Browsing by Subject "Metabolite profiling"

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Chemometric approach for profiling of metabolites of potential antioxidant activity in Apiaceae species based on LC-PDA-ESI-MS/MS and FT-NIR
(2023) Atta, Noha H.; Handoussa, Heba; Klaiber, Iris; Hitzmann, Bernd; Hanafi, Rasha S.
Chemometrics is a tool for data mining and unlocking the door for solving big data queries. Apiaceae is a family species which is commonly cultivated worldwide. Although members of this species are widely used as antioxidant, antibacterial, antifungal, and anti-inflammatory agents, their metabolites profiling remains ambiguous. Based on WHO support, chemometrics has been used in evaluating the quality and authenticity of the herbal products. The objective of this study is to profile and characterize phenolic metabolites in nine species from Egyptian cultivars and three different species of German cultivars from the Apiaceae family using multivariate analysis after LC-PDA-ESI-MS/MS and near infrared spectroscopy data are generated. Principal component analysis was successfully applied to distinguish between the nine Egyptian cultivars and the three German cultivars, and hierarchical cluster analysis also confirmed this distinctive clustering. Partial least square regression (PLS-R) models showed a relationship between phytochemicals and antioxidant activities. The metabolites responsible for the clustering pattern and variables important for projection (VIP) were identified, being twelve amongst nine Egyptian cultivar samples and thirteen amongst the Egyptian cultivar and the German cultivar comparison. The identified VIPs were also correlated with the antioxidant activity using PLS-R. In conclusion, the study showed novelty in the application of hyphenated analytical techniques and chemometrics that assist in quality control of herbal medicine.
Metabolic adaptation to energetic demands of early lactation in Holstein Friesian and Simmental cows
(2025) Ruda, Lena; Straub, C.; Scholz, A.M.; Huber, Korinna
Holstein Friesian (HF) is the highest-performing dairy breed worldwide. However, this breed is prone to suffer from health disorders and infertility due to metabolic instability. The aim of the study was to use the metabolic differences between to breed, German HF and German Simmental (SI), for discussion of the biological impact of well-known and novel pathways and their respective indicators. Therefore, a targeted metabolomics approach combined with an examination of classical clinical chemistry using plasma samples was used to describe the metabolic status 42 days before expected calving and at day 21 of lactation. In total, 27 multiparous cows (HF n = 17, SI n = 10) were enrolled in the study. All cows were kept on the same farm under identical management, feeding and housing conditions. BW of HF cows dropped while SI cows maintained their BW but produced less milk than HF cows during the first weeks of lactation. Differences were detected for the following indicators and related pathways, and were used to assess their biological impact. Branched-chain amino acids such as leucine and isoleucine at day +21 remained as high as at day −42 in HF cows; however, in SI cows, a clear drop in these amino acids was observed indicating less body protein mobilisation in this breed. Alpha amino-adipic acid and kynurenine as markers for oxidative stress balance were increased at day +21 in HF cows, only reflecting a metabolically more tensed condition in HF cows. As a conclusion, these findings confirm the impact of these metabolites on a higher risk to suffer from metabolic disorders.