TY - JOUR AB - Potentially harmful disinfection by-products (DBPs) are formed upon drinking water treatment when disinfectants react with organic matter in the water. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) provides information on the compositions of individual DBPs in the unknown, toxicologically relevant fraction, comprising non-volatile, high-molecular weight DBPs. This review evaluates current applications of FT-ICR-MS for DBP analysis to assist improved analysis with this technique. Four methodological aspects are in focus, 1) The use of quenching agents, 2) The choice of extraction method 3) The choice of ionization techniques/modes, and 4) Data processing including DBP formula verification and interpretation. Quenching can lead to decomposition or adduct formation and needs to be further evaluated or avoided. There is a large potential to expand FT-ICR-MS DBP analysis by applying different SPE sorbents and ionization techniques, and improved systematic verification procedures are important to ensure reliable non-target analysis. AU - Andersson, A.* AU - Harir, M. AU - Bastviken, D.* C1 - 68271 C2 - 53622 CY - 125 London Wall, London, England TI - Extending the potential of Fourier transform ion cyclotron resonance mass spectrometry for the analysis of disinfection by-products. JO - Trends Analyt. Chem. VL - 167 PB - Elsevier Sci Ltd PY - 2023 SN - 0165-9936 ER - TY - JOUR AB - Disposal of munitions at dumpsites in coastal seas was conducted after WW I and II. Also, large amounts of unexploded munitions from wartime activities litter the seafloor. Corrosion of munition shells causes release of toxic munition compounds (MCs). Furthermore, explosion risks increase due to large-scale economic developments in coastal waters. Seafloor munition clearance by commercial and military entities form an ongoing task to eliminate environmental and security risks. Munition detection primarily relies on geophysical techniques. However, these methods do not provide unequivocal signatures for ordnance and suffer from false positives. Here we assess chemical approaches using spectroscopic and spectrometric methods for ordnance detection in seawater with a primary focus on MCs, but also including chemical warfare agents. We discuss novel analytical techniques suitable for near real-time munition detection at sea, incorporating pre-concentration and matrix removal steps of seawater samples. We also describe emerging real-time technologies for on-site MC detection in coastal waters. AU - Raupers, B.* AU - Passig, J. AU - Gehm, C.* AU - Beck, A.J.* AU - Esposito, M.* AU - Gledhill, M.* AU - Zimmermann, R. AU - Achterberg, E.P.* C1 - 68575 C2 - 53710 CY - The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1gb, Oxon, England TI - In situ detection of munition compounds in coastal waters. JO - Trends Analyt. Chem. VL - 163 PB - Elsevier Sci Ltd PY - 2023 SN - 0165-9936 ER - TY - JOUR AB - Time-of-flight mass spectrometry combines fast acquisition speed with the ability to collect full spectral information and over the last years also high mass resolution instrumentation became available for customers. These features make TOFMS very interesting for the hyphenation with fast or comprehensive two-dimensional gas chromatography. This publication reviews the technical progress of TOF-techniques with the focus on their compatibility with fast and ultra-fast chromatographic separations. A special focus is put on ionization techniques and data visualization approaches, covering related review article as well as selected primary literature and studies. AU - Gröger, T.M. AU - Käfer, U. AU - Zimmermann, R. C1 - 57396 C2 - 47725 CY - The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1gb, Oxon, England TI - Gas chromatography in combination with fast high-resolution time-of-flight mass spectrometry: Technical overview and perspectives for data visualization. JO - Trends Analyt. Chem. VL - 122 PB - Elsevier Sci Ltd PY - 2020 SN - 0165-9936 ER - TY - JOUR AB - Multi-omics applications are essential tools in systems medicine and biology. Alterations in molecular fingerprints are closely related to changes in cellular and subcellular function, but a linkage of functional investigations and omics analyses is quite rare. In mitochondria, lipids, proteins and post-translational modifications thereof are directly linked to function but also to structure. However, the complementary combination of multi-omics analyses and functional investigations in mitochondrial research is challenging. Analytical chemists can implement this strategy in systems medicine projects, thereby providing comprehensive results as a base for correct data interpretation and a deeper understanding of the role of mitochondria in health and disease. In this review we will discuss state-of-the-art approaches of this multistep process focussing on analytical, but also pre-analytical aspects, like mitochondrial purification and sample quality control, as joint key for valid functional multi-omics investigations of mitochondria by complementary lipidomics, proteomics and respiratory analyses. (C) 2019 The Authors. Published by Elsevier B.V. AU - Kappler, L.* AU - Lehmann, R. C1 - 56875 C2 - 47410 CY - The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1gb, Oxon, England TI - Mass-spectrometric multi-omics linked to function - State-of-the-art investigations of mitochondria in systems medicine. JO - Trends Analyt. Chem. VL - 119 PB - Elsevier Sci Ltd PY - 2019 SN - 0165-9936 ER - TY - JOUR AB - Element speciation offers deeper insight into the molecular mechanisms of disease by determining element species pattern. Thus, having great potential for investigating neurodegeneration in Alzheimer's disease, Parkinson's disease, amyotrophic lateral sclerosis, and mild cognitive impairment, speciation is increasingly considered in epidemiological or clinical neurological studies. This review analyses recent speciation findings in neurodegeneration research, concentrating on measurements in cerebrospinal fluid and brain. Elements considered are aluminum, arsenic, copper, iron, mercury, manganese, selenium and zinc. Also interactions of trace element species are discussed briefly. Typically, hyphenated techniques are used in neurodegeneration speciation studies. The results allow sorting-out less important species from compounds significant for the disease, with subsequent use of molecular biology methods to uncover the exact mechanisms. This review indicates the trend of combining speciation and neuroscience and provides a sketch about data and outcomes. For brain research, we recommend using modern, powerful techniques throughout which provide advanced validity and information in a chemical sense. AU - Michalke, B. AU - Willkommen, D. AU - Drobyshev, E.* AU - Solovyev, N.* C1 - 51891 C2 - 43557 CY - The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1gb, Oxon, England SP - 160-170 TI - The importance of speciation analysis in neurodegeneration research. JO - Trends Analyt. Chem. VL - 104 PB - Elsevier Sci Ltd PY - 2017 SN - 0165-9936 ER - TY - JOUR AB - The huge variety of mycotoxins requires mass spectrometric approaches as they are applied to metabolomics in its targeted and non-targeted analytical forms. For quantitation of mycotoxins in targeted metabolomics, liquid chromatography coupled to triple quadrupole, Orbitrap™ or time-of-flight mass spectrometers provide accurate results. For identification in non-targeted metabolomics, combinations of UPLC and high resolution mass spectrometry (HRMS) are desirable, but mass resolution is compromised by the mass analyzer's scan rates, required for UPLC. In this review, the application of Orbitrap™, time-of-flight and FT-ICR-MS techniques to mycotoxin research is covered and compared to each other. A superior advantage of all HRMS instruments is that they allow a retrospective data treatment thus preserving the information for later reprocessing. Up to date, ultra high resolving FT-ICR-MS is the only method to unequivocally assign elementary sum formulae but cannot be coupled to UPLC without losing resolution power. AU - Rychlik, M.* AU - Kanawati, B. AU - Schmitt-Kopplin, P. C1 - 51414 C2 - 43210 CY - Oxford SP - 22-30 TI - Foodomics as a promising tool to investigate the mycobolome. JO - Trends Analyt. Chem. VL - 96 PB - Elsevier Sci Ltd PY - 2017 SN - 0165-9936 ER - TY - JOUR AB - This review summarizes current knowledge about the interplay between fate and effects of the antibiotic sulfadiazine in soil ecosystems. In applying manure from antibiotic-treated animals to arable soils, sulfadiazine can reach the environment, but fate and transformation processes and the consequences for soil microorganisms and soil functions have not been studied adequately. Since antibiotics are explicitly designed to affect microorganisms, they are likely to affect "non-target" microbes in the soil ecosystem. Recent papers provide new insights into the disappearance dynamics of sulfadiazine, its effects on distinct microbial communities and the development of antibiotic resistance. AU - Schauss, K. AU - Focks, A.* AU - Heuer, H.* AU - Kotzerke, A.* AU - Schmitt, H.* AU - Thiele-Bruhn, S.* AU - Smalla, K.* AU - Wilke, B.-M.* AU - Matthies, M.* AU - Amelung, W.* AU - Klasmeier, J.* AU - Schloter, M. C1 - 684 C2 - 26171 SP - 2077-2081 TI - Analysis, fate and effects of the antibiotic sulfadiazine in soil ecosystems. JO - Trends Analyt. Chem. VL - 28 IS - 5 PB - Elsevier Sci Ltd PY - 2009 SN - 0165-9936 ER - TY - JOUR AU - Michalke, B. AU - Schramel, P. C1 - 3835 C2 - 22718 SP - 15-18 TI - Quality adopted throughout speciation: Report on the third international conference on trace element speciation in biomedical, nutritional and environmental sciences. JO - Trends Analyt. Chem. VL - 23 PY - 2004 SN - 0165-9936 ER - TY - JOUR AB - This two-part article covers the application of liquid chromatography (LC) combined with inductively coupled plasma-mass spectrometry (ICP-MS) in the field of speciation. In this second part, the focus is on some key elements" in speciation as well as the most popular elements for speciation. As examples, it describes some recent publications on As-, Se- and Cd-speciation, including investigations on metal-lothioneins, as well as iodine-speciation and Pt-speciation. Tin-speciation is still dominated by GC-AED, but has recently become of interest in LC-ICP-NIS hyphenations. AU - Michalke, B. C1 - 9835 C2 - 20153 SP - 154-165 TI - The coupling of LC to ICP-MS in element speciation - Part II: Recent trends in application. JO - Trends Analyt. Chem. VL - 21 PB - Elsevier PY - 2002 SN - 0165-9936 ER - TY - JOUR AB - This article covers the use of liquid chromatography (LC) combined with inductively coupled plasma mass spectrometry (ICP-MS) in the field of speciation. The potential and advantages of the separation methods in element speciation are shown. The focus is also on changes in species information during separation when using different separation mechanisms. Problems found during element detection, due to the analytes or mobile phase composition, are outlined, as well as the advantages of ICP-MS as an LC detector. The hyphenation of LC and ICP-MS itself causes problems, especially in element speciation. These difficulties are described and solutions and recent developments for overcoming the problems or improving hyphenation efficiency are given. AU - Michalke, B. C1 - 9836 C2 - 20154 SP - 142-153 TI - The coupling of LC to ICP-MS in element speciation. Part I: General aspects. JO - Trends Analyt. Chem. VL - 21 PB - Elsevier PY - 2002 SN - 0165-9936 ER - TY - JOUR AU - Zischka, M.* AU - Schramel, P. AU - Muntau, H.* AU - Rehnert, A.* AU - Gomez, M.G.* AU - Stojanik, B.* AU - Wannemaker, G.* AU - Dams, R.* AU - Quevauviller, Ph.* AU - Maier, E.A.* C1 - 9837 C2 - 20732 SP - 851-868 TI - A new certified reference material for the quality control of palladium, platinum and rhodium in road dust, BCR-723. JO - Trends Analyt. Chem. VL - 21 PY - 2002 SN - 0165-9936 ER -