The Molecular Fingerprint of Fluorescent Natural Organic Matter Offers Insight into Biogeochemical Sources and Diagenetic State
Artikel i vetenskaplig tidskrift, 2018

Investigating the biogeochemistry of dissolved organic matter (DOM) requires the synthesis of data from several complementary analytical techniques. The traditional approach to data synthesis is to search for correlations between measurements made on the same sample using different instruments. In contrast, data fusion simultaneously decomposes data from multiple instruments into the underlying shared and unshared components. Here, Advanced Coupled Matrix and Tensor Factorization (ACMTF) was used to identify the molecular fingerprint of DOM fluorescence fractions in Arctic fjords. ACMTF explained 99.84% of the variability with six fully shared components. Individual molecular formulas were linked to multiple fluorescence
components and vice versa. Molecular fingerprints differed in diversity and oceanographic patterns, suggesting a link to the biogeochemical sources and diagenetic state of DOM. The fingerprints obtained through ACMTF were more specific compared to traditional correlation analysis and yielded greater compositional insight. Multivariate data fusion aligns extremely complex, heterogeneous DOM data sets and thus facilitates a more holistic understanding of DOM biogeochemistry.

Författare

Urban Wuensch

Chalmers, Arkitektur och samhällsbyggnadsteknik, Vatten Miljö Teknik

Evrim Acar

Simula Metropolitan Center for Digital Engineering

Boris P. Koch

Helmholtz

Kathleen Murphy

Chalmers, Arkitektur och samhällsbyggnadsteknik, Vatten Miljö Teknik

Philippe Schmitt-Kopplin

Helmholtz

Analytical Chemistry

0003-2700 (ISSN) 1520-6882 (eISSN)

Vol. 90 24 14188-14198

Förbättrad specificitet för övervakning av dricksvattenbehandling

Formas (2017-00743), 2018-01-01 -- 2020-12-31.

Ämneskategorier

Analytisk kemi

Oceanografi, hydrologi, vattenresurser

Miljövetenskap

DOI

10.1021/acs.analchem.8b02863

PubMed

30449083

Mer information

Senast uppdaterat

2022-02-02