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E-raamat: Chemometrics in Chromatography

Edited by (Medical University of Lublin, Department of Medicinal Chemistry, Poland), Edited by (Vrije Universiteit Brussel, Brussels, Belgium), Edited by (Lafayette College, Easton, Pennsylvania, USA)
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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. The proposed book is planned as 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.

Arvustused

"So why is this book a must purchase? It consists of seven sections, sub-divided into a number of chapters. Just the first three sections make this a book to purchase...this is a great book for all chromatographers. It will make you look and consider your experimental designs and the data you collect. Some of the methods described are not standard in your chromatographic data system. But with todays high-performance computers and the vast amount of open source software I am sure the average lab scientist can easily implement the well-described methods in the book."

- Chromatographia, August 2019

Preface xv
Contributors xvii
SECTION I Method Development and Optimization
Chapter 1 Experimental Design in Chromatographic Method Development and Validation
3(22)
Lukasz Komsta
Yvan Vander Heyden
Chapter 2 Chromatographic Response Functions
25(20)
Regina M.B.O. Duarte
Joao T.V. Matos
Armando C. Duarte
Chapter 3 Chemometric Strategies to Characterize, Classify, and Rank Chromatographic Stationary Phases and Systems
45(18)
Charlene Muscat Galea
Debby Mangelings
Yvan Vander Heyden
SECTION II Univariate Analysis
Chapter 4 Chromatographic Applications of Genetic Algorithms
63(14)
Mohammad Goodarzi
Yvan Vander Heyden
Chapter 5 Statistics in Validation of Quantitative Chromatographic Methods
77(22)
Eliangiringa Kaale
Danstan Hipolite Shewiyo
David Jenkins
Chapter 6 Calibration Curves in Chromatography
99(18)
Sven Declerck
Johan Viaene
Ines Salsinha
Yvan Vander Heyden
SECTION III Data Preprocessing and Unsupervised Analysis
Chapter 7 Introduction to Multivariate Data Treatment
117(10)
Lukasz Komsta
Yvan Vander Heyden
Chapter 8 Introduction to Exploratory and Clustering Techniques
127(10)
Ivana Stanimirova
Michat Daszykowski
Chapter 9 Denoising of Signals, Signal Enhancement, and Baseline Correction in Chromatographic Science
137(34)
Zhi-Min Zhang
Hong-Mei Lu
Yi-Zeng Liang
Chapter 10 Alignment of One- and Two-Dimensional Chromatographic Signals
171(12)
Michal Daszykowski
Chapter 11 Peak Purity and Resolution of Chromatographic Data
183(34)
Silvia Mas
Anna de Juan
Chapter 12 Modeling of Peak Shape and Asymmetry
217(22)
Jose Ramon Torres-Lapasio
Juan Jose Baeza-Baeza
Maria Celia Garcia-Alvarez-Coque
Chapter 13 Missing and Censored Data in Chromatography
239(16)
Ivana Stanimirova
SECTION IV Classification, Discrimination, and Calibration
Chapter 14 Linear Supervised Techniques
255(12)
Lukasz Komsta
Yvan Wander Heyden
Chapter 15 Discriminant Analysis and Classification of Chromatographic Data
267(18)
Alessandra Biancolillo
Federico Marini
Chapter 16 Nonlinear Supervised Techniques
285(18)
Geert Postma
Lionel Blanchet
Frederik-Jan van Schooten
Lutgarde Buydens
SECTION V Retention Modeling
Chapter 17 Introduction to Quantitative Structure-Retention Relationships
303(16)
Krzesimir Ciura
Piotr Kawczak
Joanna Nowakowska
Tomasz Bqczek
Chapter 18 Topological Indices in Modeling of Chromatographic Retention
319(32)
Malgorzata Dolowy
Katarzyna Bober
Alina Pyka-Pajak
SECTION VI Application Overviews
Chapter 19 Introduction to Herbal Fingerprinting by Chromatography
351(20)
Johan Viaene
Yvan Vander Heyden
Chapter 20 Chemometric Strategies in Analysis of Chromatographic-Mass Spectrometry Data
371(10)
Samantha Riccadonna
Pietro Franceschi
Chapter 21 Chemometric Strategies in Chromatographic Analysis of Pharmaceuticals
381(36)
Erdal Dinc
SECTION VII Miscellaneous
Chapter 22 Bayesian Methods in Chromatographic Science
417(18)
David Brynn Hibbert
Chapter 23 Multiway Methods in Chromatography
435(14)
Lukasz Komsta
Yvan Vander Heyden
Chapter 24 Recurrent Relationships in Separation Science
449(20)
Igor Zenkevich
Chapter 25 Chemometrics and Image Processing in Thin-Layer Chromatography
469(26)
Bahram Hemmateenejad
Elaheh Talebanpour Bayat
Elmira Rafatmah
Zahra Shojaeifard
Nabiollah Mobaraki
Saeed Yousefinejad
Index 495
ukasz Komsta, Yvan Vander Heyden, Joseph Sherma