In Paper I [Polimeno et al., J. Chem. Phys. 150, 184107 (2019)], we proposed a general approach for interpreting relaxation properties of a macromolecule in solution, derived from an atomistic description. A simple scheme (the semiflexible Brownian, SFB, model) has been defined for the case of limited internal flexibility, but retaining full coupling with external degrees of freedom, inclusion of all of the momenta, and dissipation. Here we discuss the application of the SFB model to the practical evaluation of orientation spectral densities, based on two complementary computational treatments.
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Anal Chim Acta
February 2025
Institute of Environmental Science, Shanxi University, Taiyuan 030006, China.
Hypochlorous acid (HClO) is a well-known inflammatory signaling molecule, while lipid droplets (LDs) are dynamic organelles closely related to inflammation. Using organic small-molecule fluorescence imaging technology to target LDs for precise monitoring of HClO is one of the most effective methods for diagnosing inflammation-related diseases. A thorough investigation of how probes detect biological markers and the influencing factors can aid in the design of probe molecules, the selection of high-performance tools, and the accuracy of disease detection.
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January 2025
Department of Electronics Engineering, Kaunas University of Technology, 51368 Kaunas, Lithuania.
The application of spread-spectrum signals (arbitrary pulse width and position (APWP) sequences) in air-coupled resonant ultrasound spectroscopy is studied. It was hypothesized that spread-spectrum signal optimization should be based on te signal to noise ratio (SNR). Six APWP signal optimization criteria were proposed for this purpose.
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January 2025
Guangdong Institute of Intelligence Science and Technology, Hengqin, Zhuhai 519031, China.
Electroencephalogram (EEG) signals are important bioelectrical signals widely used in brain activity studies, cognitive mechanism research, and the diagnosis and treatment of neurological disorders. However, EEG signals are often influenced by various physiological artifacts, which can significantly affect data analysis and diagnosis. Recently, deep learning-based EEG denoising methods have exhibited unique advantages over traditional methods.
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December 2024
Department of Neurosurgery, Xuanwu Hospital, Capital Medical University, Beijing 100032, China.
Investigating the physiological mechanisms in the motor cortex during rehabilitation exercises is crucial for assessing stroke patients' progress. This study developed a single-channel Jansen neural mass model to explore the relationship between model parameters and motor cortex mechanisms. Firstly, EEG signals were recorded from 11 healthy participants under 20%, 40%, and 60% maximum voluntary contraction, and alpha rhythm power spectral density characteristics were extracted using the Welch power spectrum method.
View Article and Find Full Text PDFMolecules
December 2024
Institute of Earth Sciences, Faculty of Natural Sciences, University of Silesia in Katowice, 60, Będzińska, 41-200 Sosnowiec, Poland.
Cathinone and its synthetic derivatives belong to organic compounds with narcotic properties. Their structural diversity and massive illegal use create the need to develop new analytical methods for their identification in different matrices. NMR spectroscopy is one of the most versatile methods for identifying the structure of organic substances.
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