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(Mass spectrometric) non-target screening is a preferably comprehensive and untargeted (predominantly organic molecules detecting) approach combining (robust) analytical measurements with adapted data evaluation concepts, systematic compound identification workflows, and statistical data interpretation. It is well suitable for the identification of new, unexpected and/or unknown organic compounds as well as monitoring 'molecular fingerprints' and profiling 'process-relevant' molecules via statistical methods. In recent years, 14 articles in various disciplines were published and presented in this Special Issue, whereby it contains 4 peer-reviewed review articles and 10 peer-reviewed research articles dealing with non-target screening strategies and solutions.
Mass spectrometry. --- Chemical ionization mass spectrometry. --- Mass spectrometry --- Mass spectra --- Mass spectrograph --- Mass spectroscopy --- Mass spectrum analysis --- Mass (Physics) --- Nuclear spectroscopy --- Spectrum analysis
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This detailed volume provides a comprehensive overview of state-of-the-art metabolomics methods based on mass spectrometry (MS), and their application in food, nutrition, and biomedical research. The chapters assembled herein cover hot topics related to sample preparation, chromatographic and electrophoretic separation, MS-based analysis, as well as data processing and analysis. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step and readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Mass Spectrometry for Metabolomics serves as a timely guide for chemists, biochemists, biologists, nutritionists, clinicians, and other experts working in the growing and exciting field of metabolomics.
Mass spectroscopy. --- Biochemistry. --- Metabolism. --- Cell biology. --- Mass Spectrometry. --- Metabolic Pathways. --- Cell biology --- Cellular biology --- Biology --- Cells --- Anabolism --- Catabolism --- Metabolism, Primary --- Primary metabolism --- Biochemistry --- Physiology --- Biological chemistry --- Chemical composition of organisms --- Organisms --- Physiological chemistry --- Chemistry --- Medical sciences --- Mass spectra --- Mass spectrograph --- Mass spectroscopy --- Mass spectrum analysis --- Mass (Physics) --- Nuclear spectroscopy --- Spectrum analysis --- Composition
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In this thesis, attention was paid to several novel oxygenated fuels—carbonates, polyethers and ketones. Combustion kinetic investigations were performed for typical representative compounds, including dimethyl carbonate, diethyl carbonate, cyclopentanone, 3-pentanone, 1,2-dimethoxyethane and dimethoxymethane. For experiments, suitable diagnostic techniques were used to measure the detailed speciation information of the target fuels under different conditions. For kinetic modeling, rate coefficients for crucial elementary reactions were obtained through high-level theoretical calculations. Based on that, validated kinetic models with good predictive performances were developed. On the basis of experimental measurements and model interpretations, this work highlighted two important combustion characteristics regarding the practical use: the pollutant formation and the ignition performance. Besides, the correlation between oxygen-containing functional groups and the aforementioned combustion characteristics was revealed. To reveal the potential interactions between the reaction networks of oxygenated additives and the hydrocarbon base fuels during combustion. Chemical structures of laminar premixed flames fueled by binary fuels were measured, and by changing the initial fuel compositions, the addition effects of the oxygenates on the fuel consumption and pollutant formation behaviors were explored. It was found that complicated chemical interactions do not exist in the reaction networks under the investigated conditions.
Materials. --- Catalysis. --- Force and energy. --- Mass spectroscopy. --- Chemical kinetics. --- Materials for Energy and Catalysis. --- Mass Spectrometry. --- Reaction Kinetics. --- Chemical reaction, Kinetics of --- Chemical reaction, Rate of --- Chemical reaction, Velocity of --- Chemical reaction rate --- Chemical reaction velocity --- Kinetics, Chemical --- Rate of chemical reaction --- Reaction rate (Chemistry) --- Velocity of chemical reaction --- Chemical affinity --- Reactivity (Chemistry) --- Activation (Chemistry) --- Chemistry, Physical and theoretical --- Surface chemistry --- Engineering --- Engineering materials --- Industrial materials --- Engineering design --- Manufacturing processes --- Mass spectra --- Mass spectrograph --- Mass spectroscopy --- Mass spectrum analysis --- Mass (Physics) --- Nuclear spectroscopy --- Spectrum analysis --- Conservation of energy --- Correlation of forces --- Energy --- Physics --- Dynamics --- Materials
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