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Covering: up to 2018With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, and in parallel with, classical publishing outlets. A comprehensive compilation of historic to present-day cases as well as contemporary and future applications show that addressing the urgent need for a repository of publicly accessible raw NMR data has the potential to transform natural products (NPs) and associated fields of chemical and biomedical research. The call for advancing open sharing mechanisms for raw data is intended to enhance the transparency of experimental protocols, augment the reproducibility of reported outcomes, including biological studies, become a regular component of responsible research, and thereby enrich the integrity of NP research and related fields.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6350634 | PMC |
http://dx.doi.org/10.1039/c7np00064b | DOI Listing |
J Phys Chem B
September 2025
National Research Institute of Chinese Medicine, Ministry of Health and Welfare, Taipei 11221, Taiwan, ROC.
The synthesis of -tetrakis(3,4,5-trimethoxyphenyl)porphyrin [HT(3,4,5-OCH)PP] and cobalt(II) -tetrakis(3,4,5-trimethoxyphenyl)porphyrin [Co(T(3,4,5-OCH)PP)] has been successfully accomplished. The oxidation properties of [Co(T(3,4,5-OCH)PP)] have been assessed through UV-vis, NMR, and EPR techniques. It can be seen in the UV-vis spectrum that adding SbCl caused extra peaks to appear at 674 nm, which means that a π-cation radical was formed.
View Article and Find Full Text PDFPhys Rev Lett
August 2025
Southern University of Science and Technology, Department of Physics, State Key Laboratory of Quantum Functional Materials, and Guangdong Basic Research Center of Excellence for Quantum Science, Shenzhen 518055, China.
Quantum computing is expected to provide an exponential speedup in machine learning. However, optimizing the data loading process, commonly referred to as "quantum data embedding," to maximize classification performance remains a critical challenge. In this Letter, we propose a neural quantum embedding (NQE) technique based on deterministic quantum computation with one qubit (DQC1).
View Article and Find Full Text PDFPLoS One
September 2025
Datong Hongtai Mine Engineering Construction Co., Ltd. of Jinneng Holding Coal Industry Group, Datong, China.
To reveal the microscopic damage evolution law of rocks under the effect of unloading disturbances with different amplitudes, electron microscope scanning, nuclear magnetic resonance (NMR), and triaxial compression tests were carried out. The evolution patterns of surface and internal pore types and mechanical properties of rock specimens after unloading perturbation were analyzed. In this paper, a classification of the ratio of dmax/dmin (dmax and dmin refer to the maximum and minimum pore size of each pore, respectively) is proposed to examine the pore and crack evolution extension development on the surface of the specimen.
View Article and Find Full Text PDFIEEE J Biomed Health Inform
September 2025
Vision Transformer (ViT) applied to structural magnetic resonance images has demonstrated success in the diagnosis of Alzheimer's disease (AD) and mild cognitive impairment (MCI). However, three key challenges have yet to be well addressed: 1) ViT requires a large labeled dataset to mitigate overfitting while most of the current AD-related sMRI data fall short in the sample sizes. 2) ViT neglects the within-patch feature learning, e.
View Article and Find Full Text PDFAnn Acad Med Singap
August 2025
Dementia Research Centre (Singapore), Lee Kong Chian School of Medicine, Nanyang Technology University, Singapore.
Introduction: Interpretation and analysis of magnetic resonance imaging (MRI) scans in clinical settings comprise time-consuming visual ratings and complex neuroimage processing that require trained professionals. To combat these challenges, artificial intelligence (AI) techniques can aid clinicians in interpreting brain MRI for accurate diagnosis of neurodegenerative diseases but they require extensive validation. Thus, the aim of this study was to validate the use of AI-based AQUA (Neurophet Inc.
View Article and Find Full Text PDF