Tobias von Oesen, Prof. Dr. Sascha Rohn, Prof. Dr. Jan Fritsche
{"title":"Entwicklung flüssigchromatographischer Analyseverfahren zur Quantifizierung des Molkenproteingehalts in Schnittkäse sowie physikochemische und sensorische Charakterisierung der Qualität von Molkenprotein-angereichertem Schnittkäse","authors":"Tobias von Oesen, Prof. Dr. Sascha Rohn, Prof. Dr. Jan Fritsche","doi":"10.1002/lemi.202552230","DOIUrl":"https://doi.org/10.1002/lemi.202552230","url":null,"abstract":"<p>Bei der Produktion von Käse fließen die Molkenproteine weitestgehend mit der Molke ab. Molkenproteine besitzen jedoch eine hohe biologische Wertigkeit, sodass sie zur Nährwertsteigerung eines Produkts beitragen können. Darüber hinaus können Molkenproteine Lebensmitteln nützliche technofunktionelle Eigenschaften verleihen. Die Anwendung molkereitechnologischer Verfahren zur Implementierung von Molkenproteinen in die Käsematrix (Molkenprotein-angereicherte Käse) steigert die Prozesseffizienz, wirkt sich zugleich jedoch auf die kompositionelle Qualität der Käse aus. Aus Sicht der amtlichen Lebensmittelüberwachungsbehörden in Deutschland ist es daher zum Schutz der Verbraucherinnen und Verbraucher vor etwaiger Täuschung durch falsche Kennzeichnung notwendig, über eine validierte Analysemethode zur Quantifizierung des Molkenproteingehalts in gereiftem Käse zu verfügen.</p><p>Das Ziel dieser Arbeiten war die Entwicklung einer direkten chromatographischen Analysemethode zur Bestimmung des Molkenproteingehalts in Käse. Hierbei wurden Extraktions- sowie Solvatisierungsverfahren entwickelt die sowohl die Bestimmung des säurelöslichen („nativen“) Molkenproteingehalts als auch die Bestimmung des Gesamtmolkenproteingehalts unter solvatisierenden Analysebedingungen ermöglichten.</p>","PeriodicalId":17952,"journal":{"name":"Lebensmittelchemie","volume":"79 S2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Marcel Hensel, Prof. Dr. Dominik Durner, Prof. Dr. Jörg Fahrer
{"title":"Photometric wine color measurement","authors":"Marcel Hensel, Prof. Dr. Dominik Durner, Prof. Dr. Jörg Fahrer","doi":"10.1002/lemi.202552237","DOIUrl":"https://doi.org/10.1002/lemi.202552237","url":null,"abstract":"<p>The color of wine is an important quality parameter essential for the first impression of consumers. The Organisation inernationale de la Vigne et du Vin (OIV) recommends two methods to describe wine color: color calculation according to Glories and the determination of coordinates in the L* a* b* color space of the Commission Internationale de l'Eclairage (CIE). In this work, the influence of photometer settings on the calculation of the CIE L*a*b* color space were determined. It was shown that the photometer settings influence the reproducibility of the measurement. Furthermore, the color measurement according to Glories is compared to the CIE L*a*b* color space. The results show a weak correlation in the light red wine and white wine color area. Therefore, Glories' color measurement and the CIE L*a*b* color cannot be used interchangeably. To determine, which of the methods is more suited for further investigation, the color measurement according to Glories and the CIE L*a*b* color space were compared to the visual perception of 112 red and white wines. The results indicate that the CIE L*a*b color space is better suited to depicting the color perceived by humans. Since its development, the CIE color spaces have undergone various changes. The possibility of comparing colors has been no exception. The Euclidean color difference is the formula currently recommended by the OIV to compare wine colors. However, the CIE recommends the CIEDE2000 color distance formula, which has been proven to be more precise. The reason why the Euclidean color difference is still used in wine research is the absence of reference values calculated with the CIEDE2000 color distance formula for the just noticeable difference (JND), or the visual color threshold, the minimum difference in color hue that is visible by the human eye. Therefore, the JND was re-evaluated with the CIEDE2000 color distance formula via triangle testing. Compared to Glories' color measurement, CIE L*a*b* more closely match the human perception, elevating the use of CIE L*a*b* over the use of the Glories method. Visual color thresholds were better expressed with CIEDE2000 but still varied depending upon the color area in the CIE L*a*b* color space. The results of these studies indicate that the CIE L*a*b* color space is better suited for further investigation. Machine learning (ML) and statistical modeling have emerged as important innovations in science. In wine research, ML is often used to predict abstract parameters such as wine quality based on complex instrumental chemical analysis. The presented study used spectrophotometric data and CIE L*a*b* coordinates from 176 commercial wines to distinguish Blanc de noir from rosé wine and white wine. The transmission spectra were used to train extreme gradient-boosted trees (XGBoost) and a support vector machine (SVM). CIE L*a*b* coordinates were used to train SVM and logistic regression. After parameter hypertuning, the combination of SVM on CIE","PeriodicalId":17952,"journal":{"name":"Lebensmittelchemie","volume":"79 S2","pages":"S2-082-S2-083"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Y Lan Pham, Prof. Dr. Andrea Büttner, Prof. Christopher Mayhew PhD, Prof. Dr. Monika Pischetsrieder
{"title":"Volatile emissions in human health applications: sampling and standardisation endeavours in relation to exogenous compounds in inhaled and exhaled breath","authors":"Y Lan Pham, Prof. Dr. Andrea Büttner, Prof. Christopher Mayhew PhD, Prof. Dr. Monika Pischetsrieder","doi":"10.1002/lemi.202552215","DOIUrl":"https://doi.org/10.1002/lemi.202552215","url":null,"abstract":"<p>The early diagnosis of health issues at disease onset is of particular importance to ensure an effective and timely patient treatment and improve the resulting outcome success. The discovery and exploitation of biomarkers that act as indicators of deleterious pathophysiological processes, medication efficacy or exposures to environmental stressors not only provides an opportunity for diagnosis and treatment monitoring, but also for prediction and prevention of adverse health outcomes. Exhaled breath represents a biofluid that is of potential use for biomarker exploitation via its rich mixture of volatile organic compounds (VOCs). The premise of breath-based diagnostics is to utilise representative VOC constituents or their patterns in the exhaled breath of an individual as indicators of physiological imbalances. A handful of volatile breath biomarkers are already utilised in practical and/or clinical applications, demonstrating the potential of this approach, yet there are a number of obstacles that limit the development and routine adoption of breath tests. These include disparate sampling and analytical methodologies, as well as poor reproducibility of independent study outcomes. The main objective of the present research was to address current limitations and uncertainties in breath sampling and analysis by developing novel techniques to sample and analyse volatiles in breath and from sampling interface materials, as well as to assess standardisation procedures by comparing common analytical techniques in widespread use in the field of breath research. In the first part of this work, a novel breath sampling interface was designed as a compatible alternative to the conventional silicon mask used in a commercial breath sampling system. The new interface was designed to overcome specific shortcomings of the mask and consisted of a 3D-printed adapter mouthpiece and a pulmonary function filter. This interface represents a costeffective, reusable and sustainable solution for breath sampling. The suitability of this interface for use in breath sampling applications was assessed in terms of volatiles emitted from the material in relation to biocompatibility (inhalation toxicology) and potential biomarker confounders, as well as the degree of adsorption of potential biomarkers by the adapter materials. These assessments were made in comparison with the conventional mask. Volatile emissions from the different materials were determined after (hydro)thermal treatment, whereby a reduction of total VOC emissions in the adapter (by 99%) and in the filter (by 89%) compared to the mask (62%) could be achieved. In terms of compound uptake, the degree of losses by adsorption to the wetted surfaces of the interfaces was found to be compound-dependent, with negligible uptake of some compounds but marked losses of others across all materials. Generally, uptake levels were lowest for the adapter and most pronounced in the mask. The need to characterise volatile e","PeriodicalId":17952,"journal":{"name":"Lebensmittelchemie","volume":"79 S2","pages":"S2-032-S2-033"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Benedikt Slavik, Prof. Dr. Andrea Büttner, Prof. Dr. Mirjana Minceva
{"title":"Sesquiterpenes and sesquiterpenoid derivatives in food aromas: Physiological derivates and structure-activity relationships in the modulation of GABAA and glycine receptors)","authors":"Benedikt Slavik, Prof. Dr. Andrea Büttner, Prof. Dr. Mirjana Minceva","doi":"10.1002/lemi.202552216","DOIUrl":"https://doi.org/10.1002/lemi.202552216","url":null,"abstract":"<p>Sesquiterpenes and sesquiterpenoids (SQTs) are a frequently occurring natural substance class with diverse chemical structures and represent an important compound class in many essential oils. Only a few of these substances could be synthesized or isolated so far, so that biochemical and physiological studies of individual components are rare. Synergistic effects based on the interaction of two or more molecules are even less studied. Since SQTs are also components of foods, it is important to obtain knowledge about their metabolization. Furthermore, these substances may modulate the GABAA receptor, which is the most important inhibitory receptor in the central nervous system. This receptor mediates the calming, anxietyrelieving or sedative properties of some natural substance mixtures and extracts.</p>","PeriodicalId":17952,"journal":{"name":"Lebensmittelchemie","volume":"79 S2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Novel Pharmacological Approaches to Target Mitochondrial Metabolism and DNA Damage Response in Colorectal Cancer and their Synergism with Established Chemotherapeutics","authors":"Philipp Demuth, Prof. Dr. Jörg Fahrer","doi":"10.1002/lemi.202552236","DOIUrl":"https://doi.org/10.1002/lemi.202552236","url":null,"abstract":"<p>Colorectal cancer (CRC) is one of the most frequently diagnosed malignant diseases worldwide and occurs at an alarmingly increasing rate especially in young adults. Ongoing progress in the field of cancer pharmacology has provided new treatment options in recent years, particularly in the form of immunotherapy. Yet, standard chemotherapy has been based on cytostatic agent 5-fluorouracil (5-FU) for over five decades with the more recent addition of leucovorin (LV), oxaliplatin (OXA) and irinotecan (IT). Established chemotherapeutic approaches mainly rely on the induction of DNA damage, which particularly affects rapidly growing cancer cells. The altered tumor metabolism and the DNA repair machinery have more recently been identified as potential drug targets in CRC. The assessment of novel anticancer drugs for CRC with a focus on induction of DNA damage, inhibition of DNA repair and disruption of mitochondrial metabolism as potential mechanisms constituted the objective of this work. For this purpose, this PhD thesis aimed to evaluate the applicability of antitumor agents which are already clinically used in the treatment of other cancer entities, including the metabolic inhibitor devimistat and the poly (ADP-ribose)-polymerase inhibitors (PARPi) olaparib and veliparib. In addition, the biological activity of novel chemical compounds for CRC treatment was analyzed. The investigated substances were either derived from natural sources (merosesquiterpenes isolated from marine sponges) or chemically synthesized as potential PARPi. CRC cell lines with varying mutational status were applied as surrogates representing the diversity of this disease and experiments with transient genetic knockdown or isogenic knockout cell lines were performed to further detail the pharmacological mode of action of the tested compounds. In addition, murine intestinal tumor organoids and primary organoids as well as patient-derived short-term cultures were used to elucidate the tumor cell specificity of the observed effects. An array of methods was utilized to investigate the underlying cell death mechanisms, including flow cytometry, confocal microscopy, western blot and gene expression analysis. The cytotoxicity of the mitochondrial disruptor devimistat and of PARPi in combination with established CRC chemotherapeutic 5-FU, OXA and IT was analyzed in CRC cell lines to identify a potential synergy. Finally, devimistat was applied either as monotreatment or in combination with IT in a murine xenograft model to evaluate the therapeutic efficacy in vivo. At first, the tumor cell specific cytotoxicity of the metabolic inhibition by devimistat was revealed, independent of genetic and epigenetic alterations in CRC cell lines and murine tumor organoids. A reduced oxygen consumption rate (OCR), attenuated mitochondrial activity and induction of reactive oxygen species (ROS) were identified as underlying mechanisms, resulting in p53-independent induction of CRC cell death. Syner","PeriodicalId":17952,"journal":{"name":"Lebensmittelchemie","volume":"79 S2","pages":"S2-080-S2-081"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Katja Kaltenbach, Prof. Dr. Mirko Bunzel, Prof. Dr. Thomas Kuballa
{"title":"Metabolitenbasierte Differenzierung von frischem und aufgetautem Fisch unter Anwendung von NMR-Spektroskopie und multivariater Datenauswertung","authors":"Katja Kaltenbach, Prof. Dr. Mirko Bunzel, Prof. Dr. Thomas Kuballa","doi":"10.1002/lemi.202552241","DOIUrl":"https://doi.org/10.1002/lemi.202552241","url":null,"abstract":"<p>Lebensmittelbetrug (engl. <i>food fraud</i>) ist spätestens durch die Aufdeckung des Pferdefleischskandals im Jahr 2013 ins Bewusstsein der Öffentlichkeit, der Gesetzgebung und der Justiz gerückt. Lebensmittelbetrug bedeutet, dass die tatsächlichen Eigenschaften eines Lebensmittels absichtlich verschleiert und/oder nichtzutreffende Eigenschaften ausgelobt werden mit dem Ziel, eine höhere Gewinnmarge zu erwirtschaften. Dies stellt eine Herausforderung an die Qualitätskontrolle und die Lebensmittelüberwachung dar, denn die Nichtübereinstimmung eines Lebensmittels mit seiner Kennzeichnung kann bei gefälschten Begleitdokumenten nur durch eine analytische Untersuchung nachgewiesen werden. Fisch trägt auf Grundlage bekannter Betrugsfälle in der EU ein statistisch gesehen erhöhtes Risiko verfälscht zu sein. Eine mögliche Verfälschungsart für Fisch ist das Inverkehrbringen von aufgetautem Fisch als frischen Fisch. In der Literatur gibt es zu dieser Fragestellung einige erste Methodenansätze, allerdings fehlen meist noch vollumfängliche Untersuchungen zur Etablierung einer zuverlässigen Methode in der Routineanalytik von Untersuchungslaboren.</p><p>Ziel der Arbeit war der Aufbau und die weiterführende Überprüfung von nichtzielgerichteten Klassifikationsmodellen zur Vorhersage von frischem und aufgetautem Fisch basierend auf den Daten von Kernspinresonanz (engl. <i>nuclear magnetic resonance</i>, NMR)-spektroskopischen Messungen von Fischfleischextrakten. Sowohl die Probenvorbereitung als auch die NMR-Methodik wurden entwickelt bzw. optimiert, um die lipophilen und hydrophilen Metaboliten aus dem Fischfleisch jeweils bestmöglich abbilden zu können. Für den Aufbau der Klassifikationsmodelle wurden drei repräsentative Fischarten (Atlantischer Kabeljau, Regenbogenforelle, Makrele) ausgewählt, und als frische Ware bzw. nach dem Einfrieren und Auftauen analysiert. Für den Modellaufbau wurde ein Hybridverfahren basierend auf einer Hauptkomponentenanalyse (engl. <i>principal component analysis</i>, PCA) und einer linearen Diskriminanzanalyse (engl. <i>linear discriminant analysis</i>, LDA) genutzt. Nach der Analyse von insgesamt 317 Fischproben (152 frisch, 165 aufgetaut) konnte laut interner Validierung eine Vorhersagegenauigkeit von > 90 % (<sup>1</sup>H-NMR-Daten der lipophilen Metaboliten, <sup>1</sup>H-NMR-Daten der hydrophilen Metaboliten) bzw. > 95% (Datenfusionierung) erzielt werden. Die zur Klassentrennung führenden Unterschiede in den Datensätzen waren nicht an einzelnen Metaboliten festzumachen, so dass die nichtzielgerichteten Methoden weiterzuverfolgen sind.</p><p>Es wurde der Einfluss der Fischart (Studie mit 26 Fischproben weiterer Fischarten), der Einfluss des Einfrierverfahrens (Daten zweier Einfrierverfahren) und der Einfluss von Lagerzeiten (Lagerversuche mit 118 Fischproben, externe Validierung) auf die Vorhersage der Klassifikationsmodelle untersucht. Begleitend wurden mikrobiologische Untersuchungen durchgeführt.</p><p>Insgesamt wur","PeriodicalId":17952,"journal":{"name":"Lebensmittelchemie","volume":"79 S2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Oligomers in Plastic Food Contact Materials – Identification, Quantification, Migration and Risk Assessment\u0000 Oligomere in Lebensmittelkontaktmaterialien aus Kunststoff – Identifizierung, Quantifizierung, Migration und Risikobewertung","authors":"Marie Kubicova, Prof. Dr. Thomas Simat","doi":"10.1002/lemi.202552209","DOIUrl":"https://doi.org/10.1002/lemi.202552209","url":null,"abstract":"<p>Polymere werden häufig zur Herstellung von Lebensmittelkontaktmaterialien, u. a. Ver-packungen, Küchenutensilien und Geschirr eingesetzt. Oligomere, die aus mindestens zwei Monomereinheiten bestehen, entstehen als Nebenprodukte der Polymerisation in Mengen von bis zu wenigen Gewichtsprozenten (Oligomere < 1000 Da). Aufgrund der niedrigen Molmasse können diese aus dem Material austreten und auf das Lebensmittel bei Kontakt übertragen werden. Die Rahmenverordnung (EG) Nr. 1935/2004 für Lebensmittelkontaktmaterialien schreibt vor, dass Substanzen nicht in Mengen migrieren dürfen, die eine Gefahr für die Gesundheit darstellen könnten, signifikant die Zusammensetzung des Lebensmittels ändern würden oder die organolep-tischen Eigenschaften des Lebensmittels negativ beeinflussen würden. Spezifische Bestimmungen zur Risikobewertung von Oligomeren sind jedoch sehr limitiert. Der Mangel an toxikologischen Daten sowie die geringe Verfügbarkeit von Referenzstandards zur Quantifizierung stellen zusätzlich eine Herausforderung bei der Gefahren-einstufung sowie der Expositionsabschätzung dar.</p><p>Die Zusammensetzung des Materials dient zur Vorhersage der Oligomerstrukturen und stellt damit den Startpunkt einer Oligomeranalyse dar. Wenn keine ausreichenden Informationen aus dem Materialdatenblatt oder der Konformitätserklärung herausge-zogen werden können, kann häufig eine schnelle experimentelle Identifizierung des Materials, z. B. anhand der Infrarot-Spektroskopie, vorgenommen werden. Allerdings kann die Monomerzusammensetzung, z. B. bei biobasierten und kompostierbaren Polyestern, sehr variabel sein, wodurch keine einfache Identifizierung vorgenommen werden kann. Für solche Fälle wurde eine Methode basierend auf basischer Hydrolyse und anschließender chromatographischer Analyse entwickelt und teilvalidiert.</p><p>Im Rahmen dieser Arbeit wurde der Prozess der Oligomeridentifizierung, -quantifizierung und -migration für drei Polymere/Oligomergruppen beschrieben: 1) Polybutylen-terephthalat (PBT), ein „einfacher” Polyester aus zwei Monomeren (Terephthalsäure und 1,4-Butandiol), 2) Tritan™, ein „komplexerer” Polyester aus drei Monomeren (Terephthalsäure und die chiralen Diole 1,4-Cyclohexandimethanol und 2,2,4,4-Tetramethyl-1,3-cyclobutandiol) und 3) Styrol-Acrylnitril- (SAN) sowie Acrylnitril-Butadien-Styrol-Copolymer (ABS, nicht zur Migrationsprüfung eingesetzt). Bei SAN und ABS handelt es sich um Nicht-Polyester, die Styrol-Acrylnitril-Oligomere beinhalten.</p><p>Die Oligomere wurden aus den jeweiligen Polymeren mittels Lösemittelextraktion oder eines Lösen-Fällen-Verfahrens isoliert. Basierend auf den aus der Kenntnis der Monomere vorhergesagten Oligomerstrukturen wurden 23 verschiedene Oligomere aus PBT sowie Stereoisomere von einem Dimer und fünf Trimeren aus SAN/ABS mithilfe von Gas- und Hochdruckflüssigchromatographie mit Massenspektrometrie erfasst. Identifizierung von Tritan™-Oligomeren war aufgrund der vielen individuellen Oligomerstrukturen un","PeriodicalId":17952,"journal":{"name":"Lebensmittelchemie","volume":"79 S2","pages":"S2-016-S2-021"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144323431","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}