Data Analysis for Hyphenated Techniques


Book Description

Based on a concrete set of working MATLAB programs, the book begins with a short program of snippets describing basic principles and proceeds to a complete application program filling a central analytical need: obtaining pure spectra from the observed overlapping spectra, with standard deviations for thesolutions obtained. The strength of the book is the open nature of the programs. All programs can be read, tested and modified by the user. The mathematical principles needed for the proper treatment of experimental data are thoroughly described. The first part of the book describes how data iscollected, converted and prepared for the actual deconvolution. Practical working algorithms such as the Savitzky-Golay smoothing method are emphasized. The reader can see how searches in spectral libraries can be greatly speeded up by proper formulation of the calculation. Basic signal processing is described by illustrative examples. The main part of the book describes the deconvolution of overlapping chromatographic peaks. Principle component analysis is described and used as a useful tool. The main emphasis is a discussion of a deconvolution method, OSCAR (Optimization by Stepwise Constraining of Alternating Regression), developed by the authors. The results can be validated as OSCAR calculates confidence intervals for the spectra and elution curves. For users who do not want to enter the programs by hand a separate CD-ROM is available. It contains the programs and extensive sample data files. The CD-ROM has instructional multimedia showing step by step how the programs are used for the problems in the book. The MATLAB programs and datafiles can be directly run on Windows® and Macintosh® computers having a MATLAB interpreter.




Mass Spectrometry


Book Description

Provides a comprehensive description of mass spectrometry basics, applications, and perspectives Mass spectrometry is a modern analytical technique, allowing for fast and ultrasensitive detection and identification of chemical species. It can serve for analysis of narcotics, counterfeit medicines, components of explosives, but also in clinical chemistry, forensic research and anti-doping analysis, for identification of clinically relevant molecules as biomarkers of various diseases. This book describes everything readers need to know about mass spectrometry—from the instrumentation to the theory and applications. It looks at all aspects of mass spectrometry, including inorganic, organic, forensic, and biological MS (paying special attention to various methodologies and data interpretation). It also contains a list of key terms for easier and faster understanding of the material by newcomers to the subject and test questions to assist lecturers. Knowing how crucial it is for young researchers to fully understand both the power of mass spectrometry and the importance of other complementary methodologies, Mass Spectrometry: An Applied Approach teaches that it should be used in conjunction with other techniques such as NMR, pharmacological tests, structural identification, molecular biology, in order to reveal the true function(s) of the identified molecule. Provides a description of mass spectrometry basics, applications and perspectives of the technique Oriented to a broad audience with limited or basic knowledge in mass spectrometry instrumentation, theory, and its applications in order to enhance their competence in this field Covers all aspects of mass spectrometry, including inorganic, organic, forensic, and biological MS with special attention to application of various methodologies and data interpretation Includes a list of key terms, and test questions, for easier and faster understanding of the material Mass Spectrometry: An Applied Approach is highly recommended for advanced students, young scientists, and anyone involved in a field that utilizes the technique.




Natural Products Isolation


Book Description

The term “natural products” spans an extremely large and diverse range of chemical compounds derived and isolated from biological sources. Our interest in natural products can be traced back thousands of years for their usefulness to humankind, and this continues to the present day. Compounds and extracts derived from the biosphere have found uses in medicine, agriculture, cosmetics, and food in ancient and modern societies around the world. Therefore, the ability to access natural products, understand their usefulness, and derive applications has been a major driving force in the field of natural product research. The first edition of Natural Products Isolation provided readers for the first time with some practical guidance in the process of extraction and isolation of natural products and was the result of Richard Cannell’s unique vision and tireless efforts. Unfortunately, Richard Cannell died in 1999 soon after completing the first edition. We are indebted to him and hope this new edition pays adequate tribute to his excellent work. The first edition laid down the “ground rules” and established the techniques available at the time. Since its publication in 1998, there have been significant developments in some areas in natural product isolation. To capture these developments, publication of a second edition is long overdue, and we believe it brings the work up to date while still covering many basic techniques known to save time and effort, and capable of results equivalent to those from more recent and expensive techniques.




Innovative Methods for Data Analysis in Analytical Chemistry Using Bayesian Statistics and Machine Learning


Book Description

"In analytical chemistry, rapid advancement in instrumentation, especially in high resolution mass-spectrometry is making a significant contribution for further developments of the field. As such, in separation science, nowadays, several hyphenated techniques have proven to be the state-of-the-art techniques for compound identification and characterization. Furthermore, these techniques have found several application areas including biomarker discovery, forensic investigation, food-health research and many others, mainly because of their high sensitivity, selectivity, and scope of analysis. As these techniques advance, the amount of data generated by the high resolution instruments has also increased tremendously, requiring a more sophisticated data analysis techniques to cope with the 'big data', and that can simultaneously extract and utilize the information. Taking into account the benefit of instrument coupling (i.e. LC-HRMS) for better separation and characterization of compounds has already been proven to be the most efficient approach, in the years to come, it can be speculated that even more sophisticated techniques such as liquid chromatography coupled to ion mobility spectrometry, and high resolution mass spectrometer (LC-IMS-HRMS) will be the dominating techniques, expanding the dimensionality and the complexity of the data produced. Thus, more than ever, it's crucial for data analysis techniques to advance a lot faster to manage the computational challenges, and so as to harness the full potential of these promising analytical techniques for routine analysis. The project of this thesis was a joint effort of industry partners involved in forensic, food-safety and material science, and had a common goal and interest in the development of robust data analysis techniques for compound screening.




Sample Preparation for Hyphenated Analytical Techniques


Book Description

Written as an authoritative guide for analytical chemists in universities, research and testing organisations, and the pharmaceutical, agrochemical and speciality chemicals industries, Sample Preparation for Hyphenated Analytical Techniques reviews the sample preparation chemistry that has enabled the present sensitivity, specificity and high throughput available across a range of hyphenated analytical techniques. Furthermore, it illustrates the successful utilization of existing sample preparation methodologies in various analytical applications, and points to areas where new methodologies are required. By dealing with issues wider than those generally found in review papers, this book provides insights that are not available by searching the literature for papers on a specific topic.




Analytical Techniques in Biosciences


Book Description

Analytical Techniques in Biosciences: From Basics to Applications presents comprehensive and up-to-date information on the various analytical techniques obtainable in bioscience research laboratories across the world. This book contains chapters that discuss the basic bioanalytical protocols and sample preparation guidelines. Commonly encountered analytical techniques, their working principles, and applications were presented. Techniques, considered in this book, include centrifugation techniques, electrophoretic techniques, chromatography, titrimetry, spectrometry, and hyphenated techniques. Subsequent chapters emphasize molecular weight determination and electroanalytical techniques, biosensors, and enzyme assay protocols. Other chapters detail microbial techniques, statistical methods, computational modeling, and immunology and immunochemistry. The book draws from experts from key institutions around the globe, who have simplified the chapters in a way that will be useful to early-stage researchers as well as advanced scientists. It is also carefully structured and integrated sequentially to aid flow, consistency, and continuity. This is a must-have reference for graduate students and researchers in the field of biosciences. Presents basic analytical protocols and sample-preparation guidelines Details the various analytical techniques, including centrifugation, spectrometry, chromatography, and titrimetry Describes advanced techniques such as hyphenated techniques, electroanalytical techniques, and the application of biosensors in biomedical research Presents biostatistical tools and methods and basic computational models in biosciences




Practical Data Analysis in Chemistry


Book Description

The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights into data, but analysis or data fitting in chemistry requires the quantitative understanding of chemical processes. The results of this analysis allows the modelling and prediction of processes under new conditions, therefore saving on extensive experimentation. Practical Data Analysis in Chemistry exemplifies every aspect of theory applicable to data analysis using a short program in a Matlab or Excel spreadsheet, enabling the reader to study the programs, play with them and observe what happens. Suitable data are generated for each example in short routines, this ensuring a clear understanding of the data structure. Chapter 2 includes a brief introduction to matrix algebra and its implementation in Matlab and Excel while Chapter 3 covers the theory required for the modelling of chemical processes. This is followed by an introduction to linear and non-linear least-squares fitting, each demonstrated with typical applications. Finally Chapter 5 comprises a collection of several methods for model-free data analyses. * Includes a solid introduction to the simulation of equilibrium processes and the simulation of complex kinetic processes.* Provides examples of routines that are easily adapted to the processes investigated by the reader* 'Model-based' analysis (linear and non-linear regression) and 'model-free' analysis are covered




Mass Spectrometry and Hyphenated Techniques in Neuropeptide Research


Book Description

The first authoritative guide to the application of this vital analytical technique Mass spectrometry is a powerful analytical technique that is used to identify unknown compounds, to quantify known materials, and to elucidate the structural and chemical properties of molecules. In analyzing the effects of experimental drugs on the brain, it is the sole technique for identifying the presence and structure of neuropeptides-substances that indicate the effect of the drug. Mass Spectrometry and Hyphenated Techniques in Neuropeptide Research specifically explains how to apply the technology to this process. Because the book is written by mass spectrometry users, as opposed to mass spectrometrists, the focus remains on practical applications of the technique. The authors demonstrate how mass spectrometry works, how to apply the technique to research, which types of instrumentation should be used for particular requirements, and how to plan experiments. Readers will learn why mass spectrometry provides more outcome features than other techniques in neuropeptide analysis, including simultaneous detection, identification of substances present in mixtures, and sequence information even when the residues are modified, blocked, or unusual. Among the chapters in this comprehensive text are: * Sequencing of Peptides by Nanospray Mass Spectrometry * Laser-Machined Microdevices for Mass Spectrometry * Electron Capture Dissociation of Peptides * Synthesis of Combinatorial Peptide Libraries * Analysis of Tissues That Reflect Nervous System Disease Doctoral students, researchers, and industry professionals in pharmacology, chemistry, biochemistry/biotechnology, and medicine will find Mass Spectrometry and Hyphenated Techniques in Neuropeptide Research to be an indispensable starting point for understanding peptides, their function, and identification.




Directory of Hyphenated Techniques


Book Description

This directory of researchers in hyphenated techniques contains the names and addresses of leading scientists in this developing field and specifies their main interests in developing and/or applying their technique. A geographical index shows what techniques are used in each country.




Technology in Forensic Science


Book Description

The book "Technology in Forensic Science" provides an integrated approach by reviewing the usage of modern forensic tools as well as the methods for interpretation of the results. Starting with best practices on sample taking, the book then reviews analytical methods such as high-resolution microscopy and chromatography, biometric approaches, and advanced sensor technology as well as emerging technologies such as nanotechnology and taggant technology. It concludes with an outlook to emerging methods such as AI-based approaches to forensic investigations.