Download or read book Multivariate Methods in Chromatography written by Tibor Cserhati and published by John Wiley & Sons. This book was released on 2008-09-15 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive, compilation and evaluation of the newest results in the field of enumerate evaluation of chromatographic data Aimed at the practicing professional, researchers and advanced students working in this area Special emphasis on practical applications While the principles of chromatography and multivariate mathematical-statistical methods are discussed separately, the book focuses on their interconnection. Written by a chromatographer for chromatographers

Download or read book Data Analysis and Signal Processing in Chromatography written by A. Felinger and published by Elsevier. This book was released on 1998-05-19 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an overview of the numerical data analysis and signal treatment techniques that are used in chromatography and related separation techniques. Emphasis is given to the description of the symmetrical and asymmetrical chromatographic peak shape models. Both theoretical and empirical models are discussed.The fundamentals of data acquisition, types and effect of baseline noise, and methods of improving the signal-to-noise ratio (either in time or in frequency and wavelet domain) are thoroughly discussed. Resolution enhancement techniques, such as curve fitting, deconvolution by Fourier and wavelet transforms, iterative deconvolution, Kalman filtering and multivariate methods of curve resolution are all discussed with several chromatographic examples. Quantitative analysis by peak area of peak height measurement, the precision and accuracy of the quantitation of stand-alone or overlapping and symmetrical or asymmetrical peaks are treated. In a separate chapter, guidelines are given for the use of transform techniques for the analysis of chromatograms. A statistical description of peak overlap is given in the final chapters. Since the concept of resolution has to be reconsidered when one separates complex mixtures, the problem of resolution and overlap is quantitatively discussed by means of statistical methods, and by using Fourier analysis of the complex chromatogram.Features of this book• The ultimate source of numerical techniques to enhance chromatographic data• Gives a detailed description of signal and resolution enhancement techniques in a manner applicable for enhancing not only chromatography, but also spectroscopic and other analytical signals• The first book with a thorough overview of the statistics of peak overlap.This is the first volume to encompass both the simple and more sophisticated methods for the numerical treatment of chromatograms. It is, therefore, the fundamental resource of numerical analysis methods for every analyst.

Download or read book Chemometrics and Data Analysis in Chromatography written by Vu Dang Hoang and published by . This book was released on 2019-03-20 with total page 118 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chromatography approaches are widely used in various life science applications. Since its invention by the Russian botanist Mikhail S. Tsvet in 1901, chromatography has increasingly developed into an invaluable laboratory tool for the separation and identification of chemical components. It outperforms older techniques (such as crystallization, solvent extraction, and distillation) by offering unequaled resolving power and the possibility of lowering detection limits to below nanogram levels. To further improve chromatographic methods, however, the use of chemometrics is advisable as an economical alternative to resolve any problematic situations in analysis. This book intends to provide the readers with an up-to-date application of chemometrics and data analysis to different types of chromatographic methods.

Download or read book Chemometric Approaches to Method Validation in Liquid Chromatography for Pharmaceutical Analysis written by Daemon Lincoln and published by . This book was released on 1994 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt: The successful hyphenation of chromatographic and spectroscopic methods in recent years has led to highly flexible separation systems, offering levels of selectivity and sensitivity previously unattainable. In addition to this, computer-aided hyphenated systems, typically LC-DAD and LC-MS, are making a major impact in the pharmaceutical industry, leading to novel techniques for on-line and off-line analytical method validation. In particular, a wide variety of both univariate and multivariate data processing methods have been developed for the critical area of peak homogeneity assessment in liquid chromatography. Theoretical considerations presented here would seem to indicate that significant gains in detection sensitivity for minor co-eluting impurities should be possible by employing LC-MS, as opposed to LC-DAD. This work also assesses the performance of several established multivariate statistical techniques for peak purity analysis against that of a newly developed approach, the K-Function. This is achieved by utilising real data sets from a reversed-phase LC-MS system for two solutes with identical UV-absorption spectra, and for a standard LC-DAD system with two solutes whose UV-absorption spectra are very similar (tilda 0.99). Simulated data sets are generated that allow the influence of chromatographic resolution, the minor component level, spectral correlation and signal-to-noise ratio to be Systematically investigated. Furthermore, the relevance of the differential information content of thermospray, particle beam-chemical ionisation and particle beam-electron impact mass spectra is considered with respect to the performance of multivariate techniques for peak purity assessment.

Download or read book Application of Multivariate Data Analysis Techniques to the Design and Scale up of Liquid Chromatography written by and published by . This book was released on 2010 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Chemometrics in Chromatography written by Łukasz Komsta and published by CRC Press. This book was released on 2018-02-02 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics uses advanced mathematical and statistical algorithms to provide maximum chemical information by analyzing chemical data, and obtain knowledge of chemical systems. Chemometrics significantly extends the possibilities of chromatography and with the technological advances of the personal computer and continuous development of open-source software, many laboratories are interested in incorporating chemometrics into their chromatographic methods. This book is an up-to-date reference that presents the most important information about each area of chemometrics used in chromatography, demonstrating its effective use when applied to a chromatographic separation.

Download or read book Multivariate Calibration written by Harald Martens and published by John Wiley & Sons. This book was released on 1992-08-07 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multivariate Calibration Harald Martens, Chemist, Norwegian Food Research Institute, Aas, Norway and Norwegian Computing Center, Oslo, Norway Tormod Næs, Statistician, Norwegian Food Research Institute, Aas, Norway The aim of this inter-disciplinary book is to present an up-to-date view of multivariate calibration of analytical instruments, for use in research, development and routine laboratory and process operation. The book is intended to show practitioners in chemistry and technology how to extract the quantitative and understandable information embedded in non-selective, overwhelming and apparently useless measurements by multivariate data analysis. Multivariate calibration is the process of learning how to combine data from several channels, in order to overcome selectivity problems, gain new insight and allow automatic outlier detection. Multivariate calibration is the basis for the present success of high-speed Near-Infrared (NIR) diffuse spectroscopy of intact samples. But the technique is very general: it has shown similar advantages in, for instance, UV, Vis, and IR spectrophotometry, (transmittance, reflectance and fluorescence), for x-ray diffraction, NMR, MS, thermal analysis, chromatography (GC, HPLC) and for electrophoresis and image analysis (tomography, microscopy), as well as other techniques. The book is written at two levels: the main level is structured as a tutorial on the practical use of multivariate calibration techniques. It is intended for university courses and self-study for chemists and technologists, giving one complete and versatile approach, based mainly on data compression methodology in self-modelling PLS regression, with considerations of experimental design, data pre-processing and model validation. A second, more methodological, level is intended for statisticians and specialists in chemometrics. It compares several alternative calibration methods, validation approaches and ways to optimize the models. The book also outlines some cognitive changes needed in analytical chemistry, and suggests ways to overcome some communication problems between statistics and chemistry and technology.

Download or read book Multivariate Analysis of Progressive Thermal Desorption Coupled Gas Chromatography mass Spectrometry written by and published by . This book was released on 2010 with total page 31 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermal decomposition of poly dimethyl siloxane compounds, Sylgard{reg_sign} 184 and 186, were examined using thermal desorption coupled gas chromatography-mass spectrometry (TD/GC-MS) and multivariate analysis. This work describes a method of producing multiway data using a stepped thermal desorption. The technique involves sequentially heating a sample of the material of interest with subsequent analysis in a commercial GC/MS system. The decomposition chromatograms were analyzed using multivariate analysis tools including principal component analysis (PCA), factor rotation employing the varimax criterion, and multivariate curve resolution. The results of the analysis show seven components related to offgassing of various fractions of siloxanes that vary as a function of temperature. Thermal desorption coupled with gas chromatography-mass spectrometry (TD/GC-MS) is a powerful analytical technique for analyzing chemical mixtures. It has great potential in numerous analytic areas including materials analysis, sports medicine, in the detection of designer drugs; and biological research for metabolomics. Data analysis is complicated, far from automated and can result in high false positive or false negative rates. We have demonstrated a step-wise TD/GC-MS technique that removes more volatile compounds from a sample before extracting the less volatile compounds. This creates an additional dimension of separation before the GC column, while simultaneously generating three-way data. Sandia's proven multivariate analysis methods, when applied to these data, have several advantages over current commercial options. It also has demonstrated potential for success in finding and enabling identification of trace compounds. Several challenges remain, however, including understanding the sources of noise in the data, outlier detection, improving the data pretreatment and analysis methods, developing a software tool for ease of use by the chemist, and demonstrating our belief that this multivariate analysis will enable superior differentiation capabilities. In addition, noise and system artifacts challenge the analysis of GC-MS data collected on lower cost equipment, ubiquitous in commercial laboratories. This research has the potential to affect many areas of analytical chemistry including materials analysis, medical testing, and environmental surveillance. It could also provide a method to measure adsorption parameters for chemical interactions on various surfaces by measuring desorption as a function of temperature for mixtures. We have presented results of a novel method for examining offgas products of a common PDMS material. Our method involves utilizing a stepped TD/GC-MS data acquisition scheme that may be almost totally automated, coupled with multivariate analysis schemes. This method of data generation and analysis can be applied to a number of materials aging and thermal degradation studies.

Download or read book Chemometrics in Food Chemistry written by Anna de Juan and published by Elsevier Inc. Chapters. This book was released on 2013-06-08 with total page 41 pages. Available in PDF, EPUB and Kindle. Book excerpt: The term multivariate curve resolution (MCR) designates a family of methods devoted to solving the mixture analysis problem in multicomponent samples. MCR provides the qualitative and quantitative contribution (profile) of each of the compounds in a sample from the sole information of the raw experimental data acquired. Food analysis is about knowing the qualitative and quantitative composition of foodstuffs and, hence, MCR fits very well in this scenario. Typical problems related to food analysis that can be solved by MCR are the identification and analytical determination of target compounds in the presence of unknown interferences/compounds, obtaining food fingerprint information to be used for authentication, adulteration or other purposes, and the interpretation of food processes. All these situations can be solved by handling measurements as simple as a data table with one spectrum (response) per sample or as complex as flexible multiset structures formed by several data tables (e.g. excitation/emission spectra, hyphenated separation techniques: high-performance liquid chromatography with diode array detection, liquid chromatography or gas chromatography–mass spectrometry, etc.), each of them related to a sample or to a particular food condition.

Download or read book Preparative Chromatography for Separation of Proteins written by Arne Staby and published by John Wiley & Sons. This book was released on 2017-03-06 with total page 577 pages. Available in PDF, EPUB and Kindle. Book excerpt: Preparative Chromatography for Separation of Proteins addresses a wide range of modeling, techniques, strategies, and case studies of industrial separation of proteins and peptides. • Covers broad aspects of preparative chromatography with a unique combination of academic and industrial perspectives • Presents Combines modeling with compliantce useing of Quality-by-Design (QbD) approaches including modeling • Features a variety of chromatographic case studies not readily accessible to the general public • Represents an essential reference resource for academic, industrial, and pharmaceutical researchers

Download or read book The Use of Multivariate Statistical Methods with Chromatographic Data written by Ian Nigel Wakeling and published by . This book was released on 1987 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Chemometric Analysis of Multivariate Liquid Chromatography Data written by Sarah Elizabeth Graham Porter and published by . This book was released on 2006 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Multivariate Calibration of Retention in Reversed phase Liquid Chromatography written by Aosheng Wang and published by . This book was released on 2001 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Multidimensional Chromatography written by Hernan J. Cortes and published by CRC Press. This book was released on 2020-07-24 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes all the important aspects of multidimensional separations, providing information on gas, liquid and thin-layer chromatography, as well as the techniques and applications of supercritical fluid chromatography in the multidimensional mode.

Download or read book Mass Spectrometry Based Metabolomics in Clinical and Herbal Medicines written by Aihua Zhang and published by John Wiley & Sons. This book was released on 2021-08-20 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Highlights the importance and benefit of mass spectrometry-based metabolomics for identifying biomarkers that accurately screen for potential biomarkers of diseases Mass spectrometry-based metabolomics offer new opportunities for biomarker discovery in complex diseases and may provide pathological understanding of diseases beyond traditional technologies. It is the systematic analysis of low-molecular-weight metabolites in biological samples and has been applied to discovering and identifying the perturbed pathways. Currently, mass spectrometry-based metabolomics has become an important tool in clinical research and the diagnosis of human disease. Mass Spectrometry-Based Metabolomics in Clinical and Herbal Medicines comprehensively presents the current state, challenges, and applications of high-throughput mass spectrometry-based metabolomics such as metabolites analysis, biomarker discovery, technical challenges, discovery of natural product, mechanism interpretation of action, discovery of active ingredients, clinical application and precision medicine, and enhancing their biomedical value in a real world of biomedicine, shedding light on the potential for spectrometry-based metabolomics. It highlights the value of mass spectrometry-based metabolomics and metabolism to address the complexity of herbal medicines in systems pharmacology, especially, to link phytochemical analysis with the assessment of pharmacological effect and therapeutic potential. Each chapter has been laid out with introduction, method, up-to-date literature, identification of biomarker, and applications Covers the current state, challenges, and applications of high-throughput mass spectrometry-based metabolomics in the discovery of biomarker, active ingredients, natural product, etc. Constitutes a unique and indispensable practical guide for any phytochemistry or related laboratory, and provides hands-on description of new techniques Provides a guide for new practitioners of pharmacologists, pharmacological scholars, drug developers, botanist, researchers of traditional medicines. Mass Spectrometry-Based Metabolomics in Clinical and Herbal Medicines provides a landmark of mass spectrometry-based metabolomics research and a beneficial guideline to graduate students and researchers in academia, industry, and technology transfer organizations in all biomedical science fields.

Download or read book Fire Debris Analysis written by Eric Stauffer and published by Academic Press. This book was released on 2007-12-10 with total page 683 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of fire debris analysis is vital to the function of all fire investigations, and, as such, Fire Debris Analysis is an essential resource for fire investigators. The present methods of analysis include the use of gas chromatography and gas chromatography-mass spectrometry, techniques which are well established and used by crime laboratories throughout the world. However, despite their universality, this is the first comprehensive resource that addresses their application to fire debris analysis.Fire Debris Analysis covers topics such as the physics and chemistry of fire and liquid fuels, the interpretation of data obtained from fire debris, and the future of the subject. Its cutting-edge material and experienced author team distinguishes this book as a quality reference that should be on the shelves of all crime laboratories. - Serves as a comprehensive guide to the science of fire debris analysis - Presents both basic and advanced concepts in an easily readable, logical sequence - Includes a full-color insert with figures that illustrate key concepts discussed in the text

Download or read book Chemometric Approach to the Experiment Optimization and Data Evaluation in Analytical Chemistry written by Dr Antonije E. Onjia and published by Tehnološko-metalurški falkultet, Beograd, Institut za nuklearne nauke VINČA. This book was released on 2017-10-03 with total page 151 pages. Available in PDF, EPUB and Kindle. Book excerpt: