(1) Hedges, J. I.; Keil, R. G.; Benner, R. What happens to terrestrial
organic matter in the ocean? Org. Geochem. 1997, 27, 195−212.
(2) Gledhill, M.; Hollister, A.; Seidel, M.; Zhu, K.; Achterberg, E. P.;
Dittmar, T.; Koschinsky, A. Trace metal stoichiometry of dissolved
organic matter in the Amazon plume. Sci. Adv. 2022, 8, No. eabm2249.
(3) Kellerman, A. M.; Dittmar, T.; Kothawala, D. N.; Tranvik, L. J.
Chemodiversity of dissolved organic matter in lakes driven by climate
and hydrology. Nat. Commun. 2014, 5, 3804.
(4) Riedel, T.; Zark, M.; Vähätalo, A. V.; Niggemann, J.; Spencer, R.
G. M.; Hernes, P. J.; Dittmar, T. Molecular signatures of
biogeochemical transformations in dissolved organic matter from
ten world rivers. Front. Earth Sci. 2016, 4, 85.
(5) Kothawala, D. N.; Stedmon, C. A.; Müller, R. A.; Weyhenmeyer,
G. A.; Köhler, S. J.; Tranvik, L. J. Controls of dissolved organic matter
quality: evidence from a large-scale boreal lake survey. Glob. Chang.
Biol. 2014, 20, 1101−1114.
(6) Williams, C. J.; Yamashita, Y.; Wilson, H. F.; Jaffé, R.;
Xenopoulos, M. A. Unraveling the role of land use and microbial
activity in shaping dissolved organic matter characteristics in stream
ecosystems. Limnol. Oceanogr. 2010, 55, 1159−1171.
5472
https://doi.org/10.1021/acs.est.3c00249
Environ. Sci. Technol. 2023, 57, 5464−5473
Environmental Science & Technology
pubs.acs.org/est
composition and dynamics in a subtropical mangrove river driven by
rainfall. Estuar. Coast Shelf Sci. 2019, 223, 6−17.
(28) Lam, B.; Simpson, A. J. Direct 1H NMR spectroscopy of
dissolved organic matter in natural waters. Analyst 2008, 133, 263−
269.
(29) Kida, M.; Sato, H.; Okumura, A.; Igarashi, H.; Fujitake, N.
Introduction of DEAE Sepharose for isolation of dissolved organic
matter. Limnology 2019, 20, 153.
(30) Dittmar, T.; Koch, B.; Hertkorn, N.; Kattner, G. A simple and
efficient method for the solid-phase extraction of dissolved organic
matter (SPE-DOM) from seawater. Limnol. Oceanogr. Methods 2008,
6, 230−235.
(31) Green, N. W.; Perdue, E. M.; Aiken, G. R.; Butler, K. D.; Chen,
H.; Dittmar, T.; Niggemann, J.; Stubbins, A. An intercomparison of
three methods for the large-scale isolation of oceanic dissolved
organic matter. Mar. Chem. 2014, 161, 14−19.
(32) Koch, B. P.; Dittmar, T. From mass to structure: an aromaticity
index for high-resolution mass data of natural organic matter. Rapid
Commun. Mass Spectrom. 2016, 30, 250.
(33) Flerus, R.; Lechtenfeld, O. J.; Koch, B. P.; McCallister, S. L.;
Schmitt-Kopplin, P.; Benner, R.; Kaiser, K.; Kattner, G. A molecular
perspective on the ageing of marine dissolved organic matter.
Biogeosciences 2012, 9, 1935−1955.
(34) R Core Team. R. A Language and Environment for Statistical
Computing; R Foundation for Statistical Computing: Vienna, Austria,
2019.
(35) Mentges, A.; Feenders, C.; Seibt, M.; Blasius, B.; Dittmar, T.
Functional Molecular Diversity of Marine Dissolved Organic Matter
Is Reduced during Degradation. Front. Mar. Sci. 2017, 4, 9.
(36) Riedel, T.; Dittmar, T. A method detection limit for the analysis
of natural organic matter via Fourier transform ion cyclotron
resonance mass spectrometry. Anal. Chem. 2014, 86, 8376−8382.
(37) LaRowe, D. E.; Van Cappellen, P. Degradation of natural
organic matter: A thermodynamic analysis. Geochim. Cosmochim. Acta
2011, 75, 2030−2042.
(38) Lin, J. Divergence measures based on the Shannon entropy.
IEEE Trans. Inf. Theory 1991, 37, 145−151.
(39) Borcard, D.; Gillet, F.; Legendre, P. Numerical Ecology with R;
Use R!; Springer International Publishing; Cham, 2018.
(40) Oksanen, J.; Simpson, G.; Blanchet, G.; Kindt, R.; Legendre, P.;
Minchin, P.; O’Hara, R. B.; Solymos, P.; Stevens, H.; Szoecs, E.;
Wagner, H.; Barbour, M.; Bedward, M.; Bolker, B.; Borcard, D.;
Carvalho, G.; Chirico, M.; De Caceres, M.; Durand, S.; Evangelista,
H.; FitzJohn, R.; Friendly, M.; Furneaux, B.; Hannigan, G.; Hill, O.;
Lahti, L.; McGlinn, D.; Ouellette, M.; Cunha, C.; Smith, T.; Stier, A.;
Ter Braak, J.; Weedon, J. Vegan: Community Ecology Package, 2019.
(41) Roberts, D. W. Labdsv: Ordination and Multivariate Analysis for
Ecology, 2019.
(42) Dufrene, M.; Legendre, P. Species assemblages and indicator
species: The need for a flexible asymmetrical approach. Ecol. Monogr.
1997, 67, 345.
(43) Benjamini, Y.; Hochberg, Y. Controlling the false discovery
rate: A practical and powerful approach to multiple testing. J. R. Stat.
Soc. Ser. B 1995, 57, 289−300.
(44) Hothorn, T.; Hornik, K.; Zeileis, A. Unbiased Recursive
Partitioning: A Conditional Inference Framework. J. Comput. Graph.
Stat. 2006, 15, 651−674.
(45) Mantel, N. The detection of disease clustering and a
generalized regression approach. Cancer Res. 1967, 27, 209−220.
(46) Legendre, P.; Legendre, L. Interpretation of ecological
structures. Numerical Ecology, 3rd ed.; Elsevier, 2012; Chapter 10.
(47) Hijmans, R. J.; Karney, C.; Williams, E.; Vennes, C. Geosphere:
Spherical Trigonometry, 2021.
(48) Schwarz, G. Estimating the dimension of a model. Ann. Stat.
1978, 6, 461.
(49) Rigby, R. A.; Stasinopoulos, D. M. Generalized additive models
for location, scale and shape (with discussion). J. R. Stat. Soc. Ser. C
Appl. Stat. 2005, 54, 507−554.
Article
(50) Lüdecke, D. ggeffects: Tidy Data Frames of Marginal Effects
from Regression Models. J. Open Source Softw. 2018, 3, 772.
(51) Rigby, R. A.; Stasinopoulos, D. M. Generalized additive models
for location, scale and shape (with discussion). J. R. Stat. Soc. Ser. C
Appl.Stat. 2005, 54, 507−554.
(52) Pautler, B. G.; Simpson, A. J. A. J.; Simpson, M. J.; Tseng, L.H.; Spraul, M.; Dubnick, A.; Sharp, M. J.; Fitzsimons, S. J.; Simpson,
M. J.; Tseng, L.-H.; et al. Detection and structural identification of
dissolved organic matter in Antarctic glacial ice at natural abundance
by SPR-W5-WATERGATE 1H NMR spectroscopy. Environ. Sci.
Technol. 2011, 45, 4710−4717.
(53) Fichot, C. G.; Benner, R. The spectral slope coefficient of
chromophoric dissolved organic matter (S275-295) as a tracer of
terrigenous dissolved organic carbon in river-influenced ocean
margins. Limnol. Oceanogr. 2012, 57, 1453−1466.
(54) Helms, J. R.; Stubbins, A.; Ritchie, J. D.; Minor, E. C.; Kieber,
D. J.; Mopper, K. Absorption spectral slopes and slope ratios as
indicators of molecular weight, source, and photobleaching of
chromophoric dissolved organic matter. Limnol. Oceanogr. 2008, 53,
955−969.
(55) Stubbins, A.; Dittmar, T. Illuminating the deep: Molecular
signatures of photochemical alteration of dissolved organic matter
from North Atlantic Deep Water. Mar. Chem. 2015, 177, 318−324.
(56) Riedel, T.; Biester, H.; Dittmar, T. Molecular Fractionation of
Dissolved Organic Matter with Metal Salts. Environ. Sci. Technol.
2012, 46, 4419−4426.
(57) Timko, S. A.; Gonsior, M.; Cooper, W. J. Influence of pH on
fluorescent dissolved organic matter photo-degradation. Water Res.
2015, 85, 266−274.
(58) Gomez-Saez, G. V.; Dittmar, T.; Holtappels, M.; Pohlabeln, A.
M.; Lichtschlag, A.; Schnetger, B.; Boetius, A.; Niggemann, J.
Sulfurization of dissolved organic matter in the anoxic water column
of the Black Sea. Sci. Adv. 2021, 7, No. eabf6199.
(59) Gomez-Saez, G. V.; Pohlabeln, A. M.; Stubbins, A.; Marsay, C.
M.; Dittmar, T. Photochemical Alteration of Dissolved Organic Sulfur
from Sulfidic Porewater. Environ. Sci. Technol. 2017, 51, 14144−
14154.
5473
https://doi.org/10.1021/acs.est.3c00249
Environ. Sci. Technol. 2023, 57, 5464−5473
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