Multivariate Autofluorescence of Intact Food Systems

Christensen, Jakob; Nørgaard, Lars; Bro, Rasmus; Engelsen, Søren Balling

doi:10.1021/cr050019q

Cited by 258 publications

(112 citation statements)

References 125 publications

(296 reference statements)

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“…The chemometric experience in multi-way modelling of fluorescence landscapes from a PAT study in the beet sugar industry [38,40] was of principal practical and theoretical importance and was published in textbooks [2(I) p. 17, [41]]. The work since then to exploit auto-fluorescence for analytic applications by the chemometric and spectroscopy group at KU-Life has recently been summarised by Christensen, et al [42] in Chemical Reviews. Søren Balling Engelsen and Rasmus Bro have recently developed an exploratory non-iterative method for curve resolution that requires no initial guesses called 'Power Slicing' [43] for use in nuclear magnetic resonance (NMR) spectroscopy.…”

Section: The Data Structure As An Inspiration For Developing New Mathmentioning

confidence: 99%

A new holistic exploratory approach to Systems Biology by Near Infrared Spectroscopy evaluated by chemometrics and data inspection

Munck

2007

Journal of Chemometrics

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There is a need for an improved biological and theoretical interpretation of Near Infra‐Red Spectral (NIRS) fingerprints from tissues that could contribute with holistic overview to fine‐grained detail modelled in Systems Biology. The concept of gene expression in self‐organised networks was experimentally tested in a barley endosperm model with molecularly defined and undefined mutants. Surprisingly reproducible gene‐specific NIRS fingerprints were observed directly in log1/R MSC pre‐treated spectra that could not be accurately represented by destructive mathematical models. A mutant spectrum in an isogenic background represents the physiochemical expression of the gene in the whole network (tissue). The necessary holistic overview that is needed experimentally to introduce Ilya Prigogine's theory on self‐organisation in Systems Biology was supplied by defining the spectral phenome. Interval spectral information on genotypes and environment was classified by interval Extended Canonical Variates Analysis (iECVA). Genetic changes in spectra were interpreted by interval Partial Least Squares Regression (iPLSR) correlations to chemical variables. A new pathway regulation was detected. The finely grained ‘bottom up’ modelling of molecular and chemical data from pathways requires a coarsely grained exploratory ‘top down’ overview by NIRS to account for the outcome of self‐organisation. The amplification of expression from a gene to the phenome (pleiotropy) can now for the first time be quantified as a whole reproducible phenomenological pattern by NIRS and compared to other gene spectra. It explains published findings that transformed respectively mutated genes in genetically modified organisms (GMOs) and cancer patients can be detected unsupervised from tissues by spectroscopy, chemometrics and data inspection. Copyright © 2007 John Wiley & Sons, Ltd.

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Section: The Data Structure As An Inspiration For Developing New Mathmentioning

confidence: 99%

A new holistic exploratory approach to Systems Biology by Near Infrared Spectroscopy evaluated by chemometrics and data inspection

Munck

2007

Journal of Chemometrics

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“…In recent years, a remarkable growth in the use of fluorescence in food analysis has been observed (Christensen et al, 2006;Sadecka & Tothova, 2007;Karoui & Blecker, 2011). Vegetable oils including olive oil constitute an important group of food products for which fluorescence was successfully applied.…”

Section: Introductionmentioning

confidence: 99%

“…A unique feature of fluorescence, distinguishing it from other spectroscopic techniques, is its inherently multidimensional character (Christensen et al, 2006). Excitation of molecules results from absorption of radiation at the energy corresponding to the energy difference between the ground and excited states of a given fluorophore.…”

Section: Introductionmentioning

confidence: 99%

Analysis of Olive Oils by Fluorescence Spectroscopy: Methods and Applications

Sikorska¹,

Khmelinskii²,

Sikorski³

2012

Olive Oil - Constituents, Quality, Health Properties and Bioconversions

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“…chemometrics). Proper use of chemometric data analysis on MDF data requires careful consideration of sample photo-physics and an in-depth understanding of the methods [64,65] and their use [66][67][68][69][70]. The initial and final steps in the implementation of EEM/SFS-based analytical methods generally requires the use of chemometrics, first to assess the reproducibility and robustness of the measurement itself, and second to produce an output in terms of a qualitative result or quantitative value.…”

Section: Chemometric Data Analysis For Calibration and Validationmentioning

confidence: 99%

“…With the physical measurement comes the increased use of chemometric data analysis, in essence a "mathematical chromatography" [1,107]. These include, amongst others, the characterization of natural organic matter in soil and aquatic ecosystems [72,108,109], oil-spill forensics [110] and oil characterization [6,111], monitoring of food quality and production [67,71,112], and diagnostics on body fluids e.g. [113,114].…”

Section: Recommendations and Perspectivesmentioning

confidence: 99%

Calibration, standardization, and quantitative analysis of multidimensional fluorescence (MDF) measurements on complex mixtures (IUPAC Technical Report)

Ryder

Stedmon

Harrit

et al. 2017

Pure and Applied Chemistry

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This IUPAC Technical Report describes and compares the currently applied methods for the calibration and standardization of multi-dimensional fluorescence (MDF) spectroscopy data as well as recommendations on the correct use of chemometric methods for MDF data analysis. The paper starts with a brief description of the measurement principles for the most important MDF techniques and a short introduction to the most important applications. Recommendations are provided for instrument calibration, sample preparation and handling, and data collection, as well as the proper use of chemometric data analysis methods.

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Multivariate Autofluorescence of Intact Food Systems

Cited by 258 publications

References 125 publications

A new holistic exploratory approach to Systems Biology by Near Infrared Spectroscopy evaluated by chemometrics and data inspection

A new holistic exploratory approach to Systems Biology by Near Infrared Spectroscopy evaluated by chemometrics and data inspection

Analysis of Olive Oils by Fluorescence Spectroscopy: Methods and Applications

Calibration, standardization, and quantitative analysis of multidimensional fluorescence (MDF) measurements on complex mixtures (IUPAC Technical Report)

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