Relevant bibliographies by topics / Chemometrics

Academic literature on the topic 'Chemometrics'

Author: Grafiati
Published: 4 June 2021
Last updated: 31 July 2024

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Journal articles on the topic "Chemometrics"

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Mocák, Ján. "Chemometrics in Medicine and Pharmacy." Nova Biotechnologica et Chimica 11, no. 1 (June 1, 2012): 11–26. http://dx.doi.org/10.2478/v10296-012-0002-3.

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Chemometrics in Medicine and PharmacyThis minireview summarizes the basic ways of application of chemometrics in medicine and pharmacy. It brings a collection of applications of chemometric used for the solution of diverse practical problems, e.g. exploitation of biologically active species, effective use of biomarkers, advancement of clinical diagnosis, monitoring of the patient's state and prediction of its perspectives, drug design or classification of toxic chemical substances. The aim of this contribution is a brief presentation of versatile potentialities of contemporary chemometrical techniques and relevant software. They are exemplified by typical cases from literature as well as by own research results of the Chemometrics group at Department of Chemistry, the University of Ss. Cyril & Methodius in Trnava.
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Pomerantsev, Alexey L., and Oxana Ye Rodionova. "Chemometric view on “comprehensive chemometrics”." Chemometrics and Intelligent Laboratory Systems 103, no. 1 (August 2010): 19–24. http://dx.doi.org/10.1016/j.chemolab.2010.05.001.

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Deming, S. N. "Chemometrics: an overview." Clinical Chemistry 32, no. 9 (September 1, 1986): 1702–6. http://dx.doi.org/10.1093/clinchem/32.9.1702.

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Abstract Chemometrics is broadly defined as the application of mathematical and statistical methods to chemistry. Because the mathematical and statistical aspects of chemistry require measured values, analytical chemists have been at the forefront of the "chemometric revolution." Using the analysis of variance as a paradigm, I present an overview of chemometrics as it is practiced today. Receiving special emphasis are: the design of experiments to acquire information from the relevant universe of possible measurements; the establishment of relationships among independent and dependent variables; the importance of minimizing purely experimental uncertainty; sequential simplex optimization; analysis of principal components; and cluster analysis.
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Tarapoulouzi, Maria, Monica Mironescu, Chryssoula Drouza, Ion Dan Mironescu, and Sofia Agriopoulou. "Insight into the Recent Application of Chemometrics in Quality Analysis and Characterization of Bee Honey during Processing and Storage." Foods 12, no. 3 (January 19, 2023): 473. http://dx.doi.org/10.3390/foods12030473.

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The application of chemometrics, a widely used science in food studies (and not only food studies) has begun to increase in importance with chemometrics being a very powerful tool in analyzing large numbers of results. In the case of honey, chemometrics is usually used for assessing honey authenticity and quality control, combined with well-established analytical methods. Research related to investigation of the quality changes in honey due to modifications after processing and storage is rare, with a visibly increasing tendency in the last decade (and concentrated on investigating novel methods to preserve the honey quality, such as ultrasound or high-pressure treatment). This review presents the evolution in the last few years in using chemometrics in analyzing honey quality during processing and storage. The advantages of using chemometrics in assessing honey quality during storage and processing are presented, together with the main characteristics of some well-known chemometric methods. Chemometrics prove to be a successful tool to differentiate honey samples based on changes of characteristics during storage and processing.
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Komsta, Łukasz. "Chemometrics in Fingerprinting by Means of Thin Layer Chromatography." Chromatography Research International 2012 (November 28, 2012): 1–5. http://dx.doi.org/10.1155/2012/893246.

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The paper is written as an introductory review, presenting summary of current knowledge about chemometric fingerprinting in the context of TLC, due to a rather small interest in the literature about joining TLC and chemometrics. The paper shortly covers the most important aspects of the chemometric fingerprinting in general, creating the TLC fingerprints, denoising, baseline removal, warping/registering, and chemometric processing itself. References being good candidates as a starting point are given for each topic and processing step.
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Karadžić Banjac, Milica, Strahinja Kovačević, and Sanja Podunavac-Kuzmanović. "Ongoing Multivariate Chemometric Approaches in Bioactive Compounds and Functional Properties of Foods—A Systematic Review." Processes 12, no. 3 (March 14, 2024): 583. http://dx.doi.org/10.3390/pr12030583.

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In this review, papers published in the chemometrics field were selected in order to gather information and conduct a systematic review regarding food science and technology; more precisely, regarding the domain of bioactive compounds and the functional properties of foods. More than 50 papers covering different food samples, experimental techniques and chemometric techniques were selected and presented, focusing on the chemometric methods used and their outcomes. This study is one way to approach an overview of the current publications related to this subject matter. The application of the multivariate chemometrics approach to the study of bioactive compounds and the functional properties of foods can open up even more in coming years, since it is fast-growing and highly competitive research area.
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EL-Gindy, Alaa, and Ghada M. Hadad. "Chemometrics in Pharmaceutical Analysis: An Introduction, Review, and Future Perspectives." Journal of AOAC INTERNATIONAL 95, no. 3 (May 1, 2012): 609–23. http://dx.doi.org/10.5740/jaoacint.sge_el-gindy.

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Abstract Chemometrics is the application of statistical and mathematical methods to analytical data to permit maximum collection and extraction of useful information. The utility of chemometric techniques as tools enabling multidimensional calibration of selected spectroscopic, electrochemical, and chromatographic methods is demonstrated. Application of this approach mainly for interpretation of UV-Vis and near-IR (NIR) spectra, as well as for data obtained by other instrumental methods, makes identification and quantitative analysis of active substances in complex mixtures possible, especially in the analysis of pharmaceutical preparations present in the market. Such analytical work is carried out by the use of advanced chemical instruments and data processing, which has led to a need for advanced methods to design experiments, calibrate instruments, and analyze the resulting data. The purpose of this review is to describe various chemometric methods in combination with UV-Vis spectrophotometry, NIR spectroscopy, fluorescence spectroscopy, electroanalysis, chromatographic separation, and flow-injection analysis for the analysis of drugs in pharmaceutical preparations. Theoretical and practical aspects are described with pharmaceutical examples of chemometric applications. This review will concentrate on gaining an understanding of how chemometrics can be useful in the modern analytical laboratory. A selection of the most challenging problems faced in pharmaceutical analysis is presented, the potential for chemometrics is considered, and some consequent implications for utilization are discussed. The reader can refer to the citations wherever appropriate.
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Zappi, Alessandro, Valentina Marassi, Stefano Giordani, Nicholas Kassouf, Barbara Roda, Andrea Zattoni, Pierluigi Reschiglian, and Dora Melucci. "Extracting Information and Enhancing the Quality of Separation Data: A Review on Chemometrics-Assisted Analysis of Volatile, Soluble and Colloidal Samples." Chemosensors 11, no. 1 (January 4, 2023): 45. http://dx.doi.org/10.3390/chemosensors11010045.

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Instrument automation, technological advancements and improved computational power made separation science an extremely data-rich approach, requiring the use of statistical and data analysis tools that are able to optimize processes and combine multiple outputs. The use of chemometrics is growing, greatly improving the ability to extract meaningful information. Separation–multidetection generates multidimensional data, whose elaboration should not be left to the discretion of the operator. However, some applications or techniques still suffer from the lack of method optimization through DoE and downstream multivariate analysis, limiting their potential. This review aims at summarizing how chemometrics can assist analytical chemists in terms of data elaboration and method design, focusing on what can be achieved by applying chemometric approaches to separation science. Recent applications of chemometrics in separation analyses, in particular in gas, liquid and size-exclusion chromatography, together with field flow fractionation, will be detailed to visualize the state of the art of separation chemometrics, encompassing volatile, soluble and solid (colloidal) analytes. The samples considered will range from food chemistry and environmental chemistry to bio/pharmaceutical science.
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Liu, Jingjing, Yifei Xu, Shikun Liu, Shixin Yu, Zhirun Yu, and Sze Shin Low. "Application and Progress of Chemometrics in Voltammetric Biosensing." Biosensors 12, no. 7 (July 7, 2022): 494. http://dx.doi.org/10.3390/bios12070494.

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The voltammetric electrochemical sensing method combined with biosensors and multi-sensor systems can quickly, accurately, and reliably analyze the concentration of the main analyte and the overall characteristics of complex samples. Simultaneously, the high-dimensional voltammogram contains the rich electrochemical features of the detected substances. Chemometric methods are important tools for mining valuable information from voltammetric data. Chemometrics can aid voltammetric biosensor calibration and multi-element detection in complex matrix conditions. This review introduces the voltammetric analysis techniques commonly used in the research of voltammetric biosensor and electronic tongues. Then, the research on optimizing voltammetric biosensor results using classical chemometrics is summarized. At the same time, the incorporation of machine learning and deep learning has brought new opportunities to further improve the detection performance of biosensors in complex samples. Finally, smartphones connected with miniaturized voltammetric biosensors and chemometric methods provide a high-quality portable analysis platform that shows great potential in point-of-care testing.
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Maritha, Vevi, Putri Widyanti Harlina, Ida Musfiroh, Amirah Mohd Gazzali, and Muchtaridi Muchtaridi. "The Application of Chemometrics in Metabolomic and Lipidomic Analysis Data Presentation for Halal Authentication of Meat Products." Molecules 27, no. 21 (November 4, 2022): 7571. http://dx.doi.org/10.3390/molecules27217571.

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The halal status of meat products is an important factor being considered by many parties, especially Muslims. Analytical methods that have good specificity for the authentication of halal meat products are important as quality assurance to consumers. Metabolomic and lipidomic are two useful strategies in distinguishing halal and non-halal meat. Metabolomic and lipidomic analysis produce a large amount of data, thus chemometrics are needed to interpret and simplify the analytical data to ease understanding. This review explored the published literature indexed in PubMed, Scopus, and Google Scholar on the application of chemometrics as a tool in handling the large amount of data generated from metabolomic and lipidomic studies specifically in the halal authentication of meat products. The type of chemometric methods used is described and the efficiency of time in distinguishing the halal and non-halal meat products using chemometrics methods such as PCA, HCA, PLS-DA, and OPLS-DA is discussed.
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Dissertations / Theses on the topic "Chemometrics"

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g, Fong Siong Fong. "Chemometrics and chromatography." Thesis, University of Bristol, 2011. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.535216.

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Huang, Jun. "Development in Applied Chemometrics : AMT, acoustic chemometrics and N-way image analysis." Doctoral thesis, Norwegian University of Science and Technology, Faculty of Natural Sciences and Technology, 2001. http://urn.kb.se/resolve?urn=urn:nbn:no:ntnu:diva-2143.

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Kittiwachana, Sila. "Application of chemometrics for process monitoring." Thesis, University of Bristol, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.529846.

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Ampiah-Bonney, Richmond Jerry. "Application of chemometrics in process analysis." Thesis, University of Hull, 2006. http://hydra.hull.ac.uk/resources/hull:5861.

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The acid catalysed esterification of ethanol by acetic acid, a batch process, has been investigated on a laboratory scale at the high temperature range of 78 - 80°C. The data has been collected by Raman Spectroscopy and successfully de-noised using Principal Components Analysis. The first principal component (PCI) was found to describe the fluorescence and other sources of noise in the data and the reconstituted data due to the variation captured in the second principal component (PC2) contained the actual Raman spectra. Thus the reaction profile as well as the profiles of individual reaction components have been clearly mapped out. Validation of this denoising technique has been done by calculating the kinetics of the reaction with the reconstituted data, which has been found to follow the theoretical first order reaction kinetics. The effect of variable selection procedures on model building has been investigated using data from a continuous industrial process, for which reaction profiling as was done for the batch system is not applicable. Two variable selection techniques, General Randomised PRESS-based Elimination (GRAPE) and the genetic algorithm (GA), improve the prediction ability of MLR models by a great deal, indicated by Root Mean Square Error of Cross-Validation (RMSECV) values of 1.0649 - 1.1277 and 1.0977 - 2.0064 respectively. Predicted concentrations are a good estimate for the actual concentrations.
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Zappi, Alessandro <1990&gt. "Chemometrics applied to direct multivariate analysis." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2019. http://amsdottorato.unibo.it/8898/1/Zappi_Alessandro_Thesis.pdf.

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The present Ph.D. Thesis is focused on applications and developments of chemometrics. After a short introduction about chemometrics (Chapter 1), the present work is divided in three Chapters, reflecting the research activities addressed during the three-year PhD work: • Chapter 2 concerns the application of classification tools to food traceability (Chapter 2.1), plant metabolomics (Chapter 2.2), and food-frauds detection (Chapter 2.3) problems. • Chapter 3 concerns the application of design of experiments for a bio-remediation research (Chapter 3.1) and for machine optimization (Chapter 3.2). • Chapter 4 concerns the development of the net analyte signal (NAS) procedure and its application to several analytical problems. The main aim of this research is to face the matrix-effect problem using a multivariate approach. Chemometrics is the science that extracts useful information from chemical data. The development of instruments and computers is bringing to analytical methodologies ever more sophisticated, and the consequence is that huge amounts of data are collected. In parallel with this rapid evolution, it is, therefore, important to develop chemometric methods able to handle and process the data. Moreover, the attention is also focusing on analytical techniques that do not destroy the analyzed samples. Chemometrics and its application to non-destructive analytical methods are the main topics of this research project. Several analytical techniques have been used during this project: gas-chromatography (GC), bioluminescence, atomic absorption spectroscopy (AAS), liquid chromatography (HPLC), near-infrared spectroscopy, UV-Vis spectroscopy, Raman spectroscopy, X-ray powder diffraction (XRPD), attenuated total reflectance (ATR) spectroscopy. Moreover, this research activity was carried out in collaboration with several external research groups and companies
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Thurston, Tom. "Chemometrics, kinetics and software for reaction monitoring." Thesis, University of Bristol, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.411114.

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Zhu, Lifeng. "Pharmaceutical reaction and process monitoring using chemometrics." Thesis, University of Bristol, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.437267.

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Airiau, Christian Y. "Application of chemometrics to hyphenated liquid chromatography." Thesis, University of Bristol, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.392922.

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Oliveira, De Souza Danilo. "Quick-EXAFS and hydrotreating catalysts : chemometrics contribution." Thesis, Lille 1, 2015. http://www.theses.fr/2015LIL10061/document.

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L’hydrodésulfuration (HDS) est un procédé catalytique utilisé pour éliminer le soufre des carburants. La demande mondiale de carburants propres a stimulé les recherches sur autour de ce procédé afin de mieux comprendre les mécanismes réactionnels et de produire des catalyseurs plus efficaces. Deux axes de recherches peuvent être dégagés : d’une part la formulation de nouvelles voies de synthèse permettant la production des catalyseurs plus efficaces et d’autre part la compréhension du processus catalytique au niveau moléculaire. La compréhension des transformations structurales du catalyseur au niveau moléculaire pendant la réaction ainsi que pendant la genèse de la phase active est une nécessité pour améliorer les propriétés des catalyseurs. Dans ce contexte, ce travail propose deux objectifs. En premier lieu, il présente nouvelle méthode de synthèse de catalyseurs d’HDS à base de CoMo supporté dans TiO2 par voie sol-gel. Dans un deuxième temps, le travail présente la mise-en-œuvre de la chimiometrie pour traiter des données in situ de spectroscopie d’absorption de rayons-X (XAS) qui permet d’obtenir des informations sur la structure moléculaire du catalyseur pendant son activation. Les installations synchrotron de dernière génération permettent en effet d’enregistrer des données expérimentales avec résolution temporelle de l’ordre de la seconde (Quick-EXAFS) et la chimiometrie fournit des outils d’analyse et d’interprétation pour extraire des informations sur les cinétiques de réaction et sur les transformations structurales menant à la formation de la phase active du catalyseur
Hydrodesulfurization (HDS) is catalytic process used to remove sulfur from petroleum feedstock. The world claim for clean fuel boosted scientists to get new insights on the catalytic reaction in order to understand the mechanisms of the process and, thus, produce catalysts that are more efficient. Such researches are based mainly in to lines: by one hand, in the formulation of new routes that lead to tailored catalysts and, by the other hand, in a better understanding of the catalytic process at the molecular and atomic level. Particularly, the later leads to an optimization of the formulation and better catalytic performance, for which is required further understanding of the molecular structure, its transformations during the reaction, the nature of active species and its genesis. In this picture, the goal of this work is twofold. First, to present a new route for produce HDS CoMo-based catalysts via one-pot sol-gel method, which revealed to have suitable macro- and microscopic properties making promising solids for further applications. Second, to adapt and use chemometrics method to treat in situ measurements, particularly, X-ray absorption spectra (XAS), to get new insights on the genesis of the catalytic active phase at the molecular level. XAS techniques is suitable to probe local atomic structure, and last generation synchrotron facilities provide conditions to perform such in situ experiments with very fast acquisition (Quick-EXAFS). Chemometrics provide a brand new scope on data analysis and interpretation for extract information on the kinetics of reaction and structure transformation that leads to the active phase of the catalysts
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Pell, Randall James. "Chemometrics and infrared emission spectroscopy for remote analysis /." Thesis, Connect to this title online; UW restricted, 1990. http://hdl.handle.net/1773/11545.

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Books on the topic "Chemometrics"

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Chau, Foo-tim, Yi-zeng Liang, Junbin Gao, and Xue-guang Shao. Chemometrics. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2004. http://dx.doi.org/10.1002/0471454745.

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Otto, Matthias. Chemometrics. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527699377.

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L, Illman Deborah, and Kowalski Bruce R. 1942-, eds. Chemometrics. New York: Wiley, 1986.

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Brereton, Richard G. Chemometrics. New York: John Wiley & Sons, Ltd., 2003.

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Lavine, Barry K., ed. Chemometrics and Chemoinformatics. Washington, DC: American Chemical Society, 2005. http://dx.doi.org/10.1021/bk-2005-0894.

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Wehrens, Ron. Chemometrics with R. Berlin, Heidelberg: Springer Berlin Heidelberg, 2020. http://dx.doi.org/10.1007/978-3-662-62027-4.

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L. Pomerantsev, Alexey. Chemometrics in Excel. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2014. http://dx.doi.org/10.1002/9781118873212.

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Wehrens, Ron. Chemometrics with R. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-17841-2.

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Díaz-Cruz, José Manuel, Miquel Esteban, and Cristina Ariño. Chemometrics in Electroanalysis. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-21384-8.

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1941-, Massart Desiré L., ed. Chemometrics: A textbook. Amsterdam: Elsevier, 1988.

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Book chapters on the topic "Chemometrics"

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Caliandro, Rocco. "Chemometrics." In Encyclopedia of Membranes, 397–99. Berlin, Heidelberg: Springer Berlin Heidelberg, 2016. http://dx.doi.org/10.1007/978-3-662-44324-8_1821.

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Breuil, Philippe. "Chemometrics." In Chemical and Biological Microsensors, 287–306. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118603871.ch9.

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Caliandro, Rocco. "Chemometrics." In Encyclopedia of Membranes, 1–2. Berlin, Heidelberg: Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-40872-4_1821-1.

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Sundberg, Rolf. "Chemometrics." In International Encyclopedia of Statistical Science, 240–42. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-04898-2_168.

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Smith, Ruth. "Chemometrics." In Forensic Chemistry, 469–503. Chichester, UK: John Wiley & Sons, Ltd, 2015. http://dx.doi.org/10.1002/9781118897768.ch12.

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Cocchi, Marina, Mario Li Vigni, and Caterina Durante. "Chemometrics - Bioinformatics." In Food Authentication, 481–518. Chichester, UK: John Wiley & Sons, Ltd, 2017. http://dx.doi.org/10.1002/9781118810224.ch17.

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Wise, B. M., and B. R. Kowalski. "Process chemometrics." In Process Analytical Chemistry, 259–312. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0591-0_8.

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Horrocks, A. J., K. Pitts, D. Detata, and R. Dunsmore. "Fire and Explosions Investigation." In Chemometric Methods in Forensic Science, 65–89. Royal Society of Chemistry, 2023. http://dx.doi.org/10.1039/bk9781839166099-00065.

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The use of chemometric methods in the analysis process of fire and explosive evidence allows for enhanced detection and classification of target analytes to be achieved. There is a vast amount of research into the application of chemometrics in the analysis of ignitable liquid and explosive residues throughout forensic fire and explosion investigations. This chapter provides an overview of research that focuses on discrimination and classification, as well as the use of experimental design to optimise sampling, storage, and analysis protocols for ignitable liquid and explosive residues. The research discussed demonstrates the usefulness of chemometrics as a tool for the efficient detection and classification of forensic evidence. Further research in this area is needed so that chemometrics may be used for future method development and identification and classification of ignitable liquid and explosive residues in real-life criminal casework.
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"Chemometrics." In Solvent Effects in Chemistry, 89–111. Hoboken, NJ: John Wiley & Sons, Inc, 2015. http://dx.doi.org/10.1002/9781119044307.ch4.

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"Chemometrics." In Encyclopedia of Lubricants and Lubrication, 239. Berlin, Heidelberg: Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-22647-2_200069.

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Conference papers on the topic "Chemometrics"

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Putnik, Predrag, Daniela Šojić Merkulov, Branimir Pavlić, Branko Velebit, and Danijela Bursać Kovačević. "CHEMOMETRICS IN AGRI-FOOD BUSINESS AND SUSTAINABILITY." In 2nd International Symposium on Biotechnology. Faculty of Agronomy in Čačak, University of Kragujevac, 2024. http://dx.doi.org/10.46793/sbt29.01pp.

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This paper reviews the juncture of chemometrics and sustainability in the agri-food industry. Chemometrics, as a powerful analytical set of tools, has a crucial role in promoting sustainability by improving resource efficiency, reducing waste, and enhancing the overall environmental footprint of agri-food production and processing. Through various applications, this paper reports how chemometric contributes to realizing sustainable practices while keeping quality standards in the agri-food business.
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Felkel, J., N. Doerr, and K. Varmuza. "Characterization of the Oil Condition by IR and Chemometrics." In STLE/ASME 2008 International Joint Tribology Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/ijtc2008-71190.

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The acid number (AN) is considered an important indicator of oil condition, especially in terms of defining oil oxidation and the extent of acidification of used oils collected from two engines, each running with a different biogas. The results of chemometrical models comprising principal component analysis (PCA) for qualitative evaluation and partial least squares regression (PLS) for quantitative evaluation of used gas engine oils, respectively, are discussed. The investigations are based on infrared spectrometry and acid number measurements of monograde mineral-oil-based gas engine oils SAE 40. It is reported how IR spectrometry and chemometrics can be used to reveal the influence of the gas fuel type on oil aging (PCA) and for the indirect determination of the acid number (PLS). In contrast to the conventional time-consuming AN determination according to ASTM D 664, the joint use of IR spectrometry and chemometrics offers results within a few minutes. The chemometrical “measurement error” is in the range of precision and bias of the standard method.
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Schlager, Kenneth J., and Timothy L. Ruchti. "Overview of chemometrics." In Photonics West '95, edited by Gerald E. Cohn, Jeremy M. Lerner, Kevin J. Liddane, Alexander Scheeline, and Steven A. Soper. SPIE, 1995. http://dx.doi.org/10.1117/12.206020.

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Donahue, Steven M. "Chemometrics in the real world." In SPIE's 1992 Symposium on Process Control and Monitoring, edited by David S. Bomse, Harry Brittain, Stuart Farquharson, Jeremy M. Lerner, Alan J. Rein, Cary Sohl, Terry R. Todd, and Lois Weyer. SPIE, 1992. http://dx.doi.org/10.1117/12.137750.

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Bertrand, D., and A. Kohler. "Chemometrics of Multivariate Images in Food Science." In 13th World Congress of Food Science & Technology. Les Ulis, France: EDP Sciences, 2006. http://dx.doi.org/10.1051/iufost:20060817.

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Stevens, G. C., H. Herman, N. Freebody, I. L. Hosier, and A. S. Vaughan. "Chemometrics in the study of liquid dielectrics." In 2017 IEEE 19th International Conference on Dielectric Liquids (ICDL). IEEE, 2017. http://dx.doi.org/10.1109/icdl.2017.8124653.

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Collins, Leslie. "Chemometrics and Machine Learning for Spectral Analysis." In Laser Applications to Chemical, Security and Environmental Analysis. Washington, D.C.: OSA, 2012. http://dx.doi.org/10.1364/lacsea.2012.lm5b.3.

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Siddiqui, Khalid J., and DeLyle Eastwood. "Pattern recognition and chemometrics for spectral classification." In Environmental and Industrial Sensing, edited by Tuan Vo-Dinh and Stephanus Buettgenbach. SPIE, 2001. http://dx.doi.org/10.1117/12.417466.

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Sarsam, Samer Muthana. "Reinforcing the Decision-making Process in Chemometrics." In ICSCA '19: 2019 8th International Conference on Software and Computer Applications. New York, NY, USA: ACM, 2019. http://dx.doi.org/10.1145/3316615.3316644.

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de Paula, Lauro C. M., Anderson S. Soares, Telma W. de Lima, Arlindo R. G. Filho, and Clarimar J. Coelho. "Variable Selection for Multivariate Calibration in Chemometrics." In GECCO '16: Genetic and Evolutionary Computation Conference. New York, NY, USA: ACM, 2016. http://dx.doi.org/10.1145/2908961.2931667.

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Reports on the topic "Chemometrics"

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Fodor, G. E., and S. A. Hutzler. Estimation of Middle Distillate Fuel Properties by FT-IR and Chemometrics. Part I. Calibrations and Validations. Fort Belvoir, VA: Defense Technical Information Center, December 1997. http://dx.doi.org/10.21236/ada333512.

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Schmitigal, Joel. Near-Infrared Spectroscopy and Chemometrics Instrumentation and Methodology for Field Evaluation of Diesel and Aviation Fuels by the U.S. Army. Fort Belvoir, VA: Defense Technical Information Center, May 2004. http://dx.doi.org/10.21236/ada596359.

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Spiegelman, Clifford. Chemometrics and Intelligent Laboratory Systems, Volume 10, Numbers 1-2, February 1991. Proceedings of the Mathematics in Chemistry Conference Held in College Station, Texas on 8-10 November 1989. Fort Belvoir, VA: Defense Technical Information Center, February 1991. http://dx.doi.org/10.21236/ada235801.

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Ivanova, Miroslava, Lilko Dospatliev, and Penko Papazov. Application of ICP-OES Method of Determination of K, P, Mg, Na and Ca in Nine Wild Edible Mushrooms with a Chemometric Approach. "Prof. Marin Drinov" Publishing House of Bulgarian Academy of Sciences, February 2019. http://dx.doi.org/10.7546/crabs.2019.02.06.

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Corriveau, Elizabeth, Travis Thornell, Mine Ucak-Astarlioglu, Dane Wedgeworth, Hayden Hanna, Robert Jones, Alison Thurston, and Robyn Barbato. Characterization of pigmented microbial isolates for use in material applications. Engineer Research and Development Center (U.S.), March 2023. http://dx.doi.org/10.21079/11681/46633.

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Organisms (i.e., plants and microorganisms) contain pigments that allow them to adapt and thrive under stressful conditions, such as elevated ultraviolet radiation. The pigments elicit characteristic spectral responses when measured by active and passive sensors. This research study focused on characterizing the spectral response of three organisms and how they compared to background spectral signatures of a complex environment. Specifically, spectra were collected from a fungus, a plant, and two pigmented bacteria, one of which is an extremophile bacterium. The samples were measured using Fourier transform infrared spectroscopy and dis-criminated using chemometric means. A top-down examination of the spectral data revealed that organisms could be discriminated from one an-other through principal component analysis (PCA). Furthermore, there was a strong distinction between the plant and the pigmented microorganisms. Spectral differences resulting in samples with the highest variance from the natural background were identified using PCA loading plots. The outcome of this work is a spectral library of pigmented biological candidates for coatings applications.
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Grate, Jay W. Chemometric Classification of Unknown Vapors by Conversion of Sensor Array Pattern Vectors to Vapor Descriptors: Extension from Mass-Transducing Sensors To Volume-Transducing Sensors. Office of Scientific and Technical Information (OSTI), June 2001. http://dx.doi.org/10.2172/786791.

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Grate, Jay W., and Barry M. Wise. Chemometric Classification of Unknown Vapors by Conversion of Sensor Array Pattern Vectors to Vapor Descriptors: Extension from Mass-Transducing Sensors To Volume-Transducing Sensors. Office of Scientific and Technical Information (OSTI), June 2001. http://dx.doi.org/10.2172/965674.

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Irudayaraj, Joseph, Ze'ev Schmilovitch, Amos Mizrach, Giora Kritzman, and Chitrita DebRoy. Rapid detection of food borne pathogens and non-pathogens in fresh produce using FT-IRS and raman spectroscopy. United States Department of Agriculture, October 2004. http://dx.doi.org/10.32747/2004.7587221.bard.

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Rapid detection of pathogens and hazardous elements in fresh fruits and vegetables after harvest requires the use of advanced sensor technology at each step in the farm-to-consumer or farm-to-processing sequence. Fourier-transform infrared (FTIR) spectroscopy and the complementary Raman spectroscopy, an advanced optical technique based on light scattering will be investigated for rapid and on-site assessment of produce safety. Paving the way toward the development of this innovative methodology, specific original objectives were to (1) identify and distinguish different serotypes of Escherichia coli, Listeria monocytogenes, Salmonella typhimurium, and Bacillus cereus by FTIR and Raman spectroscopy, (2) develop spectroscopic fingerprint patterns and detection methodology for fungi such as Aspergillus, Rhizopus, Fusarium, and Penicillium (3) to validate a universal spectroscopic procedure to detect foodborne pathogens and non-pathogens in food systems. The original objectives proposed were very ambitious hence modifications were necessary to fit with the funding. Elaborate experiments were conducted for sensitivity, additionally, testing a wide range of pathogens (more than selected list proposed) was also necessary to demonstrate the robustness of the instruments, most crucially, algorithms for differentiating a specific organism of interest in mixed cultures was conceptualized and validated, and finally neural network and chemometric models were tested on a variety of applications. Food systems tested were apple juice and buffer systems. Pathogens tested include Enterococcus faecium, Salmonella enteritidis, Salmonella typhimurium, Bacillus cereus, Yersinia enterocolitis, Shigella boydii, Staphylococus aureus, Serratiamarcescens, Pseudomonas vulgaris, Vibrio cholerae, Hafniaalvei, Enterobacter cloacae, Enterobacter aerogenes, E. coli (O103, O55, O121, O30 and O26), Aspergillus niger (NRRL 326) and Fusarium verticilliodes (NRRL 13586), Saccharomyces cerevisiae (ATCC 24859), Lactobacillus casei (ATCC 11443), Erwinia carotovora pv. carotovora and Clavibacter michiganense. Sensitivity of the FTIR detection was 103CFU/ml and a clear differentiation was obtained between the different organisms both at the species as well as at the strain level for the tested pathogens. A very crucial step in the direction of analyzing mixed cultures was taken. The vector based algorithm was able to identify a target pathogen of interest in a mixture of up to three organisms. Efforts will be made to extend this to 10-12 key pathogens. The experience gained was very helpful in laying the foundations for extracting the true fingerprint of a specific pathogen irrespective of the background substrate. This is very crucial especially when experimenting with solid samples as well as complex food matrices. Spectroscopic techniques, especially FTIR and Raman methods are being pursued by agencies such as DARPA and Department of Defense to combat homeland security. Through the BARD US-3296-02 feasibility grant, the foundations for detection, sample handling, and the needed algorithms and models were developed. Successive efforts will be made in transferring the methodology to fruit surfaces and to other complex food matrices which can be accomplished with creative sampling methods and experimentation. Even a marginal success in this direction will result in a very significant breakthrough because FTIR and Raman methods, in spite of their limitations are still one of most rapid and nondestructive methods available. Continued interest and efforts in improving the components as well as the refinement of the procedures is bound to result in a significant breakthrough in sensor technology for food safety and biosecurity.
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Chemometrics review for chemical sensor development, task 7 report. Office of Scientific and Technical Information (OSTI), May 1994. http://dx.doi.org/10.2172/79054.

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