Complex mixtures are at the heart of biology, and biomacromolecules almost always exhibit their function in a mixture, e.g., the mode of action for a spider venom is typically dependent on a cocktail of compounds, not just the protein. Information about diseases is encoded in body fluids such as urine and plasma in the form of metabolite concentrations determined by the actions of enzymes. To understand better what is happening in real living systems we urgently need better methods to characterize such mixtures. In this paper we describe a potent way to disentangle the NMR spectra of mixture components, by exploiting data that vary independently in three or more dimensions, allowing the use of powerful algorithms to decompose the data to extract the information sought. The particular focus of this paper is on NMR diffusion data, which are typically bilinear but can be extended by a third dimension to give the desired data structure.
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http://dx.doi.org/10.1007/s10858-013-9752-8 | DOI Listing |
J Med Internet Res
January 2025
College of Public Health, The Ohio State University, Columbus, OH, United States.
Background: Young gay, bisexual, and other men who have sex with men have been referred to as a "hard-to-reach" or "hidden" community in terms of recruiting for research studies. With widespread internet use among this group and young adults in general, web-based avenues represent an important approach for reaching and recruiting members of this community. However, little is known about how participants recruited from various web-based sources may differ from one another.
View Article and Find Full Text PDFJ Am Soc Mass Spectrom
January 2025
Mass Spectrometry Data Center, Biomolecular Measurement Division, National Institute of Standards and Technology (NIST), Gaithersburg, Maryland, 20899, United States.
The Mass Spectrometry Data Center (MSDC) has recently started improving existing libraries and creating new ones for identifying and analyzing plastics-related compounds (PRC) and materials (PRM) as part of the NIST circular economy program. PRC are small molecules of dissimilar chemical nature; hence, to increase coverage, we have used three types of ionizations: EI, ESI, and APCI. PRM are solids that include polymers, polymer mixtures, and commercial plastics, so we have used pyrolysis-gas chromatography (py-GC-MS) to create a new searchable library.
View Article and Find Full Text PDFPLoS One
January 2025
Hebei Yingsheng New Material Technology Co., Ltd., Shijiazhuang, China.
Construction materials are significantly exposed to ecological hazards due to the presence of hazardous chemical constituents found in industrial and agricultural solid wastes. This study aims to investigate the use of sawdust particles (SDPs) and sawdust wastewater (SDW) in alkali-activated composites (AACs) made from a mixture of different silicon-aluminum-based solid wastes (slag powder-SP, red mud-RM, fly ash-FA, and carbide slag-CS). The study examines the impact of SDP content, treated duration of SDPs, and SDW content on both fresh and hardened properties of the AACs, including electrical conductivity, fluidity, density, flexural and compressive strengths, and drying shrinkage.
View Article and Find Full Text PDFSci Adv
January 2025
College of Life Science and Technology, Key Laboratory of Molecular Biophysics of the Ministry of Education, Huazhong University of Science and Technology, Wuhan 430074, China.
Yellow seed coat color (SCC) is a valuable trait in , which is significantly correlated to high seed oil content (SOC) and low seed lignocellulose content (SLC). However, no dominant yellow SCC genes were identified in . In this study, a dominant yellow SCC N53-2 was verified, and then 58,981 eQTLs and 25 trans-eQTL hotspots were identified in a double haploid population derived from N53-2 and black SCC material Ken-C8.
View Article and Find Full Text PDFPLoS One
January 2025
Research Centre for Plant Conservation, Botanic Gardens and Forestry, National Research and Innovation Agency, Bogor, Indonesia.
One way to treat diabetes mellitus type II is by using α-glucosidase inhibitor, that will slow down the postprandial glucose intake. Metabolomics analysis of Artabotrys sumatranus leaf extract was used in this research to predict the active compounds as α-glucosidase inhibitors from this extract. Both multivariate statistical analysis and machine learning approaches were used to improve the confidence of the predictions.
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