The effect of the growth medium used on the matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectra generated and its consequences for species and strain level differentiation of acetic acid bacteria (AAB) were determined by using a set of 25 strains. The strains were grown on five different culture media that yielded a total of more than 600 mass spectra, including technical and biological replicates. The results demonstrate that the culture medium can have a profound effect on the mass spectra of AAB as observed in the presence and varying signal intensities of peak classes, in particular when culture media do not sustain optimal growth. The observed growth medium effects do not disturb species level differentiation but strongly affect the potential for strain level differentiation. The data prove that a well-constructed and robust MALDI-TOF mass spectrometry identification database should comprise mass spectra of multiple reference strains per species grown on different culture media to facilitate species and strain level differentiation.
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http://dx.doi.org/10.1128/AEM.03708-13 | DOI Listing |
J Proteome Res
December 2024
Department of Artificial Intelligence, Hanyang University, Seoul 04763, Republic of Korea.
peptide sequencing is a valuable technique in mass-spectrometry-based proteomics, as it deduces peptide sequences directly from tandem mass spectra without relying on sequence databases. This database-independent method, however, relies solely on imperfect scoring functions that often lead to erroneous peptide identifications. To boost correct identification, we present NovoRank, a postprocessing tool that employs spectral clustering and machine learning to assign more plausible peptide sequences to spectra.
View Article and Find Full Text PDFRapid Commun Mass Spectrom
March 2025
Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Canada.
Rationale: In electrospray ionization and atmospheric pressure chemical ionization, the protonation site directly guides the ion's dissociation. But what if the site of protonation is ambiguous? In this study, we explored the unimolecular reactions of protonated α- and β-pinene ions with a combination of tandem mass spectrometry and theory. Each has multiple potential protonation sites that influence their chemistry.
View Article and Find Full Text PDFSci Rep
December 2024
Laboratory for Future Interdisciplinary Research of Science and Technology (FIRST), Institute of Integrated Research (IIR), Institute of Science Tokyo, 4259 Nagatsuta-cho, Midori, Yokohama, 226-8503, Kanagawa, Japan.
The sense of smell is fundamental for various aspects of human existence including the flavor perception, environmental awareness, and emotional impact. However, unlike other senses, it has not been digitized. Its digitalization faces challenges such as the lack of reliable odor sensing technology or the precise scent delivery through olfactory displays.
View Article and Find Full Text PDFJ Clin Periodontol
December 2024
Oral Sciences Research Group, Special Needs Unit, Department of Surgery and Medical-Surgical Specialties, School of Medicine and Dentistry, Universidade de Santiago de Compostela, Health Research Institute of Santiago (IDIS), Santiago de Compostela, Spain.
Aim: To discover new salivary biomarkers to diagnose periodontitis and evaluate the impact of age and smoking on predictive capacity.
Material And Methods: Saliva samples were collected from 44 healthy periodontal individuals and 41 with periodontitis. Samples were analysed by sequential window acquisition of all theoretical mass spectra (SWATH-MS), and proteins were identified by employing the UniProt database.
Water Res
December 2024
Institute for Advanced Membrane Technology (IAMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany. Electronic address:
Calcium (Ca)-enhanced organic matter (OM) fouling of nanofiltration (NF) membranes leads to reduced flux during desalination and requires frequent cleaning. Fouling mechanisms are not fully understood, which limits the development of targeted fouling control methods. This study employed synchrotron-based X-ray fluorescence (XRF) and X-ray absorption near-edge structure (XANES) spectroscopy to quantify the spatial distribution and mass of Ca deposition as well as changes in the Ca coordination environment characteristic of specific fouling mechanisms, respectively.
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