Chemometric Approach to the Experiment Optimization and Data Evaluation in Analytical Chemistry PDF Download
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Author: Dr Antonije E. Onjia
Publisher: Tehnološko-metalurški falkultet, Beograd, Institut za nuklearne nauke VINČA
ISBN: 8674013384
Category :
Languages : en
Pages : 151
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Book Description
Author: Dr Antonije E. Onjia
Publisher: Tehnološko-metalurški falkultet, Beograd, Institut za nuklearne nauke VINČA
ISBN: 8674013384
Category :
Languages : en
Pages : 151
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Book Description
Author: Richard G. Brereton
Publisher: John Wiley & Sons
ISBN: 1118904680
Category : Science
Languages : en
Pages : 464
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Book Description
A new, full-color, completely updated edition of the key practical guide to chemometrics This new edition of this practical guide on chemometrics, emphasizes the principles and applications behind the main ideas in the field using numerical and graphical examples, which can then be applied to a wide variety of problems in chemistry, biology, chemical engineering, and allied disciplines. Presented in full color, it features expansion of the principal component analysis, classification, multivariate evolutionary signal and statistical distributions sections, and new case studies in metabolomics, as well as extensive updates throughout. Aimed at the large number of users of chemometrics, it includes extensive worked problems and chapters explaining how to analyze datasets, in addition to updated descriptions of how to apply Excel and Matlab for chemometrics. Chemometrics: Data Driven Extraction for Science, Second Edition offers chapters covering: experimental design, signal processing, pattern recognition, calibration, and evolutionary data. The pattern recognition chapter from the first edition is divided into two separate ones: Principal Component Analysis/Cluster Analysis, and Classification. It also includes new descriptions of Alternating Least Squares (ALS) and Iterative Target Transformation Factor Analysis (ITTFA). Updated descriptions of wavelets and Bayesian methods are included. Includes updated chapters of the classic chemometric methods (e.g. experimental design, signal processing, etc.) Introduces metabolomics-type examples alongside those from analytical chemistry Features problems at the end of each chapter to illustrate the broad applicability of the methods in different fields Supplemented with data sets and solutions to the problems on a dedicated website Chemometrics: Data Driven Extraction for Science, Second Edition is recommended for post-graduate students of chemometrics as well as applied scientists (e.g. chemists, biochemists, engineers, statisticians) working in all areas of data analysis.
Author: Alexey L. Pomerantsev
Publisher: Nova Publishers
ISBN: 9781594542572
Category : Chemometrics
Languages : en
Pages : 342
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Book Description
Chemometrics is the chemical discipline that uses mathematical, statistical and other methods employing formal logic: to design or select optimal measurement procedures and experiments, and -- to provide maximum relevant chemical information by analysing chemical data. Being conceived as a branch of analytical chemistry, chemometrics now is a general approach. It extracts relevant information out of measured data, regardless of their origin: chemical, physical, biological, etc. Chemometrics has been applied in different areas, and most successfully in multivariate calibration, pattern recognition, classification and discriminant analysis, multivariate modelling, and monitoring of processes. The main chemometric principle is a concept of hidden data structures that can be found using methods of multivariate data analysis. These are the well-known statistic tools such as partial least squares (PLS), soft independent modelling of class analogy (SIMCA), principal-component regression (PCR), wavelet analysis, and many others. Current activities of chemometricians fall into two main categories: (1) development of new methods for manipulating multivariate data and (2) new applications of the known chemometric techniques in different areas such as environment control, food industry, agriculture, medicine, and engineering.
Author: Aderval S. Luna
Publisher: Nova Science Publishers
ISBN: 9781536105186
Category : Analytical chemistry
Languages : en
Pages : 0
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Book Description
This book offers an accessible introduction to application-oriented multivariate methods of data analysis and procedures that are highly beneficial to solving a variety of problems by using analytical chemistry and statistics. It presents a diverse selection of topics that include experimental designs applied for the optimisation of liquid chromatographic and capillary electrophoresis, variable selection in chemical data, calibration of the first order: data, algorithms, and analytical applications, characterisation of polyphenols from natural products using separation techniques coupled with chemometrics, detection of malignant tumors using FT-IR spectroscopy combined with chemometrics, guidelines in synthesis of new anticancer compounds, direct analysis of solid samples by spectroscopy and chromatographic techniques, application of data fusion in different levels with examples, and analysis of pharmaceutical and food products by various analytical techniques. This book helps thereader embrace the growing role of chemometrics in some of the latest research trends, such as characterisation of polyphenolic compounds in natural, pharmaceutical, and food products in analytical problems, such as classification and quantification using the multivariate calibration of the second order. This book also identifies several areas for future development and applications. The chapters are written by leading experts. Chemometrics: Methods, Applications, and New Research offers a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analysing scientific data.
Author: A. Dijkstra
Publisher: Elsevier
ISBN: 9780080875484
Category : Science
Languages : en
Pages : 593
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Book Description
Evaluation and Optimization of Laboratory Methods and Analytical Procedures
Author: Ed Morgan
Publisher: Wiley-Blackwell
ISBN:
Category : Science
Languages : en
Pages : 304
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Book Description
Explores experimental design and its use in statistical analysis. Divided into five parts, it covers the statistical methods used in experimental design; introduces randomization, replication and blocking; explores designs with more than one factor focusing chiefly on two-level designs; examines fractional factorial designs; and discusses response surface methodology. Written by some of the foremost lecturers in analytical chemistry and designed for those who wish to study in a more flexible way than possible in traditional institutional learning.
Author: Marcello Locatelli
Publisher: MDPI
ISBN: 3039367862
Category : Technology & Engineering
Languages : en
Pages : 224
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Book Description
In the field of Analytical Chemistry and, in particular, whenever a quali-quantitative analysis is required, until a few years ago, reference was made exclusively to instrumental methods (more or less hyphenated) which, once validated, were able to provide the answers to the questions present, even if only in a limited way to analytical targets. Nowadays, the landscape has become considerably complicated (natural adulterants, assessment of geographical origin, sophistication, need for non-destructive analysis, search for often unknown compounds), and new procedures for processing data have greatly increased the potential of analyses that are conducted (even routinely) in the laboratory. In this scenario, chemometrics is master, able to manage and process a huge amount of information based both on data relating only to the analytes of interest, but also by applying “general” procedures to process raw untargeted analysis data. It is within this strand of analysis that many of the works reported in this Special Issue fall. In the succession of works in this printed version, the criterion that guided us was to highlight how—starting exclusively from chromatographic techniques (HPLC and GC) with conventional detectors and moving to exclusively spectroscopic techniques (MS, FT-IR and Raman)—it is possible arrive at extremely powerful coupled techniques and procedures (HPLC and FT-IR) able to meet research needs. Finally, at the end of the printed volume, there are two reviews that surveying the state of the art regarding the assessment of authenticity through qualitative analyses and the application of chemometrics in the pharmaceutical field in the study of forced drug degradation products. From the succession of works (and, above all, from the various application fields) it can immediately be seen how the application of chemometrics and its procedures to both raw and processed data is a powerful means of obtaining robust, reproducible, and predictive information. In this manner, it is possible to create models able to explain and respond to the original problem in a much more detailed way. , and Honghe through Fourier transform mid infrared (FT-MIR) spectra combined with partial least squares discriminant analysis (PLS-DA), random forest (RF), and hierarchical cluster analysis (HCA) methods. Melucci and collaborators apply chemometric approaches to non-destructive analysis of ATR-FT-IR for the determination of biosilica content. This value was directly evaluated in sediment samples, without any chemical alteration, using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, and the quantification was performed by combining the multivariate standard addition method (MSAM) with the net analyte signal (NAS) procedure to solve the strong matrix effect of sediment samples. Still in the food and food supplements field, Anguebes-Franseschi and collaborators report an article where 10 chemometric models based on Raman spectroscopy were applied to predict the physicochemical properties of honey produced in the state of Campeche, Mexico.
Author: Richard G. Brereton
Publisher: John Wiley & Sons
ISBN: 0470057777
Category : Science
Languages : en
Pages : 396
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Book Description
The book introduces most of the basic tools of chemometrics including experimental design, signal analysis, statistical methods for analytical chemistry and multivariate methods. It then discusses a number of important applications including food chemistry, biological pattern recognition, reaction monitoring, optimisation of processes, medical applications. The book arises from a series of short articles that have been developed over four years on Chemweb (www.chemweb.com).
Author: Matthias Otto
Publisher: Wiley-VCH
ISBN: 9783527288953
Category : Science
Languages : en
Pages : 350
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Book Description
Chemometrics - easy to understand! Chemometrics are becoming more and more important for the evaluation of analytical data. Work in a modern lab is almost unthinkable without the use of statistical methods and computer-based data analysis. This new textbook is especially suited to give you a comprehensive overview of all areas of chemometrics. Based on the most important fundamentals of statistics, the author provides a modern approach to signal processing, planning and optimizing experiments, pattern recognition and classification as well as modeling simple and nonlinear relationships. Analytical databases are covered as well as applications of artificial intelligence, fuzzy theory, neuronal networks, or genetic algorithms. Numerous worked examples and helpful comments in the margin make reading and understanding easy. Students of chemistry, pharmacy, biochemistry, or ecology will find everything they need to know about chemometrics. Also scientists in industry and research will find this book a useful introduction. Matthias Otto has offered courses on chemometrices for many years and has held lectures at leading universities.
Author: Gerard G. Dumancas
Publisher: American Chemical Society
ISBN: 0841299722
Category : Technology & Engineering
Languages : en
Pages : 143
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Book Description
Spectroscopic and chemometric methods have become routinely applied tools in pharmaceutical industries because they reduce the analysis time and minimize the use of chemicals. The contents of this digital primer are to help newcomers in the field by providing basic content information about various spectroscopic and chemometric tools used in pharmaceutical analysis.
