Distinction between normal and renal cell carcinoma kidney cortical biopsy samples using pattern recognition of1H magic angle spinning (MAS) NMR spectra

2000 ◽  
Vol 13 (2) ◽  
pp. 64-71 ◽  
Author(s):  
A. Rosemary Tate ◽  
Peta J. D. Foxall ◽  
Elaine Holmes ◽  
Detlef Moka ◽  
Manfred Spraul ◽  
...  
Keyword(s):  
Renal Cell Carcinoma ◽  
Pattern Recognition ◽  
Cell Carcinoma ◽  
Renal Cell ◽  
Nmr Spectra ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Magic Angle ◽  
Angle Spinning

Article

1999 ◽  
Vol 77 (11) ◽  
pp. 1962-1972
Author(s):  
Scott Kroeker ◽  
Roderick E Wasylishen
Keyword(s):  
Nmr Spectra ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Spin Coupling ◽  
Group Symmetry ◽  
Magic Angle ◽  
Chemical Shielding ◽  
Shielding Tensor ◽  
Angle Spinning ◽  
Spin Spin Coupling

Direct NMR observation of copper-63/65 nuclei in solid K3Cu(CN)4 provides the first experimental example of anisotropic copper chemical shielding. Axially symmetric by virtue of the space group symmetry, the shielding tensor spans 42 ppm, with the greatest shielding when the unique axis is perpendicular to the applied magnetic field. The nuclear quadrupole coupling constant is also appreciable, CQ(63Cu) = -1.125 MHz, reflecting a deviation of the Cu(CN)43- anion from pure tetrahedral symmetry. Spin-spin coupling to 13C nuclei in an isotopically enriched sample is quantified by line-shape simulations of both 13C and 63/65Cu magic-angle spinning (MAS) NMR spectra to be 300 Hz. It is shown that this information is also directly available by 63/65Cu triple-quantum (3Q) MAS NMR. The relative merits of these three approaches to characterizing spin-spin couplings involving half-integer quadrupolar nuclei are discussed. Chemical shielding tensors for nitrogen-15 and carbon-13 are obtained from NMR spectra of non-spinning samples, and are compared to those of tetrahedral group 12 tetracyanometallates. Finally, 2J(63/65Cu,15N) detected in 15N MAS experiments are found to be 19 and 20 Hz for the two crystallographically distinct cyanide ligands.Key words: NMR, quadrupolar nucleus, chemical shielding tensor, multiple-quantum magic-angle spinning, metal cyanide, spin-spin coupling.

Ultrafast high-resolution magic-angle-spinning NMR spectroscopy

The Analyst ◽  
2015 ◽  
Vol 140 (12) ◽  
pp. 3942-3946 ◽  
Author(s):  
Marion André ◽  
Martial Piotto ◽  
Stefano Caldarelli ◽  
Jean-Nicolas Dumez
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
Nmr Spectra ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Magic Angle ◽  
Solid Samples ◽  
Semi Solid ◽  
Angle Spinning

The acquisition of ultrafast high-resolution magic-angle spinning (HR-MAS) NMR spectra of semi-solid samples is demonstrated.

Using high-resolution magic angle spinning magnetic resonance spectroscopy to characterize the metabolomic profile of renal cell carcinoma.

2020 ◽  
Vol 38 (6_suppl) ◽  
pp. 710-710
Author(s):  
Melissa Jessica Huynh ◽  
Andrew Gusev ◽  
Francesco Palmas ◽  
Lindsey Vandergrift ◽  
Chin-Lee Wu ◽  
...  
Keyword(s):  
Renal Cell Carcinoma ◽  
Magnetic Resonance ◽  
High Resolution ◽  
Magnetic Resonance Spectroscopy ◽  
Renal Cell ◽  
Magic Angle Spinning ◽  
Resonance Spectroscopy ◽  
Magic Angle ◽  
Metabolomic Profile ◽  
Angle Spinning

710 Background: Renal cell carcinoma (RCC) is a metabolic disease, with the various subtypes exhibiting aberrations in different metabolic pathways. Metabolomics may offer greater sensitivity for revealing disease biology than evaluation of tissue morphology. In this study, we investigate the metabolomic profile of RCC using high resolution magic angle spinning (HRMAS) magnetic resonance spectroscopy (MRS). Methods: Tissue samples were obtained from radical or partial nephrectomy specimens that were fresh frozen & stored at -80ºC. Tissue HRMAS MRS was performed by a Bruker AVANCE spectrometer. Metabolomic profiles of RCC & adjacent benign renal tissue were compared, and false discovery rates (FDR) were used to account for multiple testing. Regions of interest (ROI) with FDR < 0.05 were selected as potential predictors of malignancy. The Wilcoxon rank sum test was used to compare median MRS relative intensities for the candidate predictors. Logistic regression was used to determine odds ratios for risk of malignancy based on abundance of each metabolite. Results: There were 38 RCC (16 clear cell, 11 papillary, 11 chromophobe) & 13 adjacent normal tissue specimens (matched pairs). Metabolic predictors of malignancy based on FDR include histidine, phenylalanine, phosphocholine, serine, phosphocreatine, creatine, glycerophosphocholine, valine, glycine, myo-inositol, scylla-inositol, taurine, glutamine, spermine, acetoacetate & lactate. Higher levels of spermine, histidine & phenylalanine at 3.15-3.13 ppm were associated with a decreased risk of RCC (OR 4x10−5, 95% CI 7.42x10−8, 0.02), while 2.84-2.82 ppm increased the risk of malignant pathology (OR 7158.67, 95% CI 6.3, 8.3x106), and the specific metabolites characterizing this region remain to be identified. Tumor stage did not appear to affect the metabolomics of malignant tumors, suggesting that metabolites are more dependent on histologic subtype. Conclusions: HRMAS-MRS identified many metabolites that may predict RCC. We demonstrated that those in the 3.14-3.13 ppm ROI were present in lower levels in RCC, while higher levels of metabolites in the 2.84-2.82 ppm ROI substantially increased the risk of RCC.

Continuous Flow Hyper-Polarized 129Xe-Mas Nmr Studies of Microporous Materials.

2003 ◽  
Vol 775 ◽  
Author(s):  
Andrei Nossov ◽  
Flavien Guenneau ◽  
Marie-Anne Springuel-Huet ◽  
Valérie Montouillout ◽  
Jean-Pierre Cognec ◽  
...  
Keyword(s):  
Continuous Flow ◽  
Nmr Spectra ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Magic Angle ◽  
Original Design ◽  
Nmr Studies ◽  
Powder Samples ◽  
Angle Spinning

Summary:A Magic Angle Spinning (MAS) NMR probe has been designed allowing the in-situ measurements of NMR spectra of working catalyst. The probe was built following the original design of M. Hunger [Hunger, 1995 #2]. It allows the magic angle spinning of powder samples up to 3.5 kHz, under gas flowing conditions, and at temperatures up to 573K.

A multinuclear MAS NMR study of the short-range structure of fluorophosphate glass

1992 ◽  
Vol 7 (7) ◽  
pp. 1892-1899 ◽  
Author(s):  
R.K. Brow ◽  
Z.A. Osborne ◽  
R.J. Kirkpatrick
Keyword(s):  
Nmr Spectra ◽  
Chemical Shifts ◽  
Spectroscopic Studies ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Magic Angle ◽  
Nmr Studies ◽  
Nmr Study ◽  
Fluorophosphate Glass ◽  
Angle Spinning

We have examined the bonding arrangements in Na–P–O–F and Na–Al–P–O–F glasses using 19F, 27Al, and 31P solid-state magic angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy. For the Al-free series of glasses, the 19F NMR spectra are dominated by peaks near +90 ppm, representative of F terminating P-chains. The formation of these bonds has little effect on the 31P chemical shifts, indicating that F preferentially replaces bridging oxygen on the phosphate tetrahedra, consistent with previous NMR studies of crystalline fluorophosphates and other spectroscopic studies of fluorophosphate glass. For the Na–Al–P–O–F glasses, 27Al NMR detects only octahedral Al-sites, the 19F NMR spectra include a second peak near −12 ppm due to F bonded to Al, and the 31P NMR spectra contain signals due to Q1-sites with one or more Al next-nearest neighbors. The relative intensity of the two 19F peaks correlates well with previous spectroscopic studies and shows that a greater fraction of F–P bonds forms when the base glass is remelted in NH4HF2.

scholarly journals HR-MAS NMR Applications in Plant Metabolomics

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 931
Author(s):  
Dieuwertje Augustijn ◽  
Huub J. M. de Groot ◽  
A. Alia
Keyword(s):  
Metabolic Profile ◽  
Nmr Spectra ◽  
Pulse Sequences ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Magic Angle ◽  
Plant Metabolomics ◽  
Extraction Step ◽  
Angle Spinning ◽  
Processing Steps

Metabolomics is used to reduce the complexity of plants and to understand the underlying pathways of the plant phenotype. The metabolic profile of plants can be obtained by mass spectrometry or liquid-state NMR. The extraction of metabolites from the sample is necessary for both techniques to obtain the metabolic profile. This extraction step can be eliminated by making use of high-resolution magic angle spinning (HR-MAS) NMR. In this review, an HR-MAS NMR-based workflow is described in more detail, including used pulse sequences in metabolomics. The pre-processing steps of one-dimensional HR-MAS NMR spectra are presented, including spectral alignment, baseline correction, bucketing, normalisation and scaling procedures. We also highlight some of the models which can be used to perform multivariate analysis on the HR-MAS NMR spectra. Finally, applications of HR-MAS NMR in plant metabolomics are described and show that HR-MAS NMR is a powerful tool for plant metabolomics studies.

Distribution of water in the pores of periodic mesoporous organosilicates – a proton solid state MAS NMR study

2018 ◽  
Vol 20 (46) ◽  
pp. 29351-29361 ◽  
Author(s):  
V. S. Veena ◽  
Kavya Illath ◽  
Anish Lazar ◽  
C. P. Vinod ◽  
T. G. Ajithkumar ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectra ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Magic Angle ◽  
Pore Filling ◽  
Nmr Study ◽  
Proposed Model ◽  
Water Layers ◽  
Angle Spinning

Proposed model of water layers and pore filling in ethane substituted periodic mesoporous organosilicates (PMOE) based on analysis of solid state magic angle spinning (MAS) proton NMR spectra.

29Si and 27Al MAS NMR study of the thermal transformations of kaolinite from North China

Clay Minerals ◽  
2003 ◽  
Vol 38 (4) ◽  
pp. 551-559 ◽  
Author(s):  
H. P. He ◽  
J . G. Guo ◽  
J . X. Zhu ◽  
C. Hu
Keyword(s):  
Nmr Spectra ◽  
Thermal Transformation ◽  
Carbonaceous Material ◽  
Magic Angle Spinning ◽  
Mas Nmr ◽  
Magic Angle ◽  
Thermal Transformations ◽  
Nmr Study ◽  
27Al Mas Nmr ◽  
Angle Spinning

AbstractThe thermal transformations of kaolinite have been studied using 27Al and 29Si magic angle spinning nuclear magnetic resonance (MAS NMR), X-ray diffraction (XRD), differential thermal analysis (DTA) and thermogravimetric analysis (TG). The experimental results show that this sample is a pure kaolinite which contains ∼3% carbonaceous material as impurity. 27Al and 29Si MAS NMR spectra show that the microstructural evolution of the thermal transformation of kaolinite at 450 –1050ºC is similar to that of the kaolinite– mullite reaction series previously published by many authors. 29Si MAS NMR spectra of mullite at 1190 and 1250ºC display two resonances at ∼ – 87 and –92 ppm, corresponding to sillimanite-type geometry around Si and the typical Si environment of mullite, respectively. At 1350ºC, the splitting of (hk0) and (kh0) of mullite occurs, indicating that the primary mullite transforms into orthorhombic mullite. Simultaneously, the resonance at ∼ – 92 ppm splits into two signals at ∼ –90 and –94 ppm. 27Al MAS NMR spectra of the mullite consist of three signals centred at ∼ –4, 45 and 60 ppm, corresponding to octahedral, distorted tetrahedral and tetrahedral Al sites, respectively.

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