Faculty Opinions recommendation of Urinary metabolic profiling by (1)H NMR spectroscopy in patients with cirrhosis may discriminate overt but not covert hepatic encephalopathy.

22 Background: Gastric cancer (GC) has 70-75% mortality, attributable to delayed diagnosis. There is no standard screening in North America. Metabolomics is a systems biology approach to measure low molecular weight chemicals (metabolites) in body fluids or tissues to provide a phenotypic “fingerprint” of disease etiology. In this preliminary study it was hypothesized that metabolic profiling of urine samples using 1H-NMR spectroscopy could discriminate between resectable gastric adenocarcinoma (GC), benign gastric disease (BN), and healthy (HE) patients (pts). Methods: Midstream urine samples were collected, processed, and biobanked at -80°C, from 30 BN, 30 HE and 16 of 29 GC pts visiting three Edmonton clinics from August 2013 – January 2014. Thirteen of 29 samples were retrieved from a 2009-13 GC biobank. Samples were matched on age, gender and BMI. Using a validated standard operating procedure each sample was analyzed using high resolution 1H-NMR spectroscopy. Resulting spectral traces were converted into annotated and quantified metabolite profiles of 58 metabolites. Univariate and multivariate statistical analysis uncovered a disease specific biomarker profile. Partial Least Squares Discriminant Analysis (PLS-DA) developed a GC vs. HE discriminative model. A Receiver Operator Characteristic (ROC) curve was constructed. Results: There was no significant difference in metabolite profiles between GC and BN pts. However, univariate analysis revealed 13 metabolites that differed significantly between GC and HE (p<0.05). Correlation analysis, followed by PLS-DA produced a discriminative model with an area under ROC curve of 0.996, such that for a specificity of 100% the corresponding sensitivity was 93%. Conclusions: GC pts have a distinct urinary metabolite profile compared to HE controls; however in this study metabolic profiling was unable to discriminate GC from BN pts. This was probably due to sample size and phenotypic heterogeneity of BN patients. This preliminary study shows clinical potential for metabolic profiling for early GC detection.

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1H Nuclear Magnetic Resonance: A Future Approach to the Metabolic Profiling of Psychedelics in Human Biofluids?

Frontiers in Psychiatry ◽

10.3389/fpsyt.2021.742856 ◽

2021 ◽

Vol 12 ◽

Author(s):

Sylvana Vilca-Melendez ◽

Malin V. Uthaug ◽

Julian L. Griffin

Keyword(s):

Nuclear Magnetic Resonance ◽

Nmr Spectroscopy ◽

Magnetic Resonance ◽

Metabolic Profiling ◽

Proton Nuclear Magnetic Resonance ◽

Future Directions ◽

H Nmr ◽

Nuclear Magnetic ◽

Psychedelic Research

While psychedelics may have therapeutic potential for treating mental health disorders such as depression, further research is needed to better understand their biological effects and mechanisms of action when considering the development of future novel therapy approaches. Psychedelic research could potentially benefit from the integration of metabonomics by proton nuclear magnetic resonance (1H NMR) spectroscopy which is an analytical chemistry-based approach that can measure the breakdown of drugs into their metabolites and their metabolic consequences from various biofluids. We have performed a systematic review with the primary aim of exploring published literature where 1H NMR analysed psychedelic substances including psilocin, lysergic acid diethylamide (LSD), LSD derivatives, N,N-dimethyltryptamine (DMT), 5-methoxy-N,N-dimethyltryptamine (5-MeO-DMT) and bufotenin. The second aim was to assess the benefits and limitations of 1H NMR spectroscopy-based metabolomics as a tool in psychedelic research and the final aim was to explore potential future directions. We found that the most current use of 1H NMR in psychedelic research has been for the structural elucidation and analytical characterisation of psychedelic molecules and that no papers used 1H NMR in the metabolic profiling of biofluids, thus exposing a current research gap and the underuse of 1H NMR. The efficacy of 1H NMR spectroscopy was also compared to mass spectrometry, where both metabonomics techniques have previously shown to be appropriate for biofluid analysis in other applications. Additionally, potential future directions for psychedelic research were identified as real-time NMR, in vivo1H nuclear magnetic resonance spectroscopy (MRS) and 1H NMR studies of the gut microbiome. Further psychedelic studies need to be conducted that incorporate the use of 1H NMR spectroscopy in the analysis of metabolites both in the peripheral biofluids and in vivo to determine whether it will be an effective future approach for clinical and naturalistic research.

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High-Resolution Magic-Angle Spinning-1H-NMR Spectroscopy-Based Metabolic Profiling of Hippocampal Tissue in Rats with Depression-Like Symptoms

Biological and Pharmaceutical Bulletin ◽

10.1248/bpb.b16-00783 ◽

2017 ◽

Vol 40 (6) ◽

pp. 789-796 ◽

Cited By ~ 8

Author(s):

Hayato Akimoto ◽

Shinji Oshima ◽

Kousuke Ohara ◽

Akio Negishi ◽

Hanako Hiroyama ◽

...

Keyword(s):

Nmr Spectroscopy ◽

High Resolution ◽

Metabolic Profiling ◽

Magic Angle Spinning ◽

Magic Angle ◽

H Nmr ◽

Hippocampal Tissue ◽

Angle Spinning

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Rifaximin's Effect on Covert Hepatic Encephalopathy in Cirrhosis Patients With Small Intestinal Bacterial Overgrowth and Gastrointestinal Dysmotility

Case Medical Research ◽

10.31525/ct1-nct04244877 ◽

2020 ◽

Author(s):

Keyword(s):

Hepatic Encephalopathy ◽

Bacterial Overgrowth ◽

Small Intestinal Bacterial Overgrowth ◽

Gastrointestinal Dysmotility ◽

Intestinal Bacterial Overgrowth ◽

Covert Hepatic Encephalopathy ◽

Small Intestinal

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Conformational study on ribonucleoside O-phosphonylmethyl derivatives by 1H NMR spectroscopy

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19851899 ◽

1985 ◽

Vol 50 (8) ◽

pp. 1899-1905 ◽

Cited By ~ 4

Author(s):

Milena Masojídková ◽

Jaroslav Zajíček ◽

Miloš Buděšínský ◽

Ivan Rosenberg ◽

Antonín Holý

Keyword(s):

Nmr Spectroscopy ◽

1H Nmr ◽

1H Nmr Spectroscopy ◽

Conformational Study ◽

H Nmr ◽

Conformational Properties

Conformational properties of ribonucleoside 5'-O-phosphonylmethyl derivatives have been determined by 1H NMR spectroscopy and compared with those of natural nucleosides and 5'-nucleotides.

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Monitoring the encapsulation of chlorin e6 derivatives into polymer carriers by NMR spectroscopy

Journal of Porphyrins and Phthalocyanines ◽

10.1142/s1088424619501815 ◽

2019 ◽

Vol 23 (11n12) ◽

pp. 1576-1586 ◽

Cited By ~ 1

Author(s):

Sara Pfister ◽

Luca Sauser ◽

Ilche Gjuroski ◽

Julien Furrer ◽

Martina Vermathen

Keyword(s):

Relaxation Time ◽

Nmr Spectroscopy ◽

Core Region ◽

Chlorin E6 ◽

Polypropylene Glycol ◽

Polymer Carriers ◽

H Nmr ◽

Line Shape Analysis ◽

Dynamic Methods ◽

Derivatives Of

The encapsulation of five derivatives of chlorin e6 with different hydrophobicity and aggregation properties into a series of five poloxamer-type triblock copolymer micelles (BCMs) with varying numbers of polyethylene and polypropylene glycol (PEG, PPG) units was monitored using 1H NMR spectroscopy. NMR chemical shift and line shape analysis, as well as dynamic methods including diffusion ordered spectroscopy (DOSY) and T1 and T2 relaxation time measurements of the chlorin and the polymer resonances, proved useful to assess the chlorin–BCM compatibility. The poloxamers had high capability to break up aggregates formed by chlorins up to intermediate hydrophobicity. Physically entrapped chlorins were always localized in the BCM core region. The loading capacity correlated with chlorin polarity for all poloxamers among which those with the lowest number of PPG units were most efficient. DOSY data revealed that relatively weakly aggregating chlorins partition between the aqueous bulk and micellar environment whereas more hydrophobic chlorins are well retained in the BCM core region, rendering these systems more stable. T1 and T2 relaxation time measurements indicated that motional freedom in the BCM core region contributes to encapsulation efficiency. The BCM corona dynamics were rather insensitive towards chlorin entrapment except for the poloxamers with short PEG chains. The presented data demonstrate that 1H NMR spectroscopy is a powerful complementary tool for probing the compatibility of porphyrinic compounds with polymeric carriers such as poloxamer BCMs, which is a prerequisite in the development of stable and highly efficient drug delivery systems suitable for medical applications like photodynamic therapy of tumors.

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