Chemometric Methods in Forensic Science

Chemometric Methods in Forensic Science

Author: Vishal Sharma

Publisher: Royal Society of Chemistry

Published: 2023-12-20

Total Pages: 260

ISBN-13: 183916610X

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Chemometrics, or the application of multivariate statistics to chemical data, provides informative and statistically valid analyses within a forensic context and there has been an increase in the use of chemometrics to characterise forensic exhibits. Introducing chemometric methods suitable for forensic practitioners, this book fills a gap in the literature outlining how such methods are applied to forensic casework, what limitations to these approaches exist, and future trends emerging in the field. The book highlights how chemometric methods may be applied to different areas of forensic science, enabling more confident and transparent decision-making based on quantitative approaches. It is divided into various sections which include a background to chemometrics, types of chemometric methods, their applications in various disciplines of forensic science, and emerging trends in the field. The detailed discussion of chemometric methods used for the examination of forensic exhibits outlines their advantages, limitations, and efficiency. Providing a centralised source of information addressing the above aspects, and suitable for forensic practitioners, researchers and stakeholders, this book is written for MSc Forensic Science courses and more broadly applications in the biological, chemical and physical sciences.


Analytical and Chemometric Tools

Analytical and Chemometric Tools

Author: Alessandra Biancolillo

Publisher: Elsevier

Published: 2025-02-01

Total Pages: 0

ISBN-13: 9780443215865

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Analytical and Chemometric Tools: An up-to-date Tutorial with Practical Applications to Food Security and Safety provides a one stop tutorial in understanding the tools required for applying chemometrics to food and forensic chemistry. This book effectively updates readers on the most recent trends and results in analytical chemistry and data analysis. With a generous compilation of practical examples throughout, this book is divided into three sections: Section 1 is focused around a theoretical discussion of chemometric methods. Section 2 summarizes up-too-date targeted and untargeted analytical methods in the field of forensic science. Section 3 presents real-life case studies applied to the methods of chemometrics for food and forensic chemistry. This book is a valuable resource for chemists, forensic scientists, food scientists, students, and all those who wish to broaden their knowledge in the allied field.


Chemometrics for Pattern Recognition

Chemometrics for Pattern Recognition

Author: Richard G. Brereton

Publisher: John Wiley & Sons

Published: 2009-06-29

Total Pages: 522

ISBN-13: 9780470746479

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Over the past decade, pattern recognition has been one of the fastest growth points in chemometrics. This has been catalysed by the increase in capabilities of automated instruments such as LCMS, GCMS, and NMR, to name a few, to obtain large quantities of data, and, in parallel, the significant growth in applications especially in biomedical analytical chemical measurements of extracts from humans and animals, together with the increased capabilities of desktop computing. The interpretation of such multivariate datasets has required the application and development of new chemometric techniques such as pattern recognition, the focus of this work. Included within the text are: ‘Real world’ pattern recognition case studies from a wide variety of sources including biology, medicine, materials, pharmaceuticals, food, forensics and environmental science; Discussions of methods, many of which are also common in biology, biological analytical chemistry and machine learning; Common tools such as Partial Least Squares and Principal Components Analysis, as well as those that are rarely used in chemometrics such as Self Organising Maps and Support Vector Machines; Representation in full colour; Validation of models and hypothesis testing, and the underlying motivation of the methods, including how to avoid some common pitfalls. Relevant to active chemometricians and analytical scientists in industry, academia and government establishments as well as those involved in applying statistics and computational pattern recognition.


Chemometrics for Pattern Recognition

Chemometrics for Pattern Recognition

Author: Richard G. Brereton

Publisher: John Wiley & Sons

Published: 2009-09-28

Total Pages: 532

ISBN-13: 0470987251

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Over the past decade, pattern recognition has been one of the fastest growth points in chemometrics. This has been catalysed by the increase in capabilities of automated instruments such as LCMS, GCMS, and NMR, to name a few, to obtain large quantities of data, and, in parallel, the significant growth in applications especially in biomedical analytical chemical measurements of extracts from humans and animals, together with the increased capabilities of desktop computing. The interpretation of such multivariate datasets has required the application and development of new chemometric techniques such as pattern recognition, the focus of this work. Included within the text are: ‘Real world’ pattern recognition case studies from a wide variety of sources including biology, medicine, materials, pharmaceuticals, food, forensics and environmental science; Discussions of methods, many of which are also common in biology, biological analytical chemistry and machine learning; Common tools such as Partial Least Squares and Principal Components Analysis, as well as those that are rarely used in chemometrics such as Self Organising Maps and Support Vector Machines; Representation in full colour; Validation of models and hypothesis testing, and the underlying motivation of the methods, including how to avoid some common pitfalls. Relevant to active chemometricians and analytical scientists in industry, academia and government establishments as well as those involved in applying statistics and computational pattern recognition.


Chemical Analysis for Forensic Evidence

Chemical Analysis for Forensic Evidence

Author: Arian van Asten

Publisher: Elsevier

Published: 2022-11-24

Total Pages: 576

ISBN-13: 0128207213

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Chemical Analysis for Forensic Evidence provides readers with the fundamental framework of forensic analytical chemistry, describing the entire process, from crime scene investigation to evidence sampling, laboratory analysis, quality aspects, and reporting and testifying in court. In doing so, important principles and aspects are demonstrated through the various forensic expertise areas in which analytical chemistry plays a key role, including illicit drugs, explosives, toxicology, fire debris analysis and microtraces such as gunshot residues, glass and fibers. This book illuminates the underlying practical framework that governs how analytical chemistry is used in practice by forensic experts to solve crime. Arian van Asten utilizes a hands-on approach with numerous questions, examples, exercises and illustrations to help solidify key concepts and teach them in an engaging way. Provides a forensic analytical chemistry framework based on how professionals actually use chemistry to solve crimes Introduces leading principles necessary to forensic practice understanding Answers key questions with a wealth of illustrations and real-world examples


Analytical Techniques in Forensic Science

Analytical Techniques in Forensic Science

Author: Rosalind Wolstenholme

Publisher: John Wiley & Sons

Published: 2021-01-26

Total Pages: 464

ISBN-13: 1119978289

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An in-depth text that explores the interface between analytical chemistry and trace evidence Analytical Techniques in Forensic Science is a comprehensive guide written in accessible terms that examines the interface between analytical chemistry and trace evidence in forensic science. With contributions from noted experts on the topic, the text features a detailed introduction analysis in forensic science and then subsequent chapters explore the laboratory techniques grouped by shared operating principles. For each technique, the authors incorporate specific theory, application to forensic analytics, interpretation, forensic specific developments, and illustrative case studies. Forensic techniques covered include UV-Vis and vibrational spectroscopy, mass spectrometry and gas and liquid chromatography. The applications reviewed include evidence types such as fibers, paint, drugs and explosives. The authors highlight data collection, subsequent analysis, what information has been obtained and what this means in the context of a case. The text shows how analytical chemistry and trace evidence can problem solve the nature of much of forensic analysis. This important text: Puts the focus on trace evidence and analytical science Contains case studies that illustrate theory in practice Includes contributions from experts on the topics of instrumentation, theory, and case examples Explores novel and future applications for analytical techniques Written for undergraduate and graduate students in forensic chemistry and forensic practitioners and researchers, Analytical Techniques in Forensic Science offers a text that bridges the gap between introductory textbooks and professional level literature.


Chemometrics

Chemometrics

Author: Fabiano André Narciso Fernandes

Publisher: Elsevier

Published: 2024-06-28

Total Pages: 565

ISBN-13: 0443215030

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Chemometrics: Data Treatment and Applications demonstrates the best practices for treating real-world analytical instrument data and how to apply chemometrics to this data. Rather than focusing on the mathematical theory involved in chemometrics, this book is meant for the industrial chemist, and academics and advanced students that want to use chemometrics in practice. Case studies on several applications are presented. Unlike existing literature, this book focuses on best practices, practical realities, and challenges when treating data, rather than on the mathematical theory. It also provides basic information on chemometrics, several chapters on how to treat, and the best practices used to treat, data from different analytical instruments, as well as case studies and uses of chemometrics in different fields. The book is written primarily for analytic chemists as practitioners in analytical laboratories and other industries. It will also be useful to academics and graduate, masters and postdoc students chiefly working in analytical chemistry who want to improve the practical aspects of their research activities. Presents topical and important chapters for the most-used analytical instruments Focuses on practical issues in the implementation of chemometrics Examines advances in the application of chemometrics in several fields Includes frank perspectives on what works well for the data of a certain analytical instrument given the multiple choices of mathematical models and protocols that can be applied Covered protocols are heavily illustrated with case studies showing their potential use and the advances in chemometrics


Materials Analysis in Forensic Science

Materials Analysis in Forensic Science

Author: Max M. Houck

Publisher: Academic Press

Published: 2016-05-27

Total Pages: 532

ISBN-13: 0128006730

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Materials Analysis in Forensic Science will serve as a graduate level text for those studying and teaching materials analysis in forensic science. In addition, it will prove an excellent library reference for forensic practitioners to use in their casework. Coverage includes methods, textiles, explosives, glass, coatings, geo-and bio-materials, and marks and impressions, as well as information on various other materials and professional issues the reader may encounter. Edited by a world-renowned leading forensic expert, the book is a long overdue solution for the forensic science community. Provides basic principles of forensic science and an overview of materials analysis Contains information on a wide variety of trace evidence Covers methods, textiles, explosives, glass, coatings, geo-and bio-materials, and marks and impressions, as well as various other materials Includes a section on professional issues, such as discussions of the crime scene to court process, lab reports, health and safety, and field deployable devices Incorporates effective pedagogy, key terms, review questions, discussion questions, and additional reading suggestions


Chemometrics

Chemometrics

Author: Aderval S. Luna

Publisher: Nova Science Publishers

Published: 2017

Total Pages: 0

ISBN-13: 9781536105186

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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.