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Spectroscopy And Modeling Of Biomolecular Building Blocks

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Spectroscopy and Modeling of Biomolecular Building Blocks

Spectroscopy and Modeling of Biomolecular Building Blocks Book
Author : Jean-Pierre Schermann
Publisher : Elsevier
Release : 2007-10-16
ISBN : 9780080558226
Language : En, Es, Fr & De

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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

Gas Phase IR Spectroscopy and Structure of Biological Molecules

Gas Phase IR Spectroscopy and Structure of Biological Molecules Book
Author : Anouk M. Rijs,Jos Oomens
Publisher : Springer
Release : 2015-06-03
ISBN : 3319192043
Language : En, Es, Fr & De

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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.

Advances in Atomic Molecular and Optical Physics

Advances in Atomic  Molecular  and Optical Physics Book
Author : Susanne F. Yelin,Louis F. Dimauro,Helene Perrin
Publisher : Academic Press
Release : 2020-06-17
ISBN : 0128209887
Language : En, Es, Fr & De

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Book Description :

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

Jet FTIR Spectroscopy of Biomolecular Model Systems

Jet FTIR Spectroscopy of Biomolecular Model Systems Book
Author : Corey Allen Rice
Publisher : Cuvillier Verlag
Release : 2007
ISBN : 3867273979
Language : En, Es, Fr & De

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Book Description :

Download Jet FTIR Spectroscopy of Biomolecular Model Systems book written by Corey Allen Rice, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Fluorescent Analogs of Biomolecular Building Blocks

Fluorescent Analogs of Biomolecular Building Blocks Book
Author : Marcus Wilhelmsson
Publisher : John Wiley & Sons
Release : 2016-04-04
ISBN : 1118175867
Language : En, Es, Fr & De

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Book Description :

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.

Modern Techniques of Spectroscopy

Modern Techniques of Spectroscopy Book
Author : Dheeraj Kumar Singh,Manik Pradhan,Arnulf Materny
Publisher : Springer Nature
Release : 2021-05-15
ISBN : 9813360844
Language : En, Es, Fr & De

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Book Description :

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 Strategies for Spectroscopy

Computational Strategies for Spectroscopy Book
Author : Vincenzo Barone
Publisher : John Wiley & Sons
Release : 2011-11-22
ISBN : 0470470178
Language : En, Es, Fr & De

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Book Description :

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.

Intra and Intermolecular Interactions between Non covalently Bonded Species

Intra  and Intermolecular Interactions between Non covalently Bonded Species Book
Author : Elliot R. Bernstein
Publisher : Elsevier
Release : 2020-09-10
ISBN : 0128175877
Language : En, Es, Fr & De

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Book Description :

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.

Physical Chemistry of Cold Gas Phase Functional Molecules and Clusters

Physical Chemistry of Cold Gas Phase Functional Molecules and Clusters Book
Author : Takayuki Ebata,Masaaki Fujii
Publisher : Springer
Release : 2019-08-02
ISBN : 9811393710
Language : En, Es, Fr & De

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Book Description :

This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.

Electronic Structure Optical Properties and Long Range Interaction Driven Mesoscale Assembly

Electronic Structure  Optical Properties and Long Range Interaction Driven Mesoscale Assembly Book
Author : Yingfang Ma
Publisher : Unknown
Release : 2017
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

The construction of mesoscale assemblies using a bottom-up approach is an emerging research area in recent years, while understanding the interactions that control the organization of the constructing building blocks turns out to be a prerequisite for effective assembly design. The intrinsic electronic structures of materials determine their optical properties, which give rise to long-range interactions including electrostatic and van der Waals (vdW) components. And electrostatic along with vdW interactions, are the fundamental interactions that drive mesoscale assembly. In this research, the long range interactions of inorganic material and bio-molecules are investigated using bothexperiment and computation optical methods, and then a functional mesoscale assembly based on an inorganic substrate and biomolecular particles are built. In terms of the inorganic material, the full spectral optical properties and van der Waals-London interaction of bulk SiC crystal is investigated with a combination of vacuum ultravioletspectroscopy and Liftshiz theory-based Hamaker coefficient calculation, and compared with OLCAO electronic structure calculations of the band structure and ab initio optical properties of SiC. Cylindrical biomolecules, DNA, is selected as a biomolecular example. The effect of nitrogen base polarizability on the optical properties and electronicstructures of double-strand DNA are studied by optical characterization and ab initio density functional theory modeling; then G-quadruplex DNA consisting of human telomere sequence are characterized by spectroscopy, static light scattering and ab initio modeling, and compared with corresponding double-strand DNA, giving rise to thestructural dependent electronic structures and pH dependent pair-wise interactions. Finally, the first semi-ordered, layered, mesoscale self-assembly capable of photon management comprised of plant viruses is created and characterized. Anti-reflection and photon-trapping properties are demonstrated theoretically using computational optics modeling and experimentally using spectroscopy. I expect the methodologists and conclusions in this research will bring useful insights into the understanding of building blocks and the design of meso-scale assemblies.

Structure Elucidation in Organic Chemistry

Structure Elucidation in Organic Chemistry Book
Author : Maria-Magdalena Cid,Jorge Bravo
Publisher : John Wiley & Sons
Release : 2015-01-05
ISBN : 3527664637
Language : En, Es, Fr & De

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Book Description :

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.

Differentiation of Enantiomers II

Differentiation of Enantiomers II Book
Author : Volker Schurig
Publisher : Springer
Release : 2014-07-08
ISBN : 3319037161
Language : En, Es, Fr & De

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Book Description :

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.

Photophysics of Ionic Biochromophores

Photophysics of Ionic Biochromophores Book
Author : Steen Brøndsted Nielsen,Jean Ann Wyer
Publisher : Springer Science & Business Media
Release : 2013-10-16
ISBN : 3642401902
Language : En, Es, Fr & De

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Book Description :

This book provides a concise overview of the photophysics and spectroscopy of bio chromophore ions. The book "Photophysics of Ionic Biochromophores" summarizes important recent advances in the spectroscopy of isolated biomolecular ions in vacuo, which has within the last decade become a highly active research field. Advanced instrumental apparatus and the steady increase in more and more powerful computers have made this development possible, both for experimentalists and theoreticians. Applied techniques described here include absorption and fluorescence spectroscopy, which are excellent indicators of environmental effects and can thus shed light on the intrinsic electronic structures of ions without perturbations from e.g. water molecules, counter ions, nearby charges, and polar amino acid residues. When compared with spectra of the chromophores in their natural environment, such spectra allow to identify possible perturbations. At the same time gas-phase spectra provide important benchmarks for quantum chemistry calculations of electronically excited states. This volume focuses on biological systems from protein biochromophores, e.g. the protonated Schiff-base retinal responsible for vision, and individual aromatic amino acids to peptides and whole proteins, studied using visible, ultraviolet and vacuum ultraviolet light. Work on DNA nucleotides and strands that are amenable to mass spectrometric studies because of the negatively charged sugarphosphate backbone are also presented. DNA strands represent an example of the interplay between multiple chromophores, which is even harder to model correctly than just single chromophores due to spatially extended excited states and weak coupling terms. The experimental techniques used to measure spectra and commonly used theoretical methods are described with a discussion on limitations and advantages. The volume includes an updated status of the field and interesting future directions such as cold ion spectroscopy.

Terahertz Spectroscopy

Terahertz Spectroscopy Book
Author : Susan L. Dexheimer
Publisher : CRC Press
Release : 2007-12-22
ISBN : 9781420007701
Language : En, Es, Fr & De

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Book Description :

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.

Encyclopedia of Spectroscopy and Spectrometry

Encyclopedia of Spectroscopy and Spectrometry Book
Author : Anonim
Publisher : Academic Press
Release : 2010-04-09
ISBN : 9780080922171
Language : En, Es, Fr & De

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Book Description :

The Second Edition of the Encyclopedia of Spectroscopy and Spectrometry pulls key information into a single source for quick access to answers and/or in-depth examination of topics. "SPEC-2" covers theory, methods, and applications for researchers, students, and professionals—combining proven techniques and new insights for comprehensive coverage of the field. The content is available in print and online via ScienceDirect, the latter of which offers optimal flexibility, accessibility, and usability through anytime, anywhere access for multiple users and superior search functionality. No other work gives analytical and physical (bio)chemists such unprecedented access to the literature. With 30% new content, SPEC-2 maintains the "authoritative, balanced coverage" of the original work while also breaking new ground in spectroscopic research. Incorporates more than 150 color figures, 5,000 references, and 300 articles (30% of which are new), for a thorough examination of the field Highlights new research and promotes innovation in applied areas ranging from food science and forensics to biomedicine and health Features a new co-editor: David Koppenaal of Pacific Northwest National Laboratory, Washington, USA, whose work in atomic mass spectrometry has been recognized internationally

Coarse Grained Modeling of Biomolecules

Coarse Grained Modeling of Biomolecules Book
Author : Garegin A. Papoian
Publisher : CRC Press
Release : 2017-10-30
ISBN : 1466576170
Language : En, Es, Fr & De

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Book Description :

"The chapters in this book survey the progress in simulating biomolecular dynamics.... The images conjured up by this work are not yet universally loved, but are beginning to bring new insights into the study of biological structure and function. The future will decide whether this scientific movement can bring forth its Picasso or Modigliani." –from the Foreword by Peter G. Wolynes, Bullard-Welch Foundation Professor of Science, Rice University This book highlights the state-of-art in coarse-grained modeling of biomolecules, covering both fundamentals as well as various cutting edge applications. Coarse-graining of biomolecules is an area of rapid advances, with numerous new force fields having appeared recently and significant progress made in developing a systematic theory of coarse-graining. The contents start with first fundamental principles based on physics, then survey specific state-of-art coarse-grained force fields of proteins and nucleic acids, and provide examples of exciting biological problems that are at large scale, and hence, only amenable to coarse-grained modeling. Introduces coarse-grained models of proteins and nucleic acids. Showcases applications such as genome packaging in nuclei and understanding ribosome dynamics Gives the physical foundations of coarse-graining Demonstrates use of models for large-scale assemblies in modern studies Garegin A. Papoian is the first Monroe Martin Associate Professor with appointments in the Department of Chemistry and Biochemistry and the Institute for Physical Science and Technology at the University of Maryland.

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes Book
Author : Adam Liwo
Publisher : Springer
Release : 2018-12-19
ISBN : 3319958437
Language : En, Es, Fr & De

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Book Description :

This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.

Advanced Fragmentation Methods in Biomolecular Mass Spectrometry

Advanced Fragmentation Methods in Biomolecular Mass Spectrometry Book
Author : Frederik Lermyte
Publisher : Royal Society of Chemistry
Release : 2020-12-15
ISBN : 1839161043
Language : En, Es, Fr & De

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Book Description :

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.

Nucleic Acids in the Gas Phase

Nucleic Acids in the Gas Phase Book
Author : Valérie Gabelica
Publisher : Springer
Release : 2014-07-28
ISBN : 3642548423
Language : En, Es, Fr & De

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Book Description :

This book gives physical chemists a broader view of potential biological applications of their techniques for the study of nucleic acids in the gas phase. It provides organic chemists, biophysicists, and pharmacologists with an introduction to new techniques they can use to find the answers to yet unsolved questions. Laboratory sciences have bloomed with a variety of techniques to decipher the properties of the molecules of life. This volume introduces techniques used to investigate the properties of nucleic acids in the absence of solvent. It highlights the specificities pertaining to the studies of nucleic acids, although some of the techniques can similarly be applied to the study of other biomolecules, like proteins. The first part of the book introduces the techniques, from the transfer of nucleic acids to the gas-phase, to their detailed physico-chemical investigation. Each chapter is devoted to a specific molecular property, and illustrates how various approaches (experimental and theoretical) can be combined for the interpretation. The second part of the book is devoted to applying the gas-phase approaches to solve specific questions related to the biophysics, biochemistry or pharmacology of nucleic acids.

Ultrafast Infrared Vibrational Spectroscopy

Ultrafast Infrared Vibrational Spectroscopy Book
Author : Michael D. Fayer
Publisher : CRC Press
Release : 2013-03-04
ISBN : 1466510145
Language : En, Es, Fr & De

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Book Description :

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.