This book provides a comprehensive overview of Nuclear Magnetic Resonance (NMR) theory, its applications, and advanced techniques to improve the quality and speed of NMR data acquisition. In this book, the author expands his outstanding Ph.D. thesis and provides a valuable resource for researchers, professionals, and students in the field of NMR spectroscopy. The book covers quantum mechanics basics, and topics like density operators, pulse sequences, 1D pulse acquisition, INEPT (Insensitive nuclei enhancement by polarization transfer), product operators, and 2D NMR principles. It also explores innovative experiments like States HSQC (Heteronuclear Single Quantum Coherence) and echo-antiecho HSQC with gradients. In the subsequent chapters, the author discusses Pure Shift NMR, including PSYCHE (Pure Shift Yielded by Chirp Excitation) and its optimizations, such as waveform parameterization and time-reversal methods. The 'Discrete PSYCHE' approach and Ultrafast PSYCHE-iDOSY (Diffusion-ordered spectroscopy) are also highlighted. This book presents the POISE (Parameter Optimisation by Iterative Spectral Evaluation) software for real-time NMR experiment optimization, including pulse width calibration and Ernst angle optimization, and demonstrates applications across various NMR experiments. Lastly, the book examines accelerated 2D NMR data collection and the NOAH (NMR by Ordered Acquisition using 1H detection) supersequences, emphasizing automated pulse program creation using GENESIS (GENEration of Supersequences In Silico). Covered NMR experiments include 13C sensitivity-enhanced HSQC, 15N HMQC (Heteronuclear Multiple Quantum Coherence), dual HSQC, HSQC-TOCSY (Total Correlation Spectroscopy), HMBC (Heteronuclear Multiple Bond Correlation), and ADEQUATE (Adequate Sensitivity Double-Quantum Spectroscopy).

This book is aimed at informing organic chemists and natural products chemists on the use of NMR for structure elucidation to enable them to ensure they yield the most reliable possible data in the minimum possible time. It covers the latest pulse sequences, acquisition and processing methods, practical areas not covered in most texts e.g. detailed consideration of the relative advantages and disadvantages of different pulse sequences, choosing acquisition and processing parameters to get the best possible data in the least possible time, pitfalls to avoid and how to minimize the risks of getting wrong structures. Useful in industrial, pharma or research environments, this reference book is for anyone involved with organic chemistry research and, in particular, natural products research requiring advice for getting the best results from the NMR facilities.

It is a pleasure for us to present the contributions of the First International Symposium on Medical Data Analysis. Traditionally, the eld of medical data analysis can be devided into classical topics such as medical statistics, sur- val analysis, biometrics and medical informatics. Recently, however, time series analysis by physicists, machine learning and data mining with methods such as neural networks, Bayes networks or fuzzy computing by computer scientists have contributed important ideas to the led of medical data analysis. Although all these groups have similar intentions, there was nearly no exchange or discussion between them. With the growing possibilities for storing and ana- zing patient data, even in smaller health care institutions, the need for a rational treatment of all these data emerged as well. Therefore, the need for data exchange and presentation systems grew also. The goal of the symposium is to collect all these relevant aspects together. It provides an international forum for the sharing and exchange of original re- arch results, ideas and practical experiences among researchers and application developers from di erent areas related to medical applications dealing with the analysis of medical data. After a thorough reviewing process, 33 high quality papers were selected from the 45 international submissions. These contributions provided the di erent - pects of the eld in order to represent us with an exciting program.

Green chemistry and chemical engineering belong together and this twelth volume in the successful Handbook of Green Chemistry series represents the perfect one-stop reference on the topic. Written by an international team of specialists with each section edited by international leading experts, this book provides first-hand insights into the field, covering chemical engineering process design, innovations in unit operations and manufacturing, biorefining and much more besides. An indispensable source for every chemical engineer in industry and academia.

Annual Reports on NMR Spectroscopy, Volume 100, is a premier resource for both specialists and non-specialists who are looking to become familiar with new techniques and applications in NMR spectroscopy. Chapters in this new release cover In Operando NMR Studies, Recent Developments in Automotive Differential Analysis of NMR Results, Applications of SIMPSON to NMR Studies of Peptides and Proteins, Recent Developments in NMR Line Shape Analysis, and more. Serves as the premier resource for learning the new techniques and applications of NMR spectroscopy Provides a key reference for chemists and physicists using NMR spectroscopy to study the structure and dynamics of molecules Covers all aspects of molecular science, including MRI (Magnetic Resonance Imaging)

Nuclear Magnetic Resonance (NMR) spectroscopy, a physical phenomenon based upon the magnetic properties of certain atomic nuclei, has found a wide range of applications in life sciences over recent decades. This up-to-date volume covers NMR techniques and their application to proteins, with a focus on practical details. Providing newcomers to NMR with practical guidance to carry out successful experiments with proteins and analyze the resulting spectra, those familiar with the chemical applications of NMR will also find it useful in understanding the special requirements of protein NMR.

The articles that comprise this distinguished annual volume for the Advances in Mechanics and Mathematics series have been written in honor of Gilbert Strang, a world renowned mathematician and exceptional person. Written by leading experts in complementarity, duality, global optimization, and quantum computations, this collection reveals the beauty of these mathematical disciplines and investigates recent developments in global optimization, nonconvex and nonsmooth analysis, nonlinear programming, theoretical and engineering mechanics, large scale computation, quantum algorithms and computation, and information theory.

The only topical HPLC book to focus on optimization, this volume addresses the needs of HPLC users who wish to constantly improve their methods, in particular in terms of throughput, accuracy and cost-effectiveness. This handbook features contributions from such bestselling authors as John W. Dolan, Michael McBrien, Veronika R. Meyer, Uwe D. Neue, Lloyd R. Snyder, and Klaus K. Unger, as well as from scientists working for major companies, including Agilent, AstraZeneca, Merck, Schering, Tosoh Biosep, VWR, and Waters. It covers essential aspects of optimization in general, optimization in different LC-modi, hyphenated techniques and computer-aided optimization. The whole is rounded off with a section of user reports.

The fully up-dated edition of the two-volume work covers both the theoretical foundation as well as the practical aspects. Presenting the complete insight into driving a chemical reaction provides a deep understanding for new potential technologies. Updated overview on devices and new key concepts of experimental procedures. Vol. 2: Applications.

A large number of mathematical models in many diverse areas of science and engineering have lead to the formulation of optimization problems where the best solution (globally optimal) is needed. This book covers a small subset of important topics in global optimization with emphasis on theoretical developments and scientific applications.