X-ray and electron diffraction methods independently identify the S-enantiomer of Berkecoumarin [systematic name: (S)-8-hydroxy-3-(2-hydroxypropyl)-6-methoxy-2H-chromen-2-one]. Isolated from Berkeley Pit Lake Penicillium sp., Berkecoumarin is a natural product with a light-atom composition (CHO) that challenges in-house absolute structure determination by anomalous scattering. This study further demonstrates the utility of dynamical refinement of electron-diffraction data for absolute structure determination.
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http://dx.doi.org/10.1107/S2053229624003061 | DOI Listing |
J Nat Prod
January 2025
Shaanxi Key Laboratory of Natural Products & Chemical Biology, College of Chemistry and Pharmacy, Northwest A&F University, Yangling, Shaanxi 712100, People's Republic of China.
A chemical investigation of the soil-derived fungus sp. XZ8 led to the isolation of five new indole alkaloids, trichindoles A-E (-), with diverse architectures, along with seven known analogues (-). Their structures were elucidated by extensive spectroscopic data analysis, and their absolute configurations were determined by single-crystal X-ray diffraction and modified Mosher's method.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Department of Physics, Rutgers University, Newark, New Jersey 07102, United States of America.
Graph Neural Networks (GNNs) have emerged as powerful tools for predicting material properties, yet they often struggle to capture many-body interactions and require extensive manual feature engineering. Here, we present EOSnet (Embedded Overlap Structures for Graph Neural Networks), a novel approach that addresses these limitations by incorporating Gaussian Overlap Matrix (GOM) fingerprints as node features within the GNN architecture. Unlike models that rely on explicit angular terms or human-engineered features, EOSnet efficiently encodes many-body interactions through orbital overlap matrices, providing a rotationally invariant and transferable representation of atomic environments.
View Article and Find Full Text PDFSensors (Basel)
January 2025
Fujian Provincial Key Laboratory of Terahertz Functional Devices and Intelligent Sensing, School of Mechanical Engineering and Automation, Fuzhou University, Fuzhou 350108, China.
A bolt loosening detection method based on the summation coefficient of the absolute spectrum ratio technique is proposed to address the prevalent issue of bolt loosening in mechanical connections. This proposed method involves initially collecting vibration and rotation speed signals of the motor bolt connection structure, acquiring the baseline spectrum curve of a healthy structure and the spectrum curves of non-healthy structures under different degrees of bolt looseness through chirp Fourier transform (CFT). Subsequently, the spectrum ratio curves between healthy and non-healthy structures are calculated for different degrees of bolt loosening, and then the Summation Coefficient of Absolute Spectrum Ratio (SCASR) is defined to indicate the looseness.
View Article and Find Full Text PDFFoods
December 2024
College of Food Science and Engineering, Jiangxi Agricultural University, Nanchang 330045, China.
Interfacial properties significantly influence emulsifying and foaming stability. We here explore the interfacial behavior of egg yolk granules (EYGs) combined with various Span emulsifiers (Span 20, 40, 60, 80) to assess their solution properties, interface dynamics, and effects on emulsifying and foaming stability. The results unveiled that as the Span concentration increased, particle size decreased from 7028 to 1200 nm, absolute zeta potential increased from 4.
View Article and Find Full Text PDFInt J Mol Sci
December 2024
Institute of Molecular and Translational Therapeutic Strategies (IMTTS), Hannover Medical School, 30625 Hannover, Germany.
Ischemic heart disease is the leading cause of death worldwide. Reduced oxygen supply and myocardial hypoxia lead to tissue damage and impairment of the heart function. To the best of our knowledge, the primary functional effects of hypoxia in the multicellular model of living myocardial slices (LMSs) have not been investigated so far.
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