Bayesian Peak Picking for NMR Spectra
Genomics, Proteomics & Bioinformatics, 2013 Abstract Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein–DNA interactions and so on.
Yichen Cheng, Xin Gao 0001, Faming Liang
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Neural Networks for Conversion of Simulated NMR Spectra from Low-Field to High-Field for Quantitative Metabolomics. [PDF]
MetabolitesBackground: The introduction of benchtop NMR instruments has made NMR spectroscopy a more accessible, affordable option for research and industry, but the lower spectral resolution and SNR of a signal acquired on low magnetic field spectrometers may ...
Johnson H, Tipirneni-Sajja A.
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Analysis and classification of 1H-NMR spectra by multifractal analysis. [PDF]
PLoS One, 2023 The objective of this research focuses on the development of a statistical methodology able to answer the question of whether variation in the intake of sulfur amino acids (SAA) affects the metabolic process.
Kim J +3 more
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Using neural networks to obtain NMR spectra of both small and macromolecules from blood samples in a single experiment. [PDF]
Commun ChemMetabolomics plays a crucial role in understanding metabolic processes within biological systems. Using specific pulse sequences, NMR-based metabolomics detects small and macromolecular metabolites that are altered in blood samples.
Xiao X +5 more
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The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis. [PDF]
Sci DataMultidimensional NMR spectra are the basis for studying proteins by NMR spectroscopy and crucial for the development and evaluation of methods for biomolecular NMR data analysis.
Klukowski P +8 more
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Deriving three one dimensional NMR spectra from a single experiment through machine learning. [PDF]
Nat CommunNuclear Magnetic Resonance (NMR) spectroscopy is a powerful tool for analyzing complex mixtures due to its ability to manage matrix complexity, provide detailed molecular insights, and preserve sample integrity.
Vignoli A, Cacciatore S, Tenori L.
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Deep learning network for NMR spectra reconstruction in time-frequency domain and quality assessment. [PDF]
Nat CommunHigh-quality nuclear magnetic resonance (NMR) spectra can be rapidly acquired by combining non-uniform sampling techniques (NUS) with reconstruction algorithms.
Luo Y +7 more
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Synthesis and structure of polycyclic O-containing systems based on diarylmethylidenepiperidones (cyclanones) [PDF]
Известия Саратовского университета. Новая серия: Серия Химия. Биология. Экология, 2022 In this work, the interaction of diarylmethylidene piperidones with acetylacetone and acetoacetic ester has been studied. It has been shown that the transition to piperidone in the basis of dienone does not allow the selective synthesis of products.
Inshina, Tatiana V. +1 more
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Phase distortion-free paramagnetic NMR spectra
Journal of Magnetic Resonance Open, 2021 The NMR spectra of paramagnetic substances can feature shifts over thousands of ppm. In high magnetic field instruments, this corresponds to extreme offsets, which make it challenging or impossible to achieve uniform excitation without phase distortion ...
Enrico Ravera
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Editing of H2BC NMR spectra [PDF]
Magnetic Resonance in Chemistry, 2005 AbstractNew versions of the H2BC pulse sequence (Nyberg NT, Duus JØ, Sørensen OW. J. Am. Chem. Soc. 2005; 127: 6154) that edit into two subspectra according to the number of protons attached to 13C nuclei being odd or even are introduced. These sequences can be useful for resolving spectral overlap, which is demonstrated on the molecule prednisolone ...
Nils T, Nyberg +2 more
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