A major obstacle for reusing and integrating existing data is finding the data that is most relevant in a given context. The primary metadata resource is the scientific literature describing the experiments that produced the data. To stimulate the development of natural language processing methods for extracting this information from articles, we have manually annotated 100 recent open access publications in Analytical Chemistry as semantic graphs. We focused on articles mentioning mass spectrometry in their experimental sections, as we are particularly interested in the topic, which is also within the domain of several ontologies and controlled vocabularies. The resulting gold standard dataset is publicly available and directly applicable to validating automated methods for retrieving this metadata from the literature. In the process, we also made a number of observations on the structure and description of experiments and open access publication in this journal.
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http://dx.doi.org/10.1021/acs.analchem.2c03565 | DOI Listing |
J Phys Chem Lett
January 2025
State Key Laboratory of Coordination Chemistry, Chemistry and Biomedicine Innovation Center (ChemBIC), School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210023, China.
The Ni-N(His) coordination bond, formed between the nickel ion and histidine residues, is essential for recombinant protein purification, especially in Ni-NTA-based systems for selectively binding polyhistidine-tagged (Histag) proteins. While previous studies have explored its bond strength in a synthetic Ni-NTA-Histag system, the influence of the surrounding protein structure remains less understood. In this study, we used atomic force microscopy-based single-molecule force spectroscopy (AFM-SMFS) to quantify the Ni-N(His) bond strength in calprotectin, a biologically relevant protein system.
View Article and Find Full Text PDFJ Agric Food Chem
January 2025
Institute of Chemistry, Food Chemistry, Martin Luther University Halle-Wittenberg, Kurt-Mothes-Str. 2, 06120 Halle (Saale), Germany.
Some lactic acid bacteria such as or contain genes encoding 4,6-α-glucanotransferases. These enzymes convert starch and maltodextrins into isomalto/malto-polysaccharides (IMMPs). Many studies focused on the properties of recombinant glucanotransferases, but limited knowledge is available on fermentative synthesis.
View Article and Find Full Text PDFAnal Chem
January 2025
Yunnan Key Laboratory of Modern Separation Analysis and Substance Transformation, College of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming 650500, Yunnan Province, P. R. China.
Early and portable detection of pathogenic bacteria is crucial for ensuring food safety, monitoring product quality, and tracing the sources of bacterial infections. Moving beyond traditional plate-culture counting methods, the analysis of active bacterial components offers a rapid means of quantifying bacteria. Here, metal-organic framework (MOF)-derived NiCo-layered double hydroxide nanosheets (LDHs), synthesized via the Kirkendall effect, were employed as highly effective oxidase mimics to generate reactive oxygen species (ROS).
View Article and Find Full Text PDFAnal Chem
January 2025
Instrumental Analytical Chemistry, University of Duisburg-Essen, Universitätsstraße 5, 45141 Essen, Germany.
Compound-specific stable isotope analysis (CSIA) using liquid chromatography-isotope ratio mass spectrometry (LC-IRMS) is a powerful tool for determining the isotopic composition of carbon in analytes from complex mixtures. However, LC-IRMS methods are constrained to fully aqueous eluents. Previous efforts to overcome this limitation were unsuccessful, as the use of organic eluents in LC-IRMS was deemed impossible.
View Article and Find Full Text PDFBiochemistry
January 2025
Palladin Institute of Biochemistry, National Academy of Sciences of Ukraine, 9, Leontovycha 9, Kyiv 01054, Ukraine.
The self-assembly of fibrin is a vital process in blood clotting, primarily facilitated by the interactions between knobs "A" and "B" in the central E region of one molecule and the corresponding holes "a" and "b" in the peripheral D regions of two other fibrin molecules. However, the precise function of the interactions between knob "B" and hole "b" during fibrin polymerization remains a subject of ongoing debate. The present study focuses on investigating intermolecular interactions between knob "B" and hole "b".
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!