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Article ; Online: The role of fecal sulfur metabolome in inflammatory bowel diseases.

Walker, Alesia / Schmitt-Kopplin, Philippe

International journal of medical microbiology : IJMM

2021 Volume 311, Issue 5, Page(s) 151513

Abstract: Sulfur metabolism and sulfur-containing metabolites play an important role in the human digestive system, and sulfur compounds and pathways are associated with inflammatory bowel diseases (IBD). In fact, cysteine metabolism results in the production of ... ...

Abstract	Sulfur metabolism and sulfur-containing metabolites play an important role in the human digestive system, and sulfur compounds and pathways are associated with inflammatory bowel diseases (IBD). In fact, cysteine metabolism results in the production of taurine and sulfate, and gut microbes catabolize them into hydrogen sulfide, a signaling molecule with various biological functions. Besides metabolites originating from sulfur metabolism, several other sulfur-containing metabolites of different classes were detected in human feces, consisting of non-volatile and volatile compounds. Sulfated steroids and bile acids such as taurine-conjugated bile acids are the major classes along with sulfur amino acids and sulfur-containing peptides. Indeed, sulfur-containing metabolites were described in stool samples from healthy subjects, patients suffering from colorectal cancer or IBD. In metabolomics-driven studies, around 50 known sulfur-containing metabolites were linked to IBD. Taurine, taurocholic acid, taurochenodeoxycholic acid, methionine, methanethiol and hydrogen sulfide were regularly reported in IBD studies, and most of them were elevated in stool samples from IBD patients. We summarized from this review that there is strong interplay between perturbed gut microbiota in IBD, and the consistently higher abundance of sulfur-containing metabolites, which potentially represent substrates for sulfidogenic bacteria such as Bilophila or Escherichia and promote their growth. These bacteria might shift their metabolism towards the degradation of taurine and cysteine and therefore to a higher hydrogen sulfide production.
MeSH term(s)	Feces ; Gastrointestinal Microbiome ; Humans ; Inflammatory Bowel Diseases ; Metabolome ; Sulfur
Chemical Substances	Sulfur (70FD1KFU70)
Language	English
Publishing date	2021-06-10
Publishing country	Germany
Document type	Journal Article ; Review
ZDB-ID	2006518-8
ISSN	1618-0607 ; 1438-4221
ISSN (online)	1618-0607
ISSN	1438-4221
DOI	10.1016/j.ijmm.2021.151513
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Article ; Online: Unraveling the interplay between root exudates, microbiota, and rhizosheath formation in pearl millet.

Alahmad, Abdelrahman / Harir, Mourad / Fochesato, Sylvain / Tulumello, Joris / Walker, Alesia / Barakat, Mohamed / Ndour, Papa Mamadou Sitor / Schmitt-Kopplin, Philippe / Cournac, Laurent / Laplaze, Laurent / Heulin, Thierry / Achouak, Wafa

Microbiome

2024 Volume 12, Issue 1, Page(s) 1

Abstract: Background: The rhizosheath, a cohesive soil layer firmly adhering to plant roots, plays a vital role in facilitating water and mineral uptake. In pearl millet, rhizosheath formation is genetically controlled and influenced by root exudates. Here, we ... ...

Abstract	Background: The rhizosheath, a cohesive soil layer firmly adhering to plant roots, plays a vital role in facilitating water and mineral uptake. In pearl millet, rhizosheath formation is genetically controlled and influenced by root exudates. Here, we investigated the impact of root exudates on the microbiota composition, interactions, and assembly processes, and rhizosheath structure in pearl millet using four distinct lines with contrasting soil aggregation abilities. Results: Utilizing 16S rRNA gene and ITS metabarcoding for microbiota profiling, coupled with FTICR-MS metabonomic analysis of metabolite composition in distinct plant compartments and root exudates, we revealed substantial disparities in microbial diversity and interaction networks. The ß-NTI analysis highlighted bacterial rhizosphere turnover driven primarily by deterministic processes, showcasing prevalent homogeneous selection in root tissue (RT) and root-adhering soil (RAS). Conversely, fungal communities were more influenced by stochastic processes. In bulk soil assembly, a combination of deterministic and stochastic mechanisms shapes composition, with deterministic factors exerting a more pronounced role. Metabolic profiles across shoots, RT, and RAS in different pearl millet lines mirrored their soil aggregation levels, emphasizing the impact of inherent plant traits on microbiota composition and unique metabolic profiles in RT and exudates. Notably, exclusive presence of antimicrobial compounds, including DIMBOA and H-DIMBOA, emerged in root exudates and RT of low aggregation lines. Conclusions: This research underscores the pivotal influence of root exudates in shaping the root-associated microbiota composition across pearl millet lines, entwined with their soil aggregation capacities. These findings underscore the interconnectedness of root exudates and microbiota, which jointly shape rhizosheath structure, deepening insights into soil-plant-microbe interactions and ecological processes shaping rhizosphere microbial communities. Deciphering plant-microbe interactions and their contribution to soil aggregation and microbiota dynamics holds promise for the advancement of sustainable agricultural strategies. Video Abstract.
MeSH term(s)	Pennisetum/genetics ; RNA, Ribosomal, 16S/genetics ; RNA, Ribosomal, 16S/metabolism ; Plant Roots/microbiology ; Microbiota ; Soil/chemistry ; Plants/microbiology ; Exudates and Transudates ; Soil Microbiology ; Rhizosphere
Chemical Substances	RNA, Ribosomal, 16S ; Soil
Language	English
Publishing date	2024-01-03
Publishing country	England
Document type	Video-Audio Media ; Journal Article
ZDB-ID	2697425-3
ISSN	2049-2618 ; 2049-2618
ISSN (online)	2049-2618
ISSN	2049-2618
DOI	10.1186/s40168-023-01727-3
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Article ; Online: Molecular characterization of sequence-driven peptide glycation.

Berger, Michelle T / Hemmler, Daniel / Walker, Alesia / Rychlik, Michael / Marshall, James W / Schmitt-Kopplin, Philippe

Scientific reports

2021 Volume 11, Issue 1, Page(s) 13294

Abstract: Peptide glycation is an important, yet poorly understood reaction not only found in food but also in biological systems. The enormous heterogeneity of peptides and the complexity of glycation reactions impeded large-scale analysis of peptide derived ... ...

Abstract	Peptide glycation is an important, yet poorly understood reaction not only found in food but also in biological systems. The enormous heterogeneity of peptides and the complexity of glycation reactions impeded large-scale analysis of peptide derived glycation products and to understand both the contributing factors and how this affects the biological activity of peptides. Analyzing time-resolved Amadori product formation, we here explored site-specific glycation for 264 peptides. Intensity profiling together with in-depth computational sequence deconvolution resolved differences in peptide glycation based on microheterogeneity and revealed particularly reactive peptide collectives. These peptides feature potentially important sequence patterns that appear in several established bio- and sensory-active peptides from independent sources, which suggests that our approach serves system-wide applicability. We generated a pattern peptide map and propose that in peptide glycation the herein identified molecular checkpoints can be used as indication of sequence reactivity.
MeSH term(s)	Amino Acid Sequence ; Gas Chromatography-Mass Spectrometry ; Humans ; Mass Spectrometry ; Monosaccharides/metabolism ; Peptides/genetics ; Peptides/metabolism
Chemical Substances	Monosaccharides ; Peptides
Language	English
Publishing date	2021-06-24
Publishing country	England
Document type	Journal Article
ZDB-ID	2615211-3
ISSN	2045-2322 ; 2045-2322
ISSN (online)	2045-2322
ISSN	2045-2322
DOI	10.1038/s41598-021-92413-7
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Article: Longitudinal Profiles of Dietary and Microbial Metabolites in Formula- and Breastfed Infants.

Sillner, Nina / Walker, Alesia / Lucio, Marianna / Maier, Tanja V / Bazanella, Monika / Rychlik, Michael / Haller, Dirk / Schmitt-Kopplin, Philippe

Frontiers in molecular biosciences

2021 Volume 8, Page(s) 660456

Abstract: The early-life metabolome of the intestinal tract is dynamically influenced by colonization of gut microbiota which in turn is affected by nutrition, i.e. breast milk or formula. A detailed examination of fecal metabolites was performed to investigate ... ...

Abstract	The early-life metabolome of the intestinal tract is dynamically influenced by colonization of gut microbiota which in turn is affected by nutrition, i.e. breast milk or formula. A detailed examination of fecal metabolites was performed to investigate the effect of probiotics in formula compared to control formula and breast milk within the first months of life in healthy neonates. A broad metabolomics approach was conceptualized to describe fecal polar and semi-polar metabolites affected by feeding type within the first year of life. Fecal metabolomes were clearly distinct between formula- and breastfed infants, mainly originating from diet and microbial metabolism. Unsaturated fatty acids and human milk oligosaccharides were increased in breastfed, whereas Maillard products were found in feces of formula-fed children. Altered microbial metabolism was represented by bile acids and aromatic amino acid metabolites. Elevated levels of sulfated bile acids were detected in stool samples of breastfed infants, whereas secondary bile acids were increased in formula-fed infants. Microbial co-metabolism was supported by significant correlation between chenodeoxycholic or lithocholic acid and members of Clostridia. Fecal metabolites showed strong inter- and intra-individual behavior with features uniquely present in certain infants and at specific time points. Nevertheless, metabolite profiles converged at the end of the first year, coinciding with solid food introduction.
Language	English
Publishing date	2021-05-28
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2814330-9
ISSN	2296-889X
ISSN	2296-889X
DOI	10.3389/fmolb.2021.660456
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Article ; Online: Development and application of a HILIC UHPLC-MS method for polar fecal metabolome profiling.

Sillner, Nina / Walker, Alesia / Harrieder, Eva-Maria / Schmitt-Kopplin, Philippe / Witting, Michael

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

2019 Volume 1109, Page(s) 142–148

Abstract: The fecal metabolome is a complex mixture of endogenous, microbial metabolites, and food derived compounds. Hydrophilic interaction liquid chromatography (HILIC) enables the analysis of polar compounds, which is a valuable alternative to reversed-phase ... ...

Abstract	The fecal metabolome is a complex mixture of endogenous, microbial metabolites, and food derived compounds. Hydrophilic interaction liquid chromatography (HILIC) enables the analysis of polar compounds, which is a valuable alternative to reversed-phase liquid chromatography in the field of metabolomics due to its ability to retain a greater portion of the polar metabolome. The objective of the study was to find the optimal chromatographic solution to perform non-targeted metabolomics of feces by means of HILIC ultra-high-pressure liquid chromatography mass spectrometry (UHPLC-Q-TOF-MS). The performance was systematically investigated analyzing a pooled fecal sample, and mixtures of 150 metabolites from different families, including for example amino acids, amines, indole derivatives, fatty acids and carbohydrates. Three different stationary phases (zwitterionic, amide and unbonded silica) were operated at three pH values (4.6, 6.8 and 9.0), and three salt gradient conditions (5-5, 5-10 and 5-25 mM ammonium acetate). Amide and zwitterionic stationary phases performed similarly at low pH, with highest number of detected standards, which increased by increasing the salt gradient. The amide column showed slightly better performance in terms of separation of isomers and peak widths and remarkably good performance at basic pH, with highest number of metabolite features in the non-targeted analysis. The zwitterionic column operated best in terms of number of detected standards, retention time distribution of standards and metabolite feature across whole chromatographic run. Thus, the zwitterionic column was proven to suit for non-targeted analysis of fecal samples, resulting in good coverage of especially amino acids and carbohydrates.
MeSH term(s)	Chromatography, High Pressure Liquid/methods ; Feces/chemistry ; Humans ; Hydrophobic and Hydrophilic Interactions ; Mass Spectrometry/methods ; Metabolome/physiology ; Metabolomics/methods ; Reproducibility of Results
Language	English
Publishing date	2019-02-04
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1180823-8
ISSN	1873-376X ; 0378-4347 ; 1570-0232 ; 1387-2273
ISSN (online)	1873-376X
ISSN	0378-4347 ; 1570-0232 ; 1387-2273
DOI	10.1016/j.jchromb.2019.01.016
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Article: Milk-Derived Amadori Products in Feces of Formula-Fed Infants

Sillner, Nina / Bazanella, Monika / Haller, Dirk / Heinzmann, Silke S / Hemmler, Daniel / Schmitt-Kopplin, Philippe / Walker, Alesia

Journal of agricultural and food chemistry. 2019 June 17, v. 67, no. 28

2019

Abstract: Food processing of infant formula alters chemical structures, including the formation of Maillard reaction products between proteins and sugars. We detected early Maillard reaction products, so-called Amadori products, in stool samples of formula-fed ... ...

Abstract	Food processing of infant formula alters chemical structures, including the formation of Maillard reaction products between proteins and sugars. We detected early Maillard reaction products, so-called Amadori products, in stool samples of formula-fed infants. In total, four Amadori products (N-deoxylactulosyllysine, N-deoxyfructosyllysine, N-deoxylactulosylleucylisoleucine, N-deoxyfructosylleucylisoleucine) were identified by a combination of complementary nontargeted and targeted metabolomics approaches. Chemical structures were confirmed by preparation and isolation of reference compounds, LC-MS/MS, and NMR. The leucylisoleucine Amadori compounds, which most likely originate from β-lactoglobulin, were excreted throughout the first year of life in feces of formula-fed infants but were absent in feces of breastfed infants. Despite high inter- and intraindividual differences of Amadori products in the infants’ stool, solid food introduction resulted in a continuous decrease, proving infant formula as the major source of the excreted Amadori products.
Keywords	Amadori products ; beta-lactoglobulin ; breast feeding ; chemical structure ; feces ; food processing ; infant formulas ; infants ; liquid chromatography ; mass spectrometry ; metabolomics ; nuclear magnetic resonance spectroscopy ; sugars
Language	English
Dates of publication	2019-0617
Size	p. 8061-8069.
Publishing place	American Chemical Society
Document type	Article
ZDB-ID	241619-0
ISSN	1520-5118 ; 0021-8561
ISSN (online)	1520-5118
ISSN	0021-8561
DOI	10.1021/acs.jafc.9b01889
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Article ; Online: Metformin impacts cecal bile acid profiles in mice.

Sillner, Nina / Walker, Alesia / Koch, Wendelin / Witting, Michael / Schmitt-Kopplin, Philippe

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

2018 Volume 1083, Page(s) 35–43

Abstract: Bile acids (BAs) are major components of bile synthesized from cholesterol and take part in the digestion of dietary lipids, as well as having signaling functions. They undergo extensive microbial metabolism inside the gastrointestinal tract. Here, we ... ...

Abstract	Bile acids (BAs) are major components of bile synthesized from cholesterol and take part in the digestion of dietary lipids, as well as having signaling functions. They undergo extensive microbial metabolism inside the gastrointestinal tract. Here, we present a method of ultra-high pressure liquid chromatography coupled to ion trap mass spectrometry for quantification of 45 BAs in mouse cecum. The system was validated in regard to sensitivity with limits of detection and quantification (0.6-24.9 nM), interday accuracy (102.4%), interday precision (15.2%), recovery rate (74.7%), matrix effect (98.2%) and carry-over effect (<1.1%). Afterwards, we applied our method to investigate the effect of metformin on BA profiles. Diabetic mice were treated with metformin for 1 day or 14 days. One day of treatment resulted in a significant increase of total BA concentration (2.7-fold increase; db/db metformin 5.32 μmol/g, db/db control mice 1.95 μmol/g), most notable in levels of 7-oxodeoxycholic, 3-dehydrocholic and cholic acid. We observed only minor impact on BA metabolism after 14 days of metformin treatment, compared to the single treatment. Furthermore, healthy wild type mice had elevated concentrations of allocholic and ω-muricholic acid compared to diabetic mice. Our method proved the applicability of profiling BAs in cecum to investigate intestinal BA metabolism in diabetes and pharmacological applications.
MeSH term(s)	Animals ; Bile Acids and Salts/analysis ; Bile Acids and Salts/metabolism ; Cecum/drug effects ; Chromatography, High Pressure Liquid/methods ; Diabetes Mellitus, Experimental/metabolism ; Limit of Detection ; Linear Models ; Male ; Mass Spectrometry/methods ; Metformin/pharmacology ; Mice ; Mice, Transgenic ; Reproducibility of Results
Chemical Substances	Bile Acids and Salts ; Metformin (9100L32L2N)
Language	English
Publishing date	2018-04-15
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1180823-8
ISSN	1873-376X ; 0378-4347 ; 1570-0232 ; 1387-2273
ISSN (online)	1873-376X
ISSN	0378-4347 ; 1570-0232 ; 1387-2273
DOI	10.1016/j.jchromb.2018.02.029
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Article ; Online: Milk-Derived Amadori Products in Feces of Formula-Fed Infants.

Sillner, Nina / Walker, Alesia / Hemmler, Daniel / Bazanella, Monika / Heinzmann, Silke S / Haller, Dirk / Schmitt-Kopplin, Philippe

Journal of agricultural and food chemistry

2019 Volume 67, Issue 28, Page(s) 8061–8069

Abstract	Food processing of infant formula alters chemical structures, including the formation of Maillard reaction products between proteins and sugars. We detected early Maillard reaction products, so-called Amadori products, in stool samples of formula-fed infants. In total, four Amadori products (
MeSH term(s)	Bottle Feeding/statistics & numerical data ; Chromatography, Liquid ; Feces/chemistry ; Female ; Food Handling ; Glycation End Products, Advanced/chemistry ; Humans ; Infant ; Infant Formula/adverse effects ; Infant Formula/analysis ; Magnetic Resonance Spectroscopy ; Maillard Reaction ; Male ; Tandem Mass Spectrometry
Chemical Substances	Glycation End Products, Advanced
Language	English
Publishing date	2019-07-02
Publishing country	United States
Document type	Journal Article ; Randomized Controlled Trial
ZDB-ID	241619-0
ISSN	1520-5118 ; 0021-8561
ISSN (online)	1520-5118
ISSN	0021-8561
DOI	10.1021/acs.jafc.9b01889
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Article ; Online: Asthma-protective agents in dust from traditional farm environments.

Marques Dos Santos, Mauricius / Pivniouk, Vadim / Rankl, Bettina / Walker, Alesia / Pagani, Giulia / Hertkorn, Norbert / Schmitt-Kopplin, Philippe / Müller, Christoph / Bracher, Franz / Merl-Pham, Juliane / Hauck, Stefanie M / Schloter, Michael / Michael, Ashley N / Anderson, Dayna / Honeker, Linnea / Gozdz, Justyna / Pivniouk, Oksana / Ober, Carole / Holbreich, Mark /

Martinez, Fernando D / Snyder, Shane A / von Mutius, Erika / Vercelli, Donata

The Journal of allergy and clinical immunology

2023 Volume 152, Issue 3, Page(s) 610–621

Abstract: Background: Growing up on traditional European or US Amish dairy farms in close contact with cows and hay protects children against asthma, and airway administration of extracts from dust collected from cowsheds of those farms prevents allergic asthma ... ...

Abstract	Background: Growing up on traditional European or US Amish dairy farms in close contact with cows and hay protects children against asthma, and airway administration of extracts from dust collected from cowsheds of those farms prevents allergic asthma in mice. Objectives: This study sought to begin identifying farm-derived asthma-protective agents. Methods: Our work unfolded along 2 unbiased and independent but complementary discovery paths. Dust extracts (DEs) from protective and nonprotective farms (European and Amish cowsheds vs European sheep sheds) were analyzed by comparative nuclear magnetic resonance profiling and differential proteomics. Bioactivity-guided size fractionation focused on protective Amish cowshed DEs. Multiple in vitro and in vivo functional assays were used in both paths. Some of the proteins thus identified were characterized by in-solution and in-gel sodium dodecyl sulfate-polyacrylamide gel electrophoresis enzymatic digestion/peptide mapping followed by liquid chromatography/mass spectrometry. The cargo carried by these proteins was analyzed by untargeted liquid chromatography-high-resolution mass spectrometry. Results: Twelve carrier proteins of animal and plant origin, including the bovine lipocalins Bos d 2 and odorant binding protein, were enriched in DEs from protective European cowsheds. A potent asthma-protective fraction of Amish cowshed DEs (≈0.5% of the total carbon content of unfractionated extracts) contained 7 animal and plant proteins, including Bos d 2 and odorant binding protein loaded with fatty acid metabolites from plants, bacteria, and fungi. Conclusions: Animals and plants from traditional farms produce proteins that transport hydrophobic microbial and plant metabolites. When delivered to mucosal surfaces, these agents might regulate airway responses.
MeSH term(s)	Female ; Animals ; Cattle ; Mice ; Sheep ; Farms ; Dust/analysis ; Asthma/prevention & control ; Allergens ; Respiratory System
Chemical Substances	Dust ; Allergens
Language	English
Publishing date	2023-06-02
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Extramural
ZDB-ID	121011-7
ISSN	1097-6825 ; 1085-8725 ; 0091-6749
ISSN (online)	1097-6825 ; 1085-8725
ISSN	0091-6749
DOI	10.1016/j.jaci.2023.05.013
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Article ; Online: Manganese leads to an increase in markers of oxidative stress as well as to a shift in the ratio of Fe(II)/(III) in rat brain tissue.

Fernsebner, Katharina / Zorn, Julia / Kanawati, Basem / Walker, Alesia / Michalke, Bernhard

Metallomics : integrated biometal science

2014 Volume 6, Issue 4, Page(s) 921–931

Abstract: Occupationally or environmentally caused chronic exposure to Manganese (Mn) can lead to a degeneration of dopaminergic neurons inducing a Parkinson-like complaint called manganism. Deciphering the ongoing neurodegenerative mechanisms in the affected ... ...

Abstract	Occupationally or environmentally caused chronic exposure to Manganese (Mn) can lead to a degeneration of dopaminergic neurons inducing a Parkinson-like complaint called manganism. Deciphering the ongoing neurodegenerative mechanisms in the affected brain is still a major task for understanding the complex modes of action. Therefore, we applied a non-toxic, oral feeding in rats simulating a chronic exposure to Mn. Analysis of brain extracts by electrospray ionization Fourier transform resonance mass spectrometry (ESI-FT-ICR-MS) revealed an increase in markers of oxidative stress like glutathione disulfide (GSSG), prostaglandins, and 15(S)-HETE, a marker of lipid peroxidation. Furthermore, acetylcholinesterase (AchE) activity and glutamate concentrations were elevated in brain samples of Mn-supplemented rats, suggesting oxidative stress in the brain tissue. Application of ion chromatography coupled to inductively coupled plasma-optical emission spectrometry (IC-ICP-OES) further showed a shift of Fe(III) towards Fe(II) in the brain samples enabling for example the action of the Fenton reaction. This is the first time that changes in the Fe-species distribution could be related to Mn-induced neuroinflammation and is therefore enlarging the knowledge of this complex neurodegenerative condition. The combination of our findings provides substantial evidence that Mn-induced neuroinflammation leads to oxidative stress triggered by multifactorial pathophysiological processes.
MeSH term(s)	Animals ; Brain/metabolism ; Brain Chemistry ; Eating ; Ferric Compounds/analysis ; Ferric Compounds/metabolism ; Ferrous Compounds/analysis ; Ferrous Compounds/metabolism ; Glutamic Acid/analysis ; Glutamic Acid/metabolism ; Male ; Manganese/metabolism ; Manganese/toxicity ; Oxidative Stress ; Rats ; Rats, Sprague-Dawley
Chemical Substances	Ferric Compounds ; Ferrous Compounds ; Glutamic Acid (3KX376GY7L) ; Manganese (42Z2K6ZL8P)
Language	English
Publishing date	2014-04
Publishing country	England
Document type	Journal Article
ZDB-ID	2474317-3
ISSN	1756-591X ; 1756-5901
ISSN (online)	1756-591X
ISSN	1756-5901
DOI	10.1039/c4mt00022f
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