Structures of toxic constituents in kraft mill caustic extraction effluents from 13C and 1H nuclear magnetic resonance

1977 ◽  
Vol 55 (18) ◽  
pp. 3298-3303 ◽  
Author(s):  
A. N. Thakore ◽  
A. C. Oehlschlager
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Nmr Spectroscopy ◽  
Magnetic Resonance ◽  
H Nmr ◽  
1H Nuclear Magnetic Resonance ◽  
Kraft Mill ◽  
Nuclear Magnetic

Arguments based on 13C and 1H nmr spectroscopy are presented to elucidate the structures of 3,4,5- and 4,5,6-trichloroguaiacol, 12- and 14-monochlorodehydroabietic acid, and 12,14-dichlorodehydroabietic acid. These compounds were recently isolated and tentatively identified as major components toxic to fish in kraft mill caustic extraction effluents.

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

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.

Serum analysis by1H Nuclear Magnetic Resonance spectroscopy: a new tool for distinguishing neuromyelitis optica from multiple sclerosis

2013 ◽  
Vol 20 (5) ◽  
pp. 558-565 ◽  
Author(s):  
F-M Moussallieh ◽  
K Elbayed ◽  
JB Chanson ◽  
G Rudolf ◽  
M Piotto ◽  
...  
Keyword(s):  
Multiple Sclerosis ◽  
Nuclear Magnetic Resonance ◽  
Nmr Spectroscopy ◽  
Magnetic Resonance ◽  
Neuromyelitis Optica ◽  
Demyelinating Diseases ◽  
Proton Nuclear Magnetic Resonance ◽  
Resonance Spectroscopy ◽  
H Nmr ◽  
Nuclear Magnetic

Background:Neuromyelitis optica (NMO) and multiple sclerosis (MS), two inflammatory demyelinating diseases, are characterized by different therapeutic strategies. Currently, the only biological diagnostic tool available to distinguish NMO from MS is the specific serum autoantibody that targets aquaporin 4, but its sensitivity is low.Objective:To assess the diagnostic accuracy of metabolomic biomarker profiles in these two neurological conditions, compared to control patients.Methods:We acquired serum spectra (47 MS, 44 NMO and 42 controls) using proton nuclear magnetic resonance (1H-NMR) spectroscopy. We used multivariate pattern recognition analysis to identify disease-specific metabolic profiles.Results:The1H-NMR spectroscopic analysis evidenced two metabolites, originating probably from astrocytes, scyllo-inositol and acetate, as promising serum biomarkers of MS and NMO, respectively. In 87.8% of MS patients, scyllo-inositol increased 0.15 to 3-fold, compared to controls and in 74.3% of NMO patients, acetate increased 0.4 to 7-fold, compared to controls. Using these two metabolites simultaneously, we can discriminate MS versus NMO patients (sensitivity, 94.3%; specificity, 90.2%).Conclusion:This study demonstrates the potential of1H-NMR spectroscopy of serum as a novel, promising analytical tool to discriminate populations of patients affected by NMO or MS.

scholarly journals Epimerization Studies of LSD Using 1H Nuclear Magnetic Resonance (NMR) Spectroscopy

1997 ◽  
Vol 21 (6) ◽  
pp. 492-497 ◽  
Author(s):  
S. J. Salamone ◽  
Z. Li ◽  
A. J. McNally ◽  
S. Vitone ◽  
R. S. Wu
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Nmr Spectroscopy ◽  
Magnetic Resonance ◽  
1H Nuclear Magnetic Resonance ◽  
Nuclear Magnetic

scholarly journals Metabolomics comparison of rumen fluid and milk in dairy cattle using proton nuclear magnetic resonance spectroscopy

2021 ◽  
Vol 34 (2) ◽  
pp. 213-222
Author(s):  
Jun Sik Eom ◽  
Eun Tae Kim ◽  
Hyun Sang Kim ◽  
You Young Choi ◽  
Shin Ja Lee ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Nmr Spectroscopy ◽  
Magnetic Resonance ◽  
Dairy Cattle ◽  
Metabolic Diseases ◽  
Rumen Fluid ◽  
Proton Nuclear Magnetic Resonance ◽  
Resonance Spectroscopy ◽  
H Nmr ◽  
Nuclear Magnetic

Objective: The metabolites that constitute the rumen fluid and milk in dairy cattle were analyzed using proton nuclear magnetic resonance (<sup>1</sup>H-NMR) spectroscopy and compared with the results obtain for other dairy cattle herds worldwide. The aim was to provide basic dataset for facilitating research on metabolites in rumen fluid and milk.Methods: Six dairy cattle were used in this study. Rumen fluid was collected using a stomach tube, and milk was collected using a pipeline milking system. The metabolites were determined by <sup>1</sup>H-NMR spectroscopy, and the obtained data were statistically analyzed by principal component analysis, partial least squares discriminant analysis, variable importance in projection scores, and metabolic pathway data using Metaboanalyst 4.0.Results: The total numbers of metabolites in rumen fluid and milk were measured to be 186 and 184, and quantified as 72 and 109, respectively. Organic acid and carbohydrate metabolites exhibited the highest concentrations in rumen fluid and milk, respectively. Some metabolites that have been associated with metabolic diseases (acidosis and ketosis) in cows were identified in rumen fluid, and metabolites associated with ketosis, somatic cell production, and coagulation properties were identified in milk.Conclusion: The metabolites measured in rumen fluid and milk could potentially be used to detect metabolic diseases and evaluate milk quality. The results could also be useful for metabolomic research on the biofluids of ruminants in Korea, while facilitating their metabolic research.

scholarly journals Intracellular Metabolites in Rat Muscle following Trauma: A 31P and 1H Nuclear Magnetic Resonance Study

1987 ◽  
Vol 80 (8) ◽  
pp. 495-498 ◽  
Author(s):  
D B Sprague ◽  
D G Gadian ◽  
S R Williams ◽  
E Proctor ◽  
A W Goode
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Nmr Spectroscopy ◽  
Magnetic Resonance ◽  
Nuclear Magnetic Resonance Study ◽  
Control Group ◽  
1H Nuclear Magnetic Resonance ◽  
Trauma Model ◽  
Experimental Group ◽  
Nuclear Magnetic

Hind limb skeletal muscle was studied in vivo in a rat trauma model using nuclear magnetic resonance (NMR) spectroscopy. The model used was a 25% body surface area, full-thickness burn administered under anaesthesia. Two groups of six rats were studied. Weight loss was observed in the experimental group whilst the control group continued to gain weight. Concentration ratios involving intramyocellular phosphocreatine (PCr), creatine (Cr), adenosine triphosphate (ATP), inorganic phosphate (Pi), anserine (Ans) and taurine (Tau) were measured. No change in the ratios of PCr/Pi, PCr/ATP, Ans/PCr + Cr and Tau/PCr + Cr were seen between the two groups. Intracellular pH was the same in the two groups. NMR spectroscopy in vivo gives values of Pi and PCr that differ from those obtained by conventional techniques. NMR values are probably more accurate as no degradation occurs during measurement, the measurements being repeatable and noninvasive.

scholarly journals Monitoring Key Reactions in Degradation of Chloroaromatics by In Situ 1H Nuclear Magnetic Resonance: Solution Structures of Metabolites Formed from cis-Dienelactone

2002 ◽  
Vol 184 (5) ◽  
pp. 1466-1470 ◽  
Author(s):  
Dietmar H. Pieper ◽  
Katrin Pollmann ◽  
Patricia Nikodem ◽  
Bernardo Gonzalez ◽  
Victor Wray
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Solution Structure ◽  
Solution Structures ◽  
H Nmr ◽  
Enzymatic Transformation ◽  
1H Nuclear Magnetic Resonance ◽  
Resonance Solution ◽  
Dienelactone Hydrolase ◽  
Nuclear Magnetic

ABSTRACT A 1H nuclear magnetic resonance (1H NMR) assay was used to study the enzymatic transformation of cis-dienelactone, a central intermediate in the degradation of chloroaromatics. It was shown that the product of the cis-dienelactone hydrolase reaction is maleylacetate, in which there is no evidence for the formation of 3-hydroxymuconate. Under acidic conditions, the product structure was 4-carboxymethyl-4-hydroxybut-2-en-4-olide. Maleylacetate was transformed by maleylacetate reductase into 3-oxoadipate, a reaction competing with spontaneous decarboxylation into cis-acetylacrylate. One-dimensional 1H NMR in 1H2O could thus be shown to be an excellent noninvasive tool for monitoring enzyme activities and assessing the solution structure of substrates and products.

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