Development of a QSAR model to predict protein-flavor binding in protein-rich food systems.

Protein-flavor binding is a common challenge in food formulation. Prediction models provide a time-, resource-, and cost-efficient way to investigate how the structural and physicochemical properties of flavor compounds affect this binding mechanism. This study presents a Quantitative Structure-Activity Relationship model derived from five commercial plant-based proteins and thirty-three flavor compounds.

Macro- and microplastics leachates: Characterization and impact on seed germination.

Although plastic mulch enhances crop yield, its removal and disposal present significant challenges, contributing to macro- and microplastic pollution in agricultural soils. The adverse effects of this pollution on soil and plant health are not fully understood but may stem from the plastic particles or the toxicity of leached chemical additives. This study assessed the impact of macro- and microplastics from nondegradable LDPE-based (LDPEb) and biodegradable PBAT-based (PBATb) mulch films, along with their leachates, on the germination of three plant species.

Identifying Variables Influencing Traditional Food Solid-State Fermentation by Statistical Modeling.

Solid-state fermentation is widely used in traditional food production, but most of the complex processes involved were designed and are carried out without a scientific basis. Often, mathematical models can be established to describe mass and heat transfer with the assistance of chemical engineering tools. However, due to the complex nature of solid-state fermentation, mathematical models alone cannot explain the many dynamic changes that occur during these processes.

Selective ionization of oxidized lipid species using different solvent additives in flow injection mass spectrometry.

Lipid oxidation in food products is a crucial problem that causes undesirable changes in the food's flavor, texture, and nutritional value. It should be carefully monitored as it can lead to the formation of potentially toxic compounds and in that way reduce the shelf life of the product. Liquid chromatography coupled to mass spectrometry is a powerful tool to monitor the formation of oxidized lipids.

Quantifying techno-functional properties of ingredients from multiple crops using machine learning.

Food ingredients with a low degree of refining consist of multiple components. Therefore, it is essential to formulate food products based on techno-functional properties rather than composition. We assessed the potential of quantifying techno-functional properties of ingredient blends from multiple crops as opposed to single crops.

Improved LC-MS identification of short homologous peptides using sequence-specific retention time predictors.

Peptides are an important group of compounds contributing to the desired, as well as the undesired taste of a food product. Their taste impressions can include aspects of sweetness, bitterness, savoury, umami and many other impressions depending on the amino acids present as well as their sequence. Identification of short peptides in foods is challenging.

Identification of plant polysaccharides by MALDI-TOF MS fingerprinting after periodate oxidation and thermal hydrolysis.

An autoclave treatment at 121 °C on periodate-oxidized plant polysaccharides and mixes thereof was investigated for the release of oligosaccharides to obtain a generic polysaccharide depolymerization method for polysaccharides fingerprinting. Matrix-Assisted Laser Desorption Ionization Time-Of-Flight Mass Spectrometry (MALDI-TOF MS) analysis of the oligosaccharides released showed that each polysaccharide had a unique oligosaccharides profile, even the same type of polysaccharide derived from different sources and/or having different fine structures (e.g.

Special Issue: Development and Application of Statistical Methods for Analyzing Metabolomics Data.

In the last decade, the field of metabolomics has developed tremendously: it is now possible to routinely measure a wide range of metabolites for many specimens at reduced costs, opening the door to many exciting experiments [...

Insights into the molecular properties underlying antibacterial activity of prenylated (iso)flavonoids against MRSA.

High resistance towards traditional antibiotics has urged the development of new, natural therapeutics against methicillin-resistant Staphylococcus aureus (MRSA). Prenylated (iso)flavonoids, present mainly in the Fabaceae, can serve as promising candidates. Herein, the anti-MRSA properties of 23 prenylated (iso)flavonoids were assessed in-vitro.

Impact of Xylanase and Glucanase on Oligosaccharide Formation, Carbohydrate Fermentation Patterns, and Nutrient Utilization in the Gastrointestinal Tract of Broilers.

This study aimed at determining how the degradation of cereal non-starch polysaccharides (NSP) by dietary enzymes during feed digestion can influence nutrient digestibility and NSP fermentability in broilers. Ninety-six one-day-old male broilers were assigned to 4 different treatments: control and enzyme-supplemented wheat-based (WC, WE) or maize-based (MC, ME) treatments. Enzyme supplementation with endo-xylanase and endo-glucanase occurred from day 20 onwards.

LC-MS based plant metabolic profiles of thirteen grassland species grown in diverse neighbourhoods.

In plants, secondary metabolite profiles provide a unique opportunity to explore seasonal variation and responses to the environment. These include both abiotic and biotic factors. In field experiments, such stress factors occur in combination.

Revealing the main factors and two-way interactions contributing to food discolouration caused by iron-catechol complexation.

Fortification of food with iron is considered to be an effective approach to counter the global health problem caused by iron deficiency. However, reactivity of iron with the catechol moiety of food phenolics leads to discolouration and impairs bioavailability. In this study, we investigated the interplay between intrinsic and extrinsic factors on food discolouration caused by iron-catechol complexation.

Reciprocal cybrids reveal how organellar genomes affect plant phenotypes.

Assessment of the impact of variation in chloroplast and mitochondrial DNA (collectively termed the plasmotype) on plant phenotypes is challenging due to the difficulty in separating their effect from nuclear-derived variation (the nucleotype). Haploid-inducer lines can be used as efficient plasmotype donors to generate new plasmotype-nucleotype combinations (cybrids). We generated a panel comprising all possible cybrids of seven Arabidopsis thaliana accessions and extensively phenotyped these lines for 1,859 phenotypes under both stable and fluctuating conditions.

Application of Volatile Organic Compound Analysis in a Nutritional Intervention Study: Differential Responses during Five Hours Following Consumption of a High- and a Low-Fat Dairy Drink.

Scope: Exhaled volatile organic compounds (VOCs) are a possible relevant target for noninvasive assessment of metabolic responses. Using a breathomics approach, it is aimed to explore whether lipid intake influences VOC profiles in exhaled air, and to obtain insight in intra- and interindividual variations.

Methods And Results: Three human interventions are performed.

Biomarkers for grain yield stability in rice under drought stress.

Crop yield stability requires an attenuation of the reduction of yield losses caused by environmental stresses such as drought. Using a combination of metabolomics and high-throughput colorimetric assays, we analysed central metabolism and oxidative stress status in the flag leaf of 292 indica rice (Oryza sativa) accessions. Plants were grown in the field and were, at the reproductive stage, exposed to either well-watered or drought conditions to identify the metabolic processes associated with drought-induced grain yield loss.

Variability of Serum Proteins in Chinese and Dutch Human Milk during Lactation.

To better understand the variability of the type and level of serum proteins in human milk, the milk serum proteome of Chinese mothers during lactation was investigated using proteomic techniques and compared to the milk serum proteome of Dutch mothers. This showed that total milk serum protein concentrations in Chinese human milk decreased over a 20-week lactation period, although with variation between mothers in the rate of decrease. Variation was also found in the composition of serum proteins in both colostrum and mature milk, although immune-active proteins, enzymes, and transport proteins were the most abundant for all mothers.

QSAR of 1,4-benzoxazin-3-one antimicrobials and their drug design perspectives.

Synthetic derivatives of 1,4-benzoxazin-3-ones have been shown to possess promising antimicrobial activity, whereas their natural counterparts were found lacking in this respect. In this work, quantitative structure-activity relationships (QSAR) of natural and synthetic 1,4-benzoxazin-3-ones as antimicrobials were established. Data published in literature were curated into an extensive dataset of 111 compounds.

Transcriptome Analysis of CHO Cell Size Increase During a Fed-Batch Process.

In a Chinese Hamster Ovary (CHO) cell fed-batch process, arrest of cell proliferation and an almost threefold increase in cell size occurred, which is associated with an increase in cell-specific productivity. In this study, transcriptome analysis is performed to identify the molecular mechanisms associated with this. Cell cycle analysis reveals that the cells are arrested mainly in the G /G phase.

QSAR-based molecular signatures of prenylated (iso)flavonoids underlying antimicrobial potency against and membrane-disruption in Gram positive and Gram negative bacteria.

Prenylated flavonoids and isoflavonoids are phytochemicals with remarkable antibacterial activity. In this study, 30 prenylated (iso)flavonoids were tested against Listeria monocytogenes and Escherichia coli (the latter in combination with an efflux pump inhibitor). Minimum inhibitory concentrations of the most active compounds ranged between 6.

Transcriptome analysis for the scale-down of a CHO cell fed-batch process.

Transcriptome and metabolism analysis were performed to evaluate the scale-down of a CHO cell fed-batch process from a 10 L bioreactor to an ambr 15 (ambr) system. Two different agitation scale-down principles were applied, resulting in two different agitation rates in the ambr system: 1300 RPM based on the agitator tip speed, and 800 rpm based on the volumetric power input (P/V). Culture performance including cell growth, product titer, glycosylation, and specific consumption/production rates of metabolites was the same for both agitation rates in the ambr and was comparable to that of the 10 L system.

A Multidisciplinary Phenotyping and Genotyping Analysis of a Mapping Population Enables Quality to Be Combined with Yield in Rice.

In this study a mapping population (F) of ca 200 progeny from a cross between the commercial rice varieties Apo and IR64 has been both genotyped and phenotyped. A genotyping-by-sequencing approach was first used to identify 2,681 polymorphic SNP markers which gave dense coverage of the genome with a good distribution across all 12 chromosomes. The coefficient of parentage was also low, at 0.

Improved batch correction in untargeted MS-based metabolomics.

Introduction: Batch effects in large untargeted metabolomics experiments are almost unavoidable, especially when sensitive detection techniques like mass spectrometry (MS) are employed. In order to obtain peak intensities that are comparable across all batches, corrections need to be performed. Since non-detects, i.

Changes over lactation in breast milk serum proteins involved in the maturation of immune and digestive system of the infant.

Here we provide data from shot-gun proteomics, using filtered-aided sample preparation (FASP), dimethyl labeling and LC-MS/MS, to quantify the changes in the repertoire of human milk proteins over lactation. Milk serum proteins were analyzed at week 1, 2, 3 4, 8, 16, and 24 in milk from four individual mothers. A total of 247 proteins were identified, of which 200 proteins were quantified.

Changes over lactation in breast milk serum proteins involved in the maturation of immune and digestive system of the infant.

Unlabelled: To objective of this study was to better understand the biological functions of breast milk proteins in relation to the growth and development of infants over the first six months of life. Breast milk samples from four individual women collected at seven time points in the first six months after delivery were analyzed by filter aided sample preparation and dimethyl labeling combined with liquid chromatography tandem mass spectrometry. A total of 247 and 200 milk serum proteins were identified and quantified, respectively.