chemometrics

Chapter 5. NMR methodologies in food analysis

Nuclear Magnetic Resonance (NMR) methodologies offer a comprehensive characterization of foodstuffs owing to the possibility to study a sample from different points of view including structural, compositional, functional, morphological etc. aspects. High resolution NMR spectroscopy applied to semi-solid food samples or to extracts in solution is used to determine the foodstuff composition. Here, some features of high resolution NMR methodologies related to food analysis such as quantitative analysis, chemometrics, and use of databases are included.

Chemometrics in analytical chemistry-part I: history, experimental design and data analysis tools

Chemometrics has achieved major recognition and progress in the analytical chemistry field. In the first part of this tutorial, major achievements and contributions of chemometrics to some of the more important stages of the analytical process, like experimental design, sampling, and data analysis (including data pretreatment and fusion), are summarised. The tutorial is intended to give a general updated overview of the chemometrics field to further contribute to its dissemination and promotion in analytical chemistry.

Comparison of NIR spectroscopy coupled to chemometrics and derivative thermogravimetry for relative dating of human fossil bones

The possibility of using near-infrared spectroscopy (NIR) coupled to chemometric exploratory data processing in order to obtain a fast, cheap and nondestructive dating of human fossil bones is presented and discussed. The proposed approach has been applied to the differentiation of human fossil bones from two necropolises in the Middle Nile (Saggai and Geili).

Volatile fraction analysis by HS-SPME/GC-MS and chemometric modeling for traceability of apples cultivated in the Northeast Italy

The present study aimed at characterising the flavour composition of apple cultivars grown in the Northeast Italy through different cultivation methods, by combining Head Space-Solid Phase Micro Extraction/Gas Chromatography Mass Spectrometry (HS-SPME/GC-MS) analysis of volatile fraction with chemometric tools for class modeling. In order to represent the overall production in the target area, the investigation included 42 apples varieties consisting of ancient, non-native and new hybrid cultivars grown in Friuli Venezia Giulia and Alto Adige-South Tyrol, respectively.

The “Metabolic biomarkers of frailty in older people with type 2 diabetes mellitus” (MetaboFrail) study. Rationale, design and methods

Type 2 diabetes mellitus (T2DM) is a leading cause of disability globally. Frailty is a high-impact geriatric condition that increases the risk of negative health outcomes and imposes remarkable health and social burden. Both frailty and T2DM show multifaceted pathophysiology, phenotypic heterogeneity, and fluctuating manifestations that challenge their management, especially when the two conditions co-occur.

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