Taking the leap between analytical chemistry and artificial intelligence: A tutorial review

LB Ayres, FJV Gomez, JR Linton, MF Silva… - Analytica Chimica …, 2021 - Elsevier
The last 10 years have witnessed the growth of artificial intelligence into different research
areas, emerging as a vibrant discipline with the capacity to process large amounts of …

Advanced chemometric and data handling tools for GCŨGC-TOF-MS: Application of chemometrics and related advanced data handling in chemical separations

PH Stefanuto, A Smolinska, JF Focant - TrAC Trends in Analytical …, 2021 - Elsevier
Comprehensive two-dimensional gas chromatography coupled to mass spectrometry (GC×
GC-MS) has become a mature technique. GC× GC-MS can now be used to conduct large …

Comprehensive two-dimensional gas chromatography advances in technology and applications: biennial update

MSS Amaral, Y Nolvachai, PJ Marriott - Analytical chemistry, 2019 - ACS Publications
(GC× GC) method, surely it is the excitement engendered by a well-designed separation that
has captured the attention, fascinated, and sustained proponents and users throughout the …

Chromatographic fingerprinting by comprehensive two-dimensional chromatography: Fundamentals and tools

F Stilo, C Bicchi, AM Jimenez-Carvelo… - TrAC Trends in …, 2021 - Elsevier
This contribution reviews state-of-the approaches for chromatographic fingerprinting of 2D
peak patterns. Concepts of sample's fingerprint and profile, as established in metabolomics …

Recent applications of chemometrics in one‐and two‐dimensional chromatography

TS Bos, WC Knol, SRA Molenaar… - Journal of separation …, 2020 - Wiley Online Library
The proliferation of increasingly more sophisticated analytical separation systems, often
incorporating increasingly more powerful detection techniques, such as high‐resolution …

Data mining/machine learning methods in foodomics

AM Jimenez-Carvelo, L Cuadros-Rodríguez - Current Opinion in Food …, 2021 - Elsevier
Highlights•The terms used in foodomic data analysis are discussed and defined.•Data
analysis step is described when the untargeted approach is employed.•The main data …

Role of gas chromatography and olfactometry to understand the wine aroma: Achievements denoted by multidimensional analysis

JE Welke, KC Hernandes, KP Nicolli… - Journal of separation …, 2021 - Wiley Online Library
The human nose has been used as a detector in gas chromatography analysis to evaluate
odoriferous compounds related to aroma and quality of wine. Several olfactometric …

Boosting comprehensive two-dimensional chromatography with artificial intelligence: Application to food-omics

A Caratti, S Squara, C Bicchi, E Liberto… - TrAC Trends in …, 2024 - Elsevier
The unceasing evolution of analytical instrumentation determines an exponential increase of
data production, which in turn boosts new cutting-edge analytical challenges, requiring a …

Delineating the extra-virgin olive oil aroma blueprint by multiple headspace solid phase microextraction and differential-flow modulated comprehensive two …

F Stilo, MDPS Borrego, C Bicchi, S Battaglino… - … of Chromatography A, 2021 - Elsevier
Comprehensive two-dimensional gas chromatography with parallel mass spectrometry and
flame ionization detection (GC× GC-MS/FID) enables effective chromatographic …

Investigation of the limit of discovery using tile-based Fisher ratio analysis with comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry

PE Sudol, GS Ochoa, RE Synovec - Journal of Chromatography A, 2021 - Elsevier
Comprehensive two-dimensional gas chromatography coupled with time-of-flight mass
spectrometry (GC× GC-TOFMS) is followed by tile-based Fisher ratio (F-ratio) analysis to …