Literature DB >> 30073517

Chemometrics in analytical chemistry-part II: modeling, validation, and applications.

Richard G Brereton1, Jeroen Jansen2, João Lopes3, Federico Marini4, Alexey Pomerantsev5, Oxana Rodionova5, Jean Michel Roger6, Beata Walczak7, Romà Tauler8.   

Abstract

The contribution of chemometrics to important stages throughout the entire analytical process such as experimental design, sampling, and explorative data analysis, including data pretreatment and fusion, was described in the first part of the tutorial "Chemometrics in analytical chemistry." This is the second part of a tutorial article on chemometrics which is devoted to the supervised modeling of multivariate chemical data, i.e., to the building of calibration and discrimination models, their quantitative validation, and their successful applications in different scientific fields. This tutorial provides an overview of the popularity of chemometrics in analytical chemistry.

Keywords:  Calibration; Discrimination; Hyperspectral imaging; Omics; Prediction; Validation

Year:  2018        PMID: 30073517     DOI: 10.1007/s00216-018-1283-4

Source DB:  PubMed          Journal:  Anal Bioanal Chem        ISSN: 1618-2642            Impact factor:   4.142


  9 in total

Review 1.  Gas sensors based on mass-sensitive transducers. Part 2: Improving the sensors towards practical application.

Authors:  Alexandru Oprea; Udo Weimar
Journal:  Anal Bioanal Chem       Date:  2020-07-31       Impact factor: 4.142

2.  Variety identification of oat seeds using hyperspectral imaging: investigating the representation ability of deep convolutional neural network.

Authors:  Na Wu; Yu Zhang; Risu Na; Chunxiao Mi; Susu Zhu; Yong He; Chu Zhang
Journal:  RSC Adv       Date:  2019-04-25       Impact factor: 4.036

Review 3.  Chemometric Methods for Spectroscopy-Based Pharmaceutical Analysis.

Authors:  Alessandra Biancolillo; Federico Marini
Journal:  Front Chem       Date:  2018-11-21       Impact factor: 5.221

4.  Rapid and robust on-scene detection of cocaine in street samples using a handheld near-infrared spectrometer and machine learning algorithms.

Authors:  Ruben F Kranenburg; Joshka Verduin; Yannick Weesepoel; Martin Alewijn; Marcel Heerschop; Ger Koomen; Peter Keizers; Frank Bakker; Fionn Wallace; Annette van Esch; Annemieke Hulsbergen; Arian C van Asten
Journal:  Drug Test Anal       Date:  2020-07-27       Impact factor: 3.345

Review 5.  Comprehensive Review on Application of FTIR Spectroscopy Coupled with Chemometrics for Authentication Analysis of Fats and Oils in the Food Products.

Authors:  Abdul Rohman; Mohd Al'Ikhsan B Ghazali; Anjar Windarsih; Sugeng Riyanto; Farahwahida Mohd Yusof; Shuhaimi Mustafa
Journal:  Molecules       Date:  2020-11-23       Impact factor: 4.411

6.  A single screen-printed electrode in tandem with chemometric tools for the forensic differentiation of Brazilian beers.

Authors:  Yhan S Mutz; Denes do Rosario; Luiz R G Silva; Diego Galvan; Bruno C Janegitz; Rafael de Q Ferreira; Carlos A Conte-Junior
Journal:  Sci Rep       Date:  2022-04-04       Impact factor: 4.379

Review 7.  Perspectives of fluorescence spectroscopy for online monitoring in microalgae industry.

Authors:  Marta Sá; Narcis Ferrer-Ledo; Fengzheng Gao; Carlo G Bertinetto; Jeroen Jansen; João G Crespo; Rene H Wijffels; Maria Barbosa; Claudia F Galinha
Journal:  Microb Biotechnol       Date:  2022-02-17       Impact factor: 6.575

Review 8.  Advances in Fingerprint Analysis for Standardization and Quality Control of Herbal Medicines.

Authors:  Eka Noviana; Gunawan Indrayanto; Abdul Rohman
Journal:  Front Pharmacol       Date:  2022-06-02       Impact factor: 5.988

Review 9.  The Sample, the Spectra and the Maths-The Critical Pillars in the Development of Robust and Sound Applications of Vibrational Spectroscopy.

Authors:  Daniel Cozzolino
Journal:  Molecules       Date:  2020-08-12       Impact factor: 4.411

  9 in total

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