Results 51 to 60 of about 297,128 (308)

Comprehensive Metabolite Identification Strategy Using Multiple Two-Dimensional NMR Spectra of a Complex Mixture Implemented in the COLMARm Web Server.

Analytical Chemistry, 2016
Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web server, COLMARm, that permits the coanalysis of up to three two-dimensional (2D) NMR spectra ...
Kerem Bingol, Da-Wei Li, Bo Zhang, R. Brüschweiler   +3 more
semanticscholar   +1 more source

Multi-Omic Profiling of Melophlus Sponges Reveals Diverse Metabolomic and Microbiome Architectures that Are Non-overlapping with Ecological Neighbors. [PDF]

, 2020
Marine sponge holobionts, defined as filter-feeding sponge hosts together with their associated microbiomes, are prolific sources of natural products. The inventory of natural products that have been isolated from marine sponges is extensive. Here, using
Agarwal, Vinayak, Allen, Eric E, Biggs, Jason S, Garg, Neha, Mohanty, Ipsita, Podell, Sheila   +5 more
core   +2 more sources

Large-Scale Evaluation of Major Soluble Macromolecular Components of Fish Muscle from a Conventional 1H-NMR Spectral Database

Molecules, 2020
Conventional proton nuclear magnetic resonance (1H-NMR) has been widely used for identification and quantification of small molecular components in food.
Feifei Wei, Minoru Fukuchi, Kengo Ito, K. Sakata, Taiga Asakura, Y. Date, J. Kikuchi   +6 more
semanticscholar   +1 more source

Determination of the Full 207Pb Chemical Shift Tensor of Anglesite, PbSO4, and Correlation of the Isotropic Shift to Lead–Oxygen Distance in Natural Minerals

Crystals, 2019
The full 207 Pb chemical shift (CS) tensor of lead in the mineral anglesite, PbSO 4 , was determined from orientation-dependent nuclear magnetic resonance (NMR) spectra of a large natural single crystal, using a global fit over two ...
Otto E. O. Zeman, Jennifer Steinadler, Rupert Hochleitner, Thomas Bräuniger   +3 more
doaj   +1 more source

Anti-inflammatory activity of 3-cinnamoyltribuloside and its metabolomic analysis in LPS-activated RAW 264.7 cells

BMC Complementary Medicine and Therapies, 2020
Background Inflammation is a response to tissue injuries, which is indispensable and important for human health, but excessive inflammation can potentially cause damage to the host organisms. Camellia nitidissima Chi, one traditional medicinal and edible
Zhennan Wang, Ying Guan, Rui Yang, Junjian Li, Junsong Wang, Ai-Qun Jia   +5 more
doaj   +1 more source

Analysis and information content of quadrupolar NMR in glasses: 25Mg NMR in vitreous MgSiO3 and CaMgSi2O6

Journal of Magnetic Resonance Open, 2022
The static wideline and high-resolution magic angle spinning (MAS) 25Mg NMR lineshapes measured for isotopically enriched enstatite and diopside glasses indicate a wide distribution of the electric-field gradient (EFG) components at the 25Mg position ...
Marcos de Oliveira, Jr., Hugo Damasceno, Philip S. Salmon, Hellmut Eckert   +3 more
doaj  

Establishment of an early diagnosis model of colon cancerous bowel obstruction based on 1H NMR.

PLoS ONE, 2022
ObjectiveTo prospectively establish an early diagnosis model of acute colon cancerous bowel obstruction by applying nuclear magnetic resonance hydrogen spectroscopy(1H NMR) technology based metabolomics methods, combined with machine learning.MethodsIn ...
Jie Zeng, Jin Peng, Hua Jiang, Pengchi Deng, Kexun Li, Daolin Long, Kai Wang   +6 more
doaj   +1 more source

Analyzing Carbon-13 NMR Spectra to Predict Chemical Shifts of Carbon Compounds using Machine Learning Algorithms

Morganton Scientific
Nuclear Magnetic Resonance (NMR) is a fundamental tool in chemistry for elucidating the molecular structure of unidentified substances. The evaluation of 13C NMR spectra can be challenging due to the numerous factors that affect the peaks and their ...
Pranav Agrawala
semanticscholar   +1 more source

Lattice simulation method to model diffusion and NMR spectra in porous materials [PDF]

, 2014
A coarse-grained simulation method to predict NMR spectra of ions diffusing in porous carbons is proposed. The coarse-grained model uses input from molecular dynamics simulations such as the free-energy profile for ionic adsorption, and density-functional theory calculations are used to predict the NMR chemical shift of the diffusing ions. The approach
arxiv   +1 more source

Genome-inspired molecular identification in organic matter via Raman spectroscopy

, 2016
Rapid, non-destructive characterization of molecular level chemistry for organic matter (OM) is experimentally challenging. Raman spectroscopy is one of the most widely used techniques for non-destructive chemical characterization, although it currently ...
Bryndzia, L. Taras, Ferralis, Nicola, Grossman, Jeffrey C., Liu, Yun   +3 more
core   +1 more source