Reactions between sugars and amino acids in the Maillard reaction produce a multitude of compounds through interconnected chemical pathways. The course pathways changes depending on nature as well processing conditions (e.g. temperature, water activity). Some partial have been elucidated using labelled precursors but process is very time intensive. Here, we use rapid, non-targeted analysis with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) to deliver molecular...

In this study, we monitored the thermal formation of early ribose-glycine Maillard reaction products over time by ion cyclotron resonance mass spectrometry. Here, considered sugar decomposition (caramelization) apart from compounds that could only be produced in presence amino acid. More than 300 intermediates as a result two initial reactants were found after ten hours (100 °C) to participate interplay cascade. Despite large numerical variety majority follow simple and repetitive patterns....

Abstract As a complex microbial ecosystem, wine is particularly interesting model for studying interactions between microorganisms as fermentation can be done by consortia, unique strain or mixed culture. The effect of specific yeast on its environments and characterized metabolites their concentration. With great resolution excellent mass accuracy, ultrahigh spectrometry (uHRMS) the perfect tool to analyze metabolome at end alcoholic fermentation. This work reports change in chemical...

Whisky can be described as a complex matrix integrating the chemical history from fermented cereals, wooden barrels, specific distillery processes, aging, and environmental factors. In this study, using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) liquid chromatography coupled with tandem (LC-MS/MS), we analyzed 150 whisky samples 49 different distilleries, 7 countries, ranging 1 day new make spirit to 43 years of maturation types barrel. Chemometrics revealed...

We present concepts of complexity, and complex chemistry in systems subjected to biotic abiotic transformations, introduce analytical possibilities disentangle chemical complexity into its elementary parts as a global integrated approach termed <italic>systems analytics</italic>.

The nonenzymatic reaction between amino acids (AAs) and reducing sugars, also known as the Maillard reaction, is primary source of free glycation products (GPs) in vivo vitro. limited number MS/MS records for GPs public libraries hinders annotation investigation glycation. To address this issue, we present a mass spectral library containing experimental spectra diverse from model systems. Based on conceptional processes structural characteristics products, classified into common (CGPs)...

Article1 August 2019Open Access Source DataTransparent process Rebuilding core abscisic acid signaling pathways of Arabidopsis in yeast Moritz Ruschhaupt orcid.org/0000-0003-3011-0705 Chair Botany, TUM School Life Sciences Weihenstephan, Technical University Munich, Freising, Germany Search for more papers by this author Julia Mergner Proteomics and Bioanalytics, Stefanie Mucha orcid.org/0000-0002-6382-7035 Michael Papacek Isabel Doch V Tischer Daniel Hemmler orcid.org/0000-0003-2540-0054...

Mass spectrometry is a popular and powerful analytical tool to study the effects of food processing. Industrial sampling, real-life or challenging academic research on process-related volatile aerosol often demand flexible, time-sensitive data acquisition by state-of-the-art mass analyzers. Here, we show laboratory-scaled, miniaturized, highly controllable setup for online monitoring aerosols volatiles from thermal processing based dielectric barrier discharge ionization (DBDI) (MS). We...

In metabolomics, nuclear magnetic resonance (NMR) spectroscopy allows to identify and quantify compounds in biological samples. The sample preparation generally requires only few steps; however, an indispensable factor is the addition of a locking substance into biofluid sample, such as deuterium oxide (D2O). While creatinine loss pure D2O well-described, effects different concentrations on signal profile samples are unknown. this work, we investigated effect levels NMR buffer system urine...

Food processing of infant formula alters chemical structures, including the formation Maillard reaction products between proteins and sugars. We detected early products, so-called Amadori in stool samples formula-fed infants. In total, four (N-deoxylactulosyllysine, N-deoxyfructosyllysine, N-deoxylactulosylleucylisoleucine, N-deoxyfructosylleucylisoleucine) were identified by a combination complementary nontargeted targeted metabolomics approaches. Chemical structures confirmed preparation...

The photochemical transformation of Maillard reaction products (MRPs) under simulated sunlight into mostly unexplored photoproducts is reported herein. Non-enzymatic glycation amino acids leads to a heterogeneous class intermediates with extreme chemical diversity, which particular relevance in processed and stored food as well diabetic age-related protein damage. Here, three (lysine, arginine, histidine) were reacted ribose at 100 °C water for ten hours. Exposing these model systems led...

Comprehensive non-targeted analysis of food products normally requires two complementary chromatographic runs to achieve maximum compound coverage. In this study, we present a sensitive tandem-LC method, which combines RP and HILIC separation in single run. The setup consists C18 trap column subsequently coupled analytical columns (HILIC C18) are operated parallel. First, hydrophobic compounds retained on the while rather hydrophilic directly transferred onto phase. Next, pre-fractionated...

Glycation products produced by the non-enzymatic reaction between reducing carbohydrates and amino compounds have received increasing attention in both food- health-related research. Although liquid chromatography mass spectrometry (LC-MS) methods for analyzing glycation already exist, only a few common advanced end (AGEs) are usually covered quantitative methods. Untargeted comprehensively still lacking. The aim of this study was to establish method simultaneously characterizing wide range...

Histone deacetylation catalyzed by histone deacetylase plays a critical role in gene silencing and subsequently controls many important biological processes. It was reported that the expression of plant-specific subfamily HD2s is repressed ABA Arabidopsis. However, little known about molecular relationship between HD2A/HD2B during vegetative phase. Here, we describe hd2ahd2b mutant shows hypersensitivity to exogenous germination post-germination period. Additionally, transcriptome analyses...

Identification of chemically modified peptides in mass spectrometry (MS)-based glycation studies is a crucial yet challenging task. There need to establish mode for matching tandem (MS/MS) data, allowing both known and unknown peptide modifications. We present an open search approach that uses classic fragment ions. The latter are shifted by the delta modification. Both provide key structural information can be used assess core structure product. also leverage redundant neutral losses from...

Peptide glycation is an important, yet poorly understood reaction not only found in food but also biological systems. The enormous heterogeneity of peptides and the complexity reactions impeded large-scale analysis peptide derived products to understand both contributing factors how this affects activity peptides. Analyzing time-resolved Amadori product formation, we here explored site-specific for 264 Intensity profiling together with in-depth computational sequence deconvolution resolved...

Abstract Motivation Plasma ionization is rapidly gaining popularity for mass spectrometry (MS)-based studies of volatiles and aerosols. However, data from plasma are delicate to interpret as competing pathways in the create numerous ion species. There no tool detection adducts in-source fragments yet, which makes evaluation ambiguous. Summary We developed DBDIpy, a Python library processing formal analysis untargeted, time-sensitive MS datasets. Its core functionality lies identification...