Marcello Locatelli, Angela Tartaglia, Dora Locatelli, AngelaMarcello Ibrahim Tartaglia, Halil Ulusoy and Melucci, Abuzar Victoria Kabir, Samanidou Advances in Chemical Analysis Procedures (Part II) Advances in Chemical Analysis Procedures (Part II) Edited by Marcello Locatelli, Angela Tartaglia, Dora Melucci, Abuzar Kabir, Halil Ibrahim Ulusoy and Victoria Samanidou Printed Edition of the Special Issue Published in Molecules www.mdpi.com/si/molecules Advances in Chemical Analysis Procedures (Part II) Advances in Chemical Analysis Procedures (Part II) Statistical and Chemometric Approaches Editors Marcello Locatelli Angela Tartaglia Dora Melucci Abuzar Kabir Halil Ibrahim Ulusoy Victoria Samanidou MDPI • Basel • Beijing • Wuhan • Barcelona • Belgrade • Manchester • Tokyo • Cluj • Tianjin Editors Marcello Locatelli Angela Tartaglia Dora Melucci University “G. d’Annunzio” of University “G. d’Annunzio” of University of Bologna Chieti-Pescara Chieti-Pescara Italy Italy Italy Abuzar Kabir Halil Ibrahim Ulusoy Victoria Samanidou Florida International University Cumhuriyet University Aristotle University of USA Turkey Thessaloniki Greece Editorial Office MDPI St. Alban-Anlage 66 4052 Basel, Switzerland This is a reprint of articles from the Special Issue published online in the open access journal Molecules (ISSN 1420-3049) (available at: https://www.mdpi.com/journal/molecules/special issues/chemical analysis statistical chemomitric approaches). For citation purposes, cite each article independently as indicated on the article page online and as indicated below: LastName, A.A.; LastName, B.B.; LastName, C.C. Article Title. Journal Name Year, Article Number, Page Range. ISBN 978-3-03936-786-3 (Hbk) ISBN 978-3-03936-787-0 (PDF) c 2020 by the authors. Articles in this book are Open Access and distributed under the Creative Commons Attribution (CC BY) license, which allows users to download, copy and build upon published articles, as long as the author and publisher are properly credited, which ensures maximum dissemination and a wider impact of our publications. The book as a whole is distributed by MDPI under the terms and conditions of the Creative Commons license CC BY-NC-ND. Contents About the Editors .............................................. vii Preface to ”Advances in Chemical Analysis Procedures (Part II)” .................xiii Luya Li, Yuting Chen, Xue Feng, Jintuo Yin, Shenghao Li, Yupeng Sun and Lantong Zhang Identification of Metabolites of Eupatorin In Vivo and In Vitro Based on UHPLC-Q-TOF-MS/MS Reprinted from: Molecules 2019, 24, 2658, doi:10.3390/molecules24142658 .............. 1 Angelo Antonio D’Archivio Artificial Neural Network Prediction of Retention of Amino Acids in Reversed-Phase HPLC under Application of Linear Organic Modifier Gradients and/or pH Gradients Reprinted from: Molecules 2019, 24, 632, doi:10.3390/molecules24030632 .............. 27 Yehong Li, Yiming Zhang, Zejun Zhang, Yupiao Hu, Xiuming Cui and Yin Xiong Quality Evaluation of Gastrodia Elata Tubers Based on HPLC Fingerprint Analyses and Quantitative Analysis of Multi-Components by Single Marker Reprinted from: Molecules 2019, 24, 1521, doi:10.3390/molecules24081521 .............. 41 Yuanshuai Gan, Yao Xiao, Shihan Wang, Hongye Guo, Min Liu, Zhihan Wang and Yongsheng Wang Protein-Based Fingerprint Analysis for the Identification of Ranae Oviductus Using RP-HPLC Reprinted from: Molecules 2019, 24, 1687, doi:10.3390/molecules24091687 .............. 57 Pietro Morozzi, Alessandro Zappi, Fernando Gottardi, Marcello Locatelli and Dora Melucci A Quick and Efficient Non-Targeted Screening Test for Saffron Authentication: Application of Chemometrics to Gas-Chromatographic Data Reprinted from: Molecules 2019, 24, 2602, doi:10.3390/molecules24142602 .............. 69 Eleonora Amante, Alberto Salomone, Eugenio Alladio, Marco Vincenti, Francesco Porpiglia and Rasmus Bro Untargeted Metabolomic Profile for the Detection of Prostate Carcinoma—Preliminary Results from PARAFAC2 and PLS–DA Models Reprinted from: Molecules 2019, 24, 3063, doi:10.3390/molecules24173063 .............. 83 Yi-Fei Pei, Qing-Zhi Zhang, Zhi-Tian Zuo and Yuan-Zhong Wang Comparison and Identification for Rhizomes and Leaves of Paris yunnanensis Based on Fourier Transform Mid-Infrared Spectroscopy Combined with Chemometrics Reprinted from: Molecules 2018, 23, 3343, doi:10.3390/molecules23123343 .............. 93 Dora Melucci, Alessandro Zappi, Francesca Poggioli, Pietro Morozzi, Federico Giglio and Laura Tositti ATR-FTIR Spectroscopy, a New Non-Destructive Approach for the Quantitative Determination of Biogenic Silica in Marine Sediments Reprinted from: Molecules 2019, 24, 3927, doi:10.3390/molecules24213927 ..............109 F. Anguebes-Franseschi, M. Abatal, Lucio Pat, A. Flores, A. V. C´ordova Quiroz, M. A. Ram´ırez-Elias, L. San Pedro, O. May Tzuc and A. Bassam Raman Spectroscopy and Chemometric Modeling to Predict Physical-Chemical Honey Properties from Campeche, Mexico Reprinted from: Molecules 2019, 24, 4091, doi:10.3390/molecules24224091 ..............123 v Qin-Qin Wang, Heng-Yu Huang and Yuan-Zhong Wang Geographical Authentication of Macrohyporia cocos by a Data Fusion Method Combining Ultra-Fast Liquid Chromatography and Fourier Transform Infrared Spectroscopy Reprinted from: Molecules 2019, 24, 1320, doi:10.3390/molecules24071320 ..............141 Sergio Ghidini, Maria Olga Varr`a and Emanuela Zanardi Approaching Authenticity Issues in Fish and Seafood Products by Qualitative Spectroscopy and Chemometrics Reprinted from: Molecules 2019, 24, 1812, doi:10.3390/molecules24091812 ..............159 Benedito Roberto de Alvarenga Junior and Renato Lajarim Carneiro Chemometrics Approaches in Forced Degradation Studies of Pharmaceutical Drugs Reprinted from: Molecules 2019, 24, 3804, doi:10.3390/molecules24203804 ..............185 vi About the Editors Marcello Locatelli (Associate Professor, Analytical Chemistry) earned his degree in Chemistry from the University of Bologna, Department of Chemistry “G. Ciamician” with his thesis on “Development of an Analytical Methodology for the Analysis and Identification of Protein Adducts by Mass Spectrometry”. He earned his PhD from the University of Bologna, Department of Chemistry “G. Ciamician” with his thesis “Combined Analytical Methods of Mass Spectrometry for the Study of Impurities in Drugs and Metabolites of Biomolecules”. Currently, he is Associate Professor of Analytical Chemistry at the University “G. d’Annunzio” of Chieti-Pescara, Department of Pharmacy. His research activity is devoted to the development and validation of chromatographic methods for the qualitative and quantitative determination of biologically active molecules in complex matrices from human and animal (whole blood, serum, plasma, bile, tissues, feces, and urine), cosmetics, foods, and the environment. This includes the study of all processes related to pre-analytical stages, such as sampling, extraction and purification, separation, enrichment, and even the application of conventional and coupled analytical methods for the accurate, sensitive, and selective determination of biologically active molecules. Recently, particular attention has been focused on innovative (micro)extraction procedures like MEPS, FPSE, MIP, DLLME, and SULLE. These procedures have been applied to different compounds, from synthetic and natural origin (glucosamine, 5-amino-salicylic acid, natural or synthetic bile acids, anti-inflammatory, drugs association and fluoroquinolones, secondary metabolites from natural sources, heavy metals). In the development of the method are tested also predictive models and chemometric both for the optimization of extraction protocols and for final data processing. Particular attention is given to the new instrument configurations for the quantitative analysis in complex matrices. He has published more than 157 manuscripts, 116 congress communications, 1 patent subject to approval, 13 book chapters, and 3 books and served as Guest Editor of 13 Special Issues with attested scientific activity (h-index = 33, 148 papers, and 2778 citations, based on Scopus (8th of June 2020)). In addition, he is a reviewer of the following international journals: Analytica Chimica Acta, Current Bioactive Compounds, Journal of Chromatography A, Talanta, and Trends in Analytical Chemistry (a selection of the full list covering more than 100 international peer-reviewed journals). He is a referee for MIUR Institution for National Projects (SIR) and included in the register REPRISE (Register of Expert Peer Reviewers for Italian Scientific Evaluation) in the “Basic Research” section and former referee of VQR (2011–2014). He serves other universities as a referee of proposals through competitive tenders for the allocation of University funds for the activation of research grants. He is Editorial Board Member of the journals Molecules section “Analytical Chemistry”, Current Analytical Chemistry, Separations, Current Bioactive Compounds, American Journal of Modern Chromatography, Journal of Selcuk University Science Faculty, Reviews in Separation Sciences, and Cumhuriyet Science Journal.Heis Associate Editor of Frontiers in Pharmacology section “Ethnopharmacology”, Review Editor of Frontiers in Oncology section “Pharmacology for Anticancer Drugs”, and Review Editor of Frontiers in Medical Technology section “Nano-Based Drug Delivery”. He is a member of the Scientific Committee of Scienze e Ricerche published by the Italian Book Association. ADDITIONAL TITLES Member of the Italian Chemical Society (SCI,