential theory is well developed, and computational methods are sufficiently advanced that calculations can now be favorably compared with experimental results. This "coming together" of the subject (and, incidentally, of physicists and chemists !), though still in an early stage, signals that the time is ripe for an appraisal and review of the theoretical basis of atom-molecule collisions. It is especially important for the experimentalist in the field to have a working knowledge of the theory and computational methods required to describe the experimentally observable behavior of the system. By now many of the alternative theoretical approaches and computational procedures have been tested and intercompared. More-or-Iess optimal methods for dealing with each aspect are emerging. In many cases working equations, even schematic algorithms, have been developed, with assumptions and caveats delineated.
Author: Christian Laurence
Publisher: John Wiley & Sons
ISBN: 9780470681893
Category : Science
Languages : en
Pages : 476
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Book Description
The Lewis concept of acids and bases is discussed in every general, organic and inorganic chemistry textbook. This is usually just a descriptive treatment, as it is not possible to devise a single numerical scale suitable for all occasions. However quantitative Lewis acid-base chemistry can be developed by compiling reaction-specific basicity scales which can be used in specific branches of chemistry and biochemistry. Lewis Basicity and Affinity Scales: Data and Measurementbrings together for the first time a comprehensive range of Lewis basicity/affinity data in one volume. More than 2400 equilibrium constants of acid-base reactions, 1500 complexation enthalpies, and nearly 2000 infrared and ultraviolet shifts upon complexation are gathered together in 25 thermodynamic and spectroscopic scales of basicity and/or affinity. For each scale, the definition, the method of measurement, an exhaustive database, and a critical discussion are given. All the data have been critically examined; some have been re-measured; literature gaps have been filled by original measurements; and each scale has been made homogeneous. This collection of data will enable experimental chemists to better understand and predict the numerous chemical, physical and biological properties that depend upon Lewis basicity. Chemometricians will be able to apply their methods to the data matrices constructed from this book in order to identify the factors which influence basicity and basicity-dependent properties. In addition, measured experimental basicities and affinities are essential to computational chemists for the validation, calibration and establishment of reliable computational methods for quantifying and explaining intermolecular forces and the chemical bond. Lewis Basicity and Affinity Scales: Data and Measurement is an essential single-source desktop reference for research scientists, engineers, and students in academia, research institutes and industry, in all areas of chemistry from fundamental to applied research. "The book is a noteworthy piece of work and represents a timely and vast accumulation of knowledge regarding Lewis bases that brings together accurate thermodynamic and spectroscopic data on typical reference Lewis acids. As such, it should serve as a useful and general guide to basicity." J. AM. CHEM. SOC. 2011, 133, 642
Author: Frederik Lermyte
Publisher: Royal Society of Chemistry
ISBN: 1839161108
Category : Science
Languages : en
Pages : 359
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Book Description
Breaking down large biomolecules into fragments in a controlled manner is key to modern biomolecular mass spectrometry. This book is a high-level introduction, as well as a reference work for experienced users, to ECD, ETD, EDD, NETD, UVPD, SID, and other advanced fragmentation methods. It provides a comprehensive overview of their history, mechanisms, instrumentation, and key applications. With contributions from leading experts, this book will act as an authoritative guide to these methods. Aimed at postgraduate and professional researchers, mainly in academia, but also in industry, it can be used as supplementary reading for advanced students on mass spectrometry or analytical (bio)chemistry courses.
