<i>i</i>‐Chemometrics

Vandeginste, B.G.M.

doi:10.1002/cem.2722

Journal of Chemometrics

2015

DOI: 10.1002/cem.2722

|View full text |Cite

i‐Chemometrics

B.G.M. Vandeginste

Abstract: When I was a young scientist, it was rare for me to read publications that were over 10 years old. How does one know what interesting information lies in publications older than oneself? A great deal of people investigate the roots of their family, likewise a scientist may also be interested in the roots of their science. This account attempts to achieve both: to provide some direction toward old and interesting literature and to share my passion of Chemometrics. Copyright © 2015 John Wiley & Sons, Ltd.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2016

2023

Publication Types

Select...

Article2

Relationship

Self Cite0

Independent2

Authors

Journals

Cited by 2 publications

References 45 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

The chemometrics revolution re‐examined

Brown

2016

Journal of Chemometrics

View full text Add to dashboard Cite

A historical perspective of the development of chemometrics as a field is given. Special attention is given to early workers in the analysis and modeling of chemical data in an effort to show how the field evolved from a broad, mostly statistical discipline to a more narrowly focused field focused on multivariate predictive analysis. A discussion of the relationships of chemometrics with statistics, chemical modeling, and analytical chemistry is provided to show how early conflicts have shaped and continue to shape the field. The author considers the state of the field now and makes suggestions for the way in which chemometrics should change to remain vital in the rapidly changing area of data analysis.

show abstract

The chemometrics revolution re‐examined

Brown

2016

Journal of Chemometrics

View full text Add to dashboard Cite

show abstract

Chemometric Approach for Profiling of Metabolites of Potential Antioxidant Activity in Apiaceae Species Based on LC-PDA-ESI-MS/MS and FT-NIR

et al. 2023

View full text Add to dashboard Cite

Chemometrics is a tool for data mining and unlocking the door for solving big data queries. Apiaceae is a family species which is commonly cultivated worldwide. Although members of this species are widely used as antioxidant, antibacterial, antifungal, and anti-inflammatory agents, their metabolites profiling remains ambiguous. Based on WHO support, chemometrics has been used in evaluating the quality and authenticity of the herbal products. The objective of this study is to profile and characterize phenolic metabolites in nine species from Egyptian cultivars and three different species of German cultivars from the Apiaceae family using multivariate analysis after LC-PDA-ESI-MS/MS and near infrared spectroscopy data are generated. Principal component analysis was successfully applied to distinguish between the nine Egyptian cultivars and the three German cultivars, and hierarchical cluster analysis also confirmed this distinctive clustering. Partial least square regression (PLS-R) models showed a relationship between phytochemicals and antioxidant activities. The metabolites responsible for the clustering pattern and variables important for projection (VIP) were identified, being twelve amongst nine Egyptian cultivar samples and thirteen amongst the Egyptian cultivar and the German cultivar comparison. The identified VIPs were also correlated with the antioxidant activity using PLS-R. In conclusion, the study showed novelty in the application of hyphenated analytical techniques and chemometrics that assist in quality control of herbal medicine.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

334 Leonard St

Brooklyn, NY 11211

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

i‐Chemometrics

Cited by 2 publications

References 45 publications

The chemometrics revolution re‐examined

The chemometrics revolution re‐examined

Chemometric Approach for Profiling of Metabolites of Potential Antioxidant Activity in Apiaceae Species Based on LC-PDA-ESI-MS/MS and FT-NIR

Contact Info

Product

Resources

About