This paper introduces CMC-se-a program for computer-assisted structure elucidation. In the experimental part, the combination of modern analytical methods (LC-SPE-NMR/MS) and structure elucidation software is used for the identification of tentative markers in red wines.
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http://dx.doi.org/10.1002/mrc.4712 | DOI Listing |
Environ Toxicol Chem
January 2025
Zweckverband Landeswasserversorgung, Laboratory for Operation Control and Research, Langenau, Germany.
Monitoring of genotoxic chemicals released into the water cycle or formed through transformation processes is critical to prevent harm to human health. The development of the high-performance thin-layer chromatography (HPTLC)-umu bioassay combines sample separation and detection of genotoxic substances in the low ng/L concentration range. In this study, raw, process, and drinking water samples from 11 different waterworks in Germany were analyzed using the HPTLC-umu.
View Article and Find Full Text PDFIn recent years, a global increase in allergy incidence following chemical exposure has been observed. While the process of skin sensitization is well characterized through the adverse outcome pathway (AOP) framework, the immunological mechanisms underlying respiratory sensitization remain less well understood. Respiratory sensitizers are classified as substances of very high concern (SVHC) under the European Union (EU) regulation for the registration, evaluation, authorization and restriction of chemicals (REACH), emphasizing the importance of evaluating respiratory tract sensitization as a critical hazard.
View Article and Find Full Text PDFJ Am Soc Mass Spectrom
January 2025
Dipartimento di Scienze del Suolo, della Pianta e degli Alimenti, Università degli Studi di Bari Aldo Moro, Via G. Amendola 165/a, 70126 Bari, Italy.
Coenzyme Q (CoQ) and closely related compounds with varying isoprenoid tail lengths (CoQ, = 6-9) are biochemical cofactors involved in many physiological processes, playing important roles in cellular respiration and energy production. Liquid chromatography (LC) coupled with single or tandem mass spectrometry (MS) using electrospray (ESI) or atmospheric pressure chemical ionization (APCI) is considered the gold standard for the identification and quantification of CoQ in food and biological samples. However, the characteristic fragmentation exhibited by the CoQ radical anion ([M], / 862.
View Article and Find Full Text PDFFungal Syst Evol
December 2024
Plant Microbe Interaction Research Team, BIOTEC, National Science and Technology Development Agency (NSTDA) 111 Thailand Science Park, Phahonyothin Road, Khlong Nueng, Khlong Luang, Pathum Thani, 12120, Thailand.
During entomopathogenic fungal surveys conducted in Thailand, 15 specimens tentatively classified under were identified. To gain a comprehensive understanding of their taxonomy, molecular phylogenies using combined LSU, , , and sequence data, together with morphological examination of several spp. from previous studies were conducted.
View Article and Find Full Text PDFBMC Microbiol
January 2025
Microbiology and Immunology Department, October University for Modern Sciences and Arts (MSA), Giza, Egypt.
Background: Strain Cyp38S was isolated as an endophyte from the plant Cyperus alternifolius, collected along the banks of the River Nile in 2019. Preliminary analysis tentatively identified Cyp38S as belonging to the genus Pseudocitrobacter.
Methods: The preliminary identification of Cyp38S was performed using the VITEK2 identification system, MALDI-TOF-MS, and 16S rRNA gene sequencing.
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