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The purpose of this volume is to show how in this area the technology, creativity and inventiveness are the basis of new and encouraging results not only in the environmental field but also in the monitoring of xenobiotics of organic and inorganic origin in complex matrices. The final objective will always be on determining the fundamental parameters of interest to set up an analytical procedure, such as precision and trueness (that together give accuracy), the limits of detection and quantification, selectivity, and especially sensitivity, or attempting to increase this

Research & information: general --- azides --- screen-printed sensors --- poly (3-octylthiophene) --- solid contact potentiometric sensors --- iron-phthalocyanine --- nitron-azide complexes --- microwave-assisted aqueous two-phase extraction --- Solasodine --- alkaloid --- response surface methodology --- high-performance liquid chromatography --- pre-development process --- clotrimazole --- itraconazole --- stability --- method validation --- sporotrichosis --- differential pulse voltammetry --- hydrochlorothiazide --- pyridoxine --- chemometrics --- bioindication --- heavy metals --- urban soil --- Senecio vulgaris --- Poa annua --- Polygonum aviculare --- predictive models --- MIPs --- parabens --- biological matrix --- extraction procedure --- HPLC-PDA --- stationary phase characterization --- phenol --- 3-aminophenol --- wastewater --- SPMMTE --- capillary electrophoresis --- deoxynivalenol --- dcELISA kit --- performance measurement --- development --- grapevine --- bioaccumulation --- biomonitoring --- laser-induced breakdown spectroscopy --- surface pollution --- high voltage insulators --- quantitatively analysis

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The purpose of this volume is to show how in this area the technology, creativity and inventiveness are the basis of new and encouraging results not only in the environmental field but also in the monitoring of xenobiotics of organic and inorganic origin in complex matrices. The final objective will always be on determining the fundamental parameters of interest to set up an analytical procedure, such as precision and trueness (that together give accuracy), the limits of detection and quantification, selectivity, and especially sensitivity, or attempting to increase this

azides --- screen-printed sensors --- poly (3-octylthiophene) --- solid contact potentiometric sensors --- iron-phthalocyanine --- nitron-azide complexes --- microwave-assisted aqueous two-phase extraction --- Solasodine --- alkaloid --- response surface methodology --- high-performance liquid chromatography --- pre-development process --- clotrimazole --- itraconazole --- stability --- method validation --- sporotrichosis --- differential pulse voltammetry --- hydrochlorothiazide --- pyridoxine --- chemometrics --- bioindication --- heavy metals --- urban soil --- Senecio vulgaris --- Poa annua --- Polygonum aviculare --- predictive models --- MIPs --- parabens --- biological matrix --- extraction procedure --- HPLC-PDA --- stationary phase characterization --- phenol --- 3-aminophenol --- wastewater --- SPMMTE --- capillary electrophoresis --- deoxynivalenol --- dcELISA kit --- performance measurement --- development --- grapevine --- bioaccumulation --- biomonitoring --- laser-induced breakdown spectroscopy --- surface pollution --- high voltage insulators --- quantitatively analysis

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In the field of Analytical Chemistry and, in particular, whenever a quali-quantitative analysis is required, until a few years ago, reference was made exclusively to instrumental methods (more or less hyphenated) which, once validated, were able to provide the answers to the questions present, even if only in a limited way to analytical targets. Nowadays, the landscape has become considerably complicated (natural adulterants, assessment of geographical origin, sophistication, need for non-destructive analysis, search for often unknown compounds), and new procedures for processing data have greatly increased the potential of analyses that are conducted (even routinely) in the laboratory. In this scenario, chemometrics is master, able to manage and process a huge amount of information based both on data relating only to the analytes of interest, but also by applying “general” procedures to process raw untargeted analysis data. It is within this strand of analysis that many of the works reported in this Special Issue fall. In the succession of works in this printed version, the criterion that guided us was to highlight how—starting exclusively from chromatographic techniques (HPLC and GC) with conventional detectors and moving to exclusively spectroscopic techniques (MS, FT-IR and Raman)—it is possible arrive at extremely powerful coupled techniques and procedures (HPLC and FT-IR) able to meet research needs. Finally, at the end of the printed volume, there are two reviews that surveying the state of the art regarding the assessment of authenticity through qualitative analyses and the application of chemometrics in the pharmaceutical field in the study of forced drug degradation products. From the succession of works (and, above all, from the various application fields) it can immediately be seen how the application of chemometrics and its procedures to both raw and processed data is a powerful means of obtaining robust, reproducible, and predictive information. In this manner, it is possible to create models able to explain and respond to the original problem in a much more detailed way. , and Honghe through Fourier transform mid infrared (FT-MIR) spectra combined with partial least squares discriminant analysis (PLS-DA), random forest (RF), and hierarchical cluster analysis (HCA) methods. Melucci and collaborators apply chemometric approaches to non-destructive analysis of ATR-FT-IR for the determination of biosilica content. This value was directly evaluated in sediment samples, without any chemical alteration, using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, and the quantification was performed by combining the multivariate standard addition method (MSAM) with the net analyte signal (NAS) procedure to solve the strong matrix effect of sediment samples. Still in the food and food supplements field, Anguebes-Franseschi and collaborators report an article where 10 chemometric models based on Raman spectroscopy were applied to predict the physicochemical properties of honey produced in the state of Campeche, Mexico.

Medicine --- Paris polyphylla Smith var. yunnanensis --- multivariate analysis --- chemometrics --- Fourier transform infrared --- amino acids --- reversed-phase liquid chromatography --- gradient elution --- retention prediction --- artificial neural network --- Macrohyporia cocos --- data fusion --- liquid chromatography --- fourier transform infrared spectroscopy --- partial least squares discriminant analysis --- authentication --- Gastrodia elata tuber --- quality evaluation --- HPLC --- QAMS --- Ranae Oviductus --- identification --- protein --- RP-HPLC --- fingerprint --- fish and seafood --- food authentication --- fingerprinting --- wild and farmed --- geographical origin --- vibrational spectroscopy --- absorption/fluorescence spectroscopy --- nuclear magnetic resonance --- hyperspectral imaging --- saffron --- adulteration --- food authenticity --- gas-chromatography --- eupatorin --- UHPLC-Q-TOF-MS/MS --- metabolism --- in vivo and in vitro --- rat liver microsomes --- rat intestinal flora --- untargeted metabolomics --- PARAFAC2 --- alignment --- gas chromatography–mass spectrometry (GC–MS) --- prostate carcinoma --- forced degradation --- degradation products --- stress test --- diatoms --- biogenic silica --- ATR-FTIR --- NAS --- quality control --- Raman spectroscopy --- honey --- PLS regression models --- physicochemical parameters

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The availability (and the development) of innovative approaches to quantitative analyses and the data processing are often mandatory to deeply characterize a sample and to correctly highlight the analytical target. These objectives are carried out either by simply improving a single aspect of the analytical protocol or by developing a synergy of steps (from extraction to instrumental configuration to chemometric approaches) to obtain the maximum analytical information sought. Examples are innovative extraction protocols (also following the recent guidelines on green analytical chemistry) or new materials for the selective extraction of target compounds, multi-analytes screening methods, and "untargeted" approaches for food applications. In this text, the various articles are attributable to these elements, in particular, we start with a multi-analyte method for the determination of 10 different cannabinoids from Cannabis sativa L. by means of conventional techniques (Mandrioli and coworkers), to then see the application of techniques hyphenated "ultra-fast" by UPLC-MS for the authentication of food products (Xue and coworkers). The work of Song and coworkers on these applications in food products is also interesting, as it highlights how the collection process (and the timing of this passage) can affect the chemical profile and, consequently, the biological activity of Panax ginseng. Mocan and coworkers, applying an innovative extraction technique based on microwaves and applying well-known, robust, and easy-to-use instrumentation, have demonstrated how it is possible to discriminate between various species of Galium and how the chemical profiles obtained can support the biological activities observed. Similarly, but with the aim of developing new sample pretreatment procedures, Maggira and collaborators have developed graphene oxide-based materials for the selective extraction of sulfonamides in milk. Shen and coworkers apply a different type of approach, the "untargeted" one, for the geographical characterization of the Gentian Rigescens for which they combine chemometric techniques for the processing of raw chemical profile data. Wang and coworkers report a multiclass screening of drugs with high-resolution mass spectrometry through which they manage to obtain a high-scale, fast screening method for pesticides in fishery drugs based on ultrahigh-performance liquid chromatography tandem quadrupole-orbitrap high-resolution mass spectrometer.

Research & information: general

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• Reference Manager
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In the field of Analytical Chemistry and, in particular, whenever a quali-quantitative analysis is required, until a few years ago, reference was made exclusively to instrumental methods (more or less hyphenated) which, once validated, were able to provide the answers to the questions present, even if only in a limited way to analytical targets. Nowadays, the landscape has become considerably complicated (natural adulterants, assessment of geographical origin, sophistication, need for non-destructive analysis, search for often unknown compounds), and new procedures for processing data have greatly increased the potential of analyses that are conducted (even routinely) in the laboratory. In this scenario, chemometrics is master, able to manage and process a huge amount of information based both on data relating only to the analytes of interest, but also by applying “general” procedures to process raw untargeted analysis data. It is within this strand of analysis that many of the works reported in this Special Issue fall. In the succession of works in this printed version, the criterion that guided us was to highlight how—starting exclusively from chromatographic techniques (HPLC and GC) with conventional detectors and moving to exclusively spectroscopic techniques (MS, FT-IR and Raman)—it is possible arrive at extremely powerful coupled techniques and procedures (HPLC and FT-IR) able to meet research needs. Finally, at the end of the printed volume, there are two reviews that surveying the state of the art regarding the assessment of authenticity through qualitative analyses and the application of chemometrics in the pharmaceutical field in the study of forced drug degradation products. From the succession of works (and, above all, from the various application fields) it can immediately be seen how the application of chemometrics and its procedures to both raw and processed data is a powerful means of obtaining robust, reproducible, and predictive information. In this manner, it is possible to create models able to explain and respond to the original problem in a much more detailed way. , and Honghe through Fourier transform mid infrared (FT-MIR) spectra combined with partial least squares discriminant analysis (PLS-DA), random forest (RF), and hierarchical cluster analysis (HCA) methods. Melucci and collaborators apply chemometric approaches to non-destructive analysis of ATR-FT-IR for the determination of biosilica content. This value was directly evaluated in sediment samples, without any chemical alteration, using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, and the quantification was performed by combining the multivariate standard addition method (MSAM) with the net analyte signal (NAS) procedure to solve the strong matrix effect of sediment samples. Still in the food and food supplements field, Anguebes-Franseschi and collaborators report an article where 10 chemometric models based on Raman spectroscopy were applied to predict the physicochemical properties of honey produced in the state of Campeche, Mexico.

Paris polyphylla Smith var. yunnanensis --- multivariate analysis --- chemometrics --- Fourier transform infrared --- amino acids --- reversed-phase liquid chromatography --- gradient elution --- retention prediction --- artificial neural network --- Macrohyporia cocos --- data fusion --- liquid chromatography --- fourier transform infrared spectroscopy --- partial least squares discriminant analysis --- authentication --- Gastrodia elata tuber --- quality evaluation --- HPLC --- QAMS --- Ranae Oviductus --- identification --- protein --- RP-HPLC --- fingerprint --- fish and seafood --- food authentication --- fingerprinting --- wild and farmed --- geographical origin --- vibrational spectroscopy --- absorption/fluorescence spectroscopy --- nuclear magnetic resonance --- hyperspectral imaging --- saffron --- adulteration --- food authenticity --- gas-chromatography --- eupatorin --- UHPLC-Q-TOF-MS/MS --- metabolism --- in vivo and in vitro --- rat liver microsomes --- rat intestinal flora --- untargeted metabolomics --- PARAFAC2 --- alignment --- gas chromatography–mass spectrometry (GC–MS) --- prostate carcinoma --- forced degradation --- degradation products --- stress test --- diatoms --- biogenic silica --- ATR-FTIR --- NAS --- quality control --- Raman spectroscopy --- honey --- PLS regression models --- physicochemical parameters