Spectroscopy And Modeling Of Biomolecular Building Blocks

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

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.

The first book to serve as both an introduction and state-of-the-art biophysical applications of fluorescent probe, Fluorescent Analogues of Biomolecular Building Blocks focuses on design, synthesis, and implementation of new fluorescent analogues of biomolecular building blocks. Featuring a chapter by Nobelist Roger Tsien, the text focuses on designing fluorescent probes for the four major families of macromolecular building blocks and summarizes the most important and general contributions discussing fluorescent probes that were designed to shed light on biological processes.

Advances in Atomic, Molecular, and Optical Physics, Volume 69, the latest release in this ongoing series, provides a comprehensive compilation of recent developments in a field that is in a state of rapid growth, as new experimental and theoretical techniques are used on many problems, both old and new. Topics covered in this new release include Strong-field ion spectroscopy, Configurable microscopic optical potentials, Polaritons, Rydberg excitation of trapped cold ions - a new platform for quantum technologies, High intensity QED, Recollision imaging, and more. Presents the work of international experts in the field Contains comprehensive articles that compile recent developments in a field that is experiencing rapid growth, with new experimental and theoretical techniques emerging Ideal for users interested in optics, excitons, plasmas and thermodynamics Covers atmospheric science, astrophysics, and surface and laser physics, amongst other topics

Peptide therapy has become a key strategy in innovative drug development, however, one of the potential barriers for the development of novel peptide drugs in the clinic is their deficiencies in clearly defined chemistry, manufacturing and controls (CMC) strategy from clinical development to commercialization. CMC can often become a rate-limiting step due to lack of knowledge and lack of a formal policy or guidelines on CMC for peptide-based drugs. Regulators use a risk-based approach, reviewing applications on a case-by-case basis. Peptide Therapeutics: Strategy and Tactics for Chemistry, Manufacturing, and Controls covers efficient manufacturing of peptide drug substances, a review of the process for submitting applications to the regulatory authority for drug approval, a holistic approach for quality attributes and quality control from a regulatory perspective, emerging analytical tools for the characterisation of impurities, and the assessment of stability. This book is an essential reference work for students and researchers, in both academia and industry, with an interest in learning about CMC, and facilitating development and manufacture of peptide-based drugs.

The book highlights recent developments in the field of spectroscopy by providing the readers with an updated and high-level of overview. The focus of this book is on the introduction to concepts of modern spectroscopic techniques, recent technological innovations in this field, and current examples of applications to molecules and materials relevant for academia and industry. The book will be beneficial to researchers from various branches of science and technology, and is intended to point them to modern techniques, which might be useful for their specific problems. Spectroscopic techniques, that are discussed include, UV-Visible absorption spectroscopy, XPS, Raman spectroscopy, SERS, TERS, CARS, IR absorption spectroscopy, SFG, LIBS, Quantum cascade laser (QCL) spectroscopy, fluorescence spectroscopy, ellipsometry, cavity-enhanced absorption spectroscopy, such as cavity ring-down spectroscopy (CRDS) and evanescent wave-CRDS both in gas and condensed phases, time-resolved spectroscopy etc. Applications introduced in the different chapters demonstrates the usefulness of the spectroscopic techniques for the characterization of fundamental properties of molecules, e.g. in connection with environmental impact, bio-activity, or usefulness for pharmaceutical drugs, and materials important e.g. for nano-science, nuclear chemistry, or bio-applications. The book presents how spectroscopic techniques can help to better understand substances, which have also great impact on questions of social and economic relevance (environment, alternative energy, etc.).

Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource.

The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.

Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. Adopting a practical point of view, the author team from academia and industry guarantees both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem.

Chiral Derivatizing Agents, Macrocycles, Metal Complexes and Liquid Crystals for Enantiomer Differentiation in NMR Spectroscopy: Thomas J. Wenzel. Chiral NMR Solvating Additives for Differentiation of Enantiomers: Gloria Uccello-Barretta and Federica Balzano. Chiral Sensor Devices for Differentiation of Enantiomers: Kyriaki Manoli, Maria Magliulo and Luisa Torsi. Enantiopure supramolecular cages: synthesis and chiral recognition properties: Thierry Brotin, Laure Guy, Alexandre Martinez, Jean-Pierre Dutasta. Interconversion of Stereochemically Labile Enantiomers (Enantiomerization) : Oliver Trapp. Anisotropy Spectra for Enantiomeric Differentiation of Biomolecular Building Blocks: A.C. Evans, C. Meinert, J.H. Bredehöft, C. Giri, N.C. Jones, S.V. Hoffmann, U.J. Meierhenrich. Self-disproportionation of Enantiomers of Enantiomerically Enriched Compounds: Alexander E. Sorochinsky and Vadim A. Soloshonok.

The advent of new neutron facilities and the improvement of existing sources and instruments world wide supply the biological community with many new opportunities in the areas of structural biology and biological physics. The present volume offers a clear description of the various neutron-scattering techniques currently being used to answer biologically relevant questions. Their utility is illustrated through examples by some of the leading researchers in the field of neutron scattering. This volume will be a reference for researchers and a step-by-step guide for young scientists entering the field and the advanced graduate student.

Fluorescent Analogs of Biomolecular Building Blocks focuses on the design of fluorescent probes for the four major families of macromolecular building blocks. Compiling the expertise of multiple authors, this book moves from introductory chapters to an exploration of the design, synthesis, and implementation of new fluorescent analogues of biomolecular building blocks, including examples of small-molecule fluorophores and sensors that are part of biomolecular assemblies.

The development of new sources and methods in the terahertz spectral range has generated intense interest in terahertz spectroscopy and its application in an array of fields. Presenting state-of-the-art terahertz spectroscopic techniques, Terahertz Spectroscopy: Principles and Applications focuses on time-domain methods based on femtosecond laser sources and important recent applications in physics, materials science, chemistry, and biomedicine. The first section of the book examines instrumentation and methods for terahertz spectroscopy. It provides a comprehensive treatment of time-domain terahertz spectroscopic measurements, including methods for the generation and detection of terahertz radiation, methods for determining optical constants from time-domain measurements, and the use of femtosecond time-resolved techniques. The last two sections explore a variety of applications of terahertz spectroscopy in physics, materials science, chemistry, and biomedicine. With chapters contributed by leading experts in academia, industry, and research, this volume thoroughly discusses methods and applications, setting it apart from other recent books in this emerging terahertz field.

This edition contains carefully selected contributions by leading scientists in high-resolution laser spectroscopy, quantum optics and laser physics. Emphasis is given to ultrafast laser phenomena, implementations of frequency combs, precision spectroscopy and high resolution metrology. Furthermore, applications of the fundamentals of quantum mechanics are widely covered. This book is dedicated to Nobel prize winner Theodor W. Hänsch on the occasion of his 75th birthday. The contributions are reprinted from a topical collection published in Applied Physics B, 2016. Selected contributions are available open access under a CC BY 4.0 license via link.springer.com. Please see the copyright page for further details.

Environmental health has evolved over time into a complex, multidisciplinary field. Many of the key determinants and solutions to environmental health problems lie outside the direct realm of health and are strongly dependent on environmental changes, water and sanitation, industrial development, education, employment, trade, tourism, agriculture, urbanization, energy, housing and national security. Environmental risks, vulnerability and variability manifest themselves in different ways and at different time scales. While there are shared global and transnational problems, each community, country or region faces its own unique environmental health problems, the solution of which depends on circumstances surrounding the resources, customs, institutions, values and environmental vulnerability. This work contains critical reviews and assessments of environmental health practices and research that have worked in places and thus can guide programs and economic development in other countries or regions. The Encyclopedia of Environmental Health seeks to conceptualize the subject more clearly, to describe the best available scientific methods that can be used in characterizing and managing environmental health risks, to extend the field of environmental health through new theoretical perspectives and heightened appreciation of social, economic and political contexts, and to encourage a richer analysis in the field through examples of diverse experiences in dealing with the health-environment interface. The Encyclopedia of Environmental Health contains numerous examples of policy options and environmental health practices that have worked and thus can guide programs in other countries or regions It includes a wide range of tools and strategies that can assist communities and countries in assessing environmental health conditions, monitoring progress of intervention implementation and evaluating outcomes Provides a comprehensive overview of existing knowledge in this emerging field Articles contain summaries and assessments of environmental health practices and research, providing a framework for further research Places environmental health in the broader context of environmental change and related ecological, political, economic, social, and cultural issues

The advent of laser-based sources of ultrafast infrared pulses has extended the study of very fast molecular dynamics to the observation of processes manifested through their effects on the vibrations of molecules. In addition, non-linear infrared spectroscopic techniques make it possible to examine intra- and intermolecular interactions and how such interactions evolve on very fast time scales, but also in some instances on very slow time scales. Ultrafast Infrared Vibrational Spectroscopy is an advanced overview of the field of ultrafast infrared vibrational spectroscopy based on the scientific research of the leading figures in the field. The book discusses experimental and theoretical topics reflecting the latest accomplishments and understanding of ultrafast infrared vibrational spectroscopy. Each chapter provides background, details of methods, and explication of a topic of current research interest. Experimental and theoretical studies cover topics as diverse as the dynamics of water and the dynamics and structure of biological molecules. Methods covered include vibrational echo chemical exchange spectroscopy, IR-Raman spectroscopy, time resolved sum frequency generation, and 2D IR spectroscopy. Edited by a recognized leader in the field and with contributions from top researchers, including experimentalists and theoreticians, this book presents the latest research methods and results. It will serve as an excellent resource for those new to the field, experts in the field, and individuals who want to gain an understanding of particular methods and research topics.

The chemical and biological sciences face unprecedented opportunities in the 21st century. A confluence of factors from parallel universes - advances in experimental techniques in biomolecular structure determination, progress in theoretical modeling and simulation for large biological systems, and breakthroughs in computer technology - has opened new avenues of opportunity as never before. Now, experimental data can be interpreted and further analysed by modeling, and predictions from any approach can be tested and advanced through companion methodologies and technologies. This two volume set describes innovations in biomolecular modeling and simulation, in both the algorithmic and application fronts. With contributions from experts in the field, the books describe progress and innovation in areas including: simulation algorithms for dynamics and enhanced configurational sampling, force field development, implicit solvation models, coarse-grained models, quantum-mechanical simulations, protein folding, DNA polymerase mechanisms, nucleic acid complexes and simulations, RNA structure analysis and design and other important topics in structural biology modeling. The books are aimed at graduate students and experts in structural biology and chemistry and the emphasis is on reporting innovative new approaches rather than providing comprehensive reviews on each subject.

Advances in Biomolecular EPR, Volume 666 in the Methods of Enzymology series, highlights new advances in the field, with this new volume presenting interesting chapters on topics including Magnetic Resonance Characterization of Physiologically Important Metal Ion Binding Sites in the Prion and Related Proteins, The catalytic role of metal-radical/protein-based radicals in heme enzymes, Rigid Cu2+-based spin labels for the study of higher-order DNA G-quadruplex structures, Orthogonal spin labeling and membrane proteins: increasing the information content and going towards in cell applications, Spectroscopic investigation of mono- and di-Mn-containing centers in biochemistry with an emphasis on application of paramagnetic resonance techniques, and more. Additional chapters cover In Vivo pO2 Imaging of Tumors: Oxymetry with Very Low-Frequency Electron Paramagnetic Resonance, an Update, EPR contributions to understanding molybdenum-containing enzymes, EPR spectroscopy of Type I reaction centers, Characterization of a substrate-derived radical in the NosN reaction during the biosynthesis of nosiheptide, and much more. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in Methods in Enzymology series Includes the latest information on Advances in Biomolecular EPR

This compendium presents some of the major applications of neutron scattering techniques to problems in biology. It is a record of the papers presented at the Neutrons in Biology Conference, the third in an occasional series held to highlight progress in the field and to provide a focus for future direction. The strength ofthe neutron scattering technique remains principally in the manipula tion of scattering density through hydrogen and deuterium atoms. The development ofad vanced detectors, innovative instrument and beamline components, and sophisticated data acquisition systems through the 1970s and early 1980s provided a sound foundation for the technique. With continued development, some of the exotic and expensive equipment has become affordable by the medium-sized facilities, thereby broadening the user base considerably. Despite problems with the major neutron sources in the late 1980s and early 1990s, some spectacular results have been achieved. Whilst the high and medium flux beam reac tors will continue to make a major impact in the field, the results from the first experi ments, and the planned developments on spallation neutron sources, clearly indicate that the technique has enormous potential.