Structural Identification of Gas-phase Biomolecules Using Infrared Spectroscopy PDF Download

Author: Joost Miente Bakker
Publisher:
ISBN: 9789090186597
Category :
Languages : en
Pages : 0

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Author: José L. Alonso
Publisher:
ISBN: 9783319192055
Category : Biomolecules
Languages : en
Pages : 406

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Book Description
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Author: Anouk M. Rijs
Publisher: Springer
ISBN: 3319192043
Category : Science
Languages : en
Pages : 409

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Book Description
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Author: Peter Kupser
Publisher:
ISBN: 9783866649750
Category :
Languages : en
Pages : 205

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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: Zachary Michael Smith
Publisher:
ISBN:
Category : Biomolecules
Languages : en
Pages : 133

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Small biomolecule systems were interrogated using infrared multiple photon dissociation (IRMPD) action spectroscopy and corresponding quantum chemical calculations with a particular focus on peptide fragmentation and protonation site preference. b2+ and b3+ fragment ions with a terminal lysine homolog residue were investigated using IRMPD in the fingerprint region (1000 cm-1 – 2000 cm-1) and a variety of computational methods. We present the first spectroscopic confirmation of b-ion formation with a lactam structure. Infrared spectra for b2+ fragment system indicate the presence of a mixture of structures, though final determination will require further investigation. The b3+ fragment ion infrared spectra show strong support for the presence of a predominantly lactam structure. Extensive computational research in this system suggests the B3LYP method to be the most computationally efficient density functional theory method for spectral predictions. However, the inclusion of p-polarization into the basis set yielded inconclusive results and should be investigated further.

Author: Itai Kallos
Publisher:
ISBN:
Category :
Languages : en
Pages :

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The structural motifs of biomolecules are retrieved from the results of combined quantum computations and experiments measuring vibronic spectra, based on novel laser-based spectroscopic techniques, including laser-induced fluorescence (LIF), resonantly-enhanced multiphoton ionization (REMPI), and ultraviolet-ultraviolet hole burning (UV-UV HB). One of the state-of-the-art spectroscopic methods in this field involves infrared-ultraviolet (IR-UV) hole-burning (HB) spectroscopy, or infrared ion dip spectroscopy (IR-IDS), which can be employed to obtain isomer selective vibrational spectra. Usually, the use of IR sources provides limited spectral ranges, allowing measurement of only small portions of spectra, mainly covering hydride stretch vibrations. This approach often causes difficulties in obtaining conclusive results regarding the structure of probed species. To obtain a broader range spectrum for monitoring conformation-specific and mass selective spectra, similar to IR-IDS, our group developed an approach, comprising of ionization-loss stimulated Raman spectroscopy (ILSRS), coupled with time-of-flight mass spectrometry (TOFMS). The technique uses visible sources, allowing to monitor a far more extensive spectral range, including the hydride stretches as well as low-frequency modes. Combining this method with quantum chemical computations provides better discrimination between the different conformers, or tautomers, allowing identification of those found in the sample and enhancing our understanding of molecular interactions.

Author: Stephan Warnke
Publisher:
ISBN: 9783863876913
Category :
Languages : en
Pages : 0

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Author: Henry H. Mantsch
Publisher: Wiley-Liss
ISBN:
Category : Science
Languages : en
Pages : 384

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Book Description
Infrared Spectroscopy of Biomolecules Edited by Henry H. Mantsch and Dennis Chapman Dramatic new advances in the application of infrared spectroscopy to biomolecules and instrumentation are revolutionizing this branch of molecular spectroscopy. Infrared Spectroscopy of Biomolecules provides an up-to-date, detailed look at the different spectroscopic techniques now available and offers a framework for progression in the field, including the evolution of Fourier transform methods, the development of time-resolved techniques and difference spectroscopy, as well as new modulation methods. The book begins with a fundamental introduction to the theories behind both infrared spectroscopy and the Fourier transform method, which lays the groundwork for the instrumental and mathematical chapters that follow. Once the basics of the infrared methods are established, the proceeding chapters cover the application of infrared spectroscopy to proteins, lipids, enzymes, nucleic acids, carbohydrates, and biomembranes. Other chapters in this excellent reference include: Theoretical Analyses of the Amide I Infrared Bands of Globular Proteins Slow and Fast Infrared Kinetic Studies Fourier Transform Infrared Spectroscopy of Cell Surface Polysaccharides What Can Infrared Spectroscopy Tell Us About the Structure and Composition of Intact Bacterial Cells Biomedical Infrared Spectroscopy Editors Henry Mantsch and Dennis Chapman, leading experts in the field, conclude with an exciting look at much-anticipated future developments, including the use of caged compounds and studies of oxidation reduction systems within the IR spectrometer. A solid introduction to the basics with up-to-the-minute coverage of the latest developments in the field, Infrared Spectroscopy of Biomolecules is an indispensable reference tool for biochemists, biophysicists, and structural biologists alike.

Author: Widana Kankanamge Dayangani Nirosha Kaushalya
Publisher:
ISBN:
Category :
Languages : en
Pages : 86

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While chemical isomers typically have distinct properties, differentiating between them is often an analytical challenge, especially for mass spectrometric methods. Infrared multiple photon dissociation (IRMPD) spectroscopy and ion mobility spectrometry (IMS) can be useful in analysis of such isomeric compounds; however, experimental results alone do not directly provide in-depth structural information. In this thesis, computational chemistry is first used to explain experimental results and understand the conformational preference of the gas phase ions formed from the lithiation of cis-3, cis-4 and trans-4 hydroxyproline isomers and then used in a predictive manner to evaluate IRMPD spectroscopy and IMS as potential paths forward for the characterization of isomeric dye species. Finally, theoretical methods are used to begin to understand the dissociation pathways of lithiated hydroxyproline isomers in the gas phase, which is ongoing.