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Advances in Chemical Analysis Procedures (Part II) : Statistical and Chemometric Approaches



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Autore: Locatelli Marcello Visualizza persona
Titolo: Advances in Chemical Analysis Procedures (Part II) : Statistical and Chemometric Approaches Visualizza cluster
Pubblicazione: Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020
Descrizione fisica: 1 electronic resource (224 p.)
Soggetto topico: Medicine
Soggetto non controllato: 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
Persona (resp. second.): SamanidouVictoria
TartagliaAngela
MelucciDora
KabirAbuzar
UlusoyHalil Ibrahim
LocatelliMarcello
Sommario/riassunto: 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.
Altri titoli varianti: Advances in Chemical Analysis Procedures
Titolo autorizzato: Advances in Chemical Analysis Procedures (Part II)  Visualizza cluster
Formato: Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione: Inglese
Record Nr.: 9910557507103321
Lo trovi qui: Univ. Federico II
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