Metabolic consequences of sepsis-induced acute lung injury revealed by plasma 1H-nuclear magnetic resonance quantitative metabolomics and computational analysis

Metabolomics is an emerging component of systems biology that may be a viable strategy for the identification and validation of physiologically relevant biomarkers. Nuclear magnetic resonance (NMR) spectroscopy allows for establishing quantitative data sets for multiple endogenous metabolites without preconception. Sepsis-induced acute lung injury (ALI) is a complex and serious illness associated with high morbidity and mortality for which there is presently no effective pharmacotherapy. The goal of this study was to apply 1H-NMR based quantitative metabolomics with subsequent computational analysis to begin working towards elucidating the plasma metabolic changes associated with sepsis-induced ALI. To this end, this pilot study generated quantitative data sets that revealed differences between patients with ALI and healthy subjects in the level of the following metabolites: total glutathione, adenosine, phosphatidylserine, and sphingomyelin. Moreover, myoinositol levels were associated with acute physiology scores (APS) (ρ = −0.53, P = 0.05, q = 0.25) and ventilator-free days (ρ = −0.73, P = 0.005, q = 0.01). There was also an association between total glutathione and APS (ρ = 0.56, P = 0.04, q = 0.25). Computational network analysis revealed a distinct metabolic pathway for each metabolite. In summary, this pilot study demonstrated the feasibility of plasma 1H-NMR quantitative metabolomics because it yielded a physiologically relevant metabolite data set that distinguished sepsis-induced ALI from health. In addition, it justifies the continued study of this approach to determine whether sepsis-induced ALI has a distinct metabolic phenotype and whether there are predictive biomarkers of severity and outcome in these patients.

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Metabolic effects of albumin therapy in acute lung injury measured by proton nuclear magnetic resonance spectroscopy of plasma: A pilot study*

Critical Care Medicine ◽

10.1097/ccm.0b013e31822571ce ◽

2011 ◽

Vol 39 (10) ◽

pp. 2308-2313 ◽

Cited By ~ 8

Author(s):

Youngja Park ◽

Dean P. Jones ◽

Thomas R. Ziegler ◽

Kichun Lee ◽

Kavitha Kotha ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Acute Lung Injury ◽

Pilot Study ◽

Magnetic Resonance ◽

Magnetic Resonance Spectroscopy ◽

Lung Injury ◽

Metabolic Effects ◽

Proton Nuclear Magnetic Resonance ◽

Resonance Spectroscopy ◽

Albumin Therapy

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Anesthetic-membrane interaction: A 2H nuclear magnetic resonance study of the binding of specifically deuterated tetracaine and procaine to phosphatidylcholine

Canadian Journal of Biochemistry and Cell Biology ◽

10.1139/o84-025 ◽

1984 ◽

Vol 62 (2-3) ◽

pp. 178-184 ◽

Cited By ~ 35

Author(s):

Eric C. Kelusky ◽

Ian C. P. Smith

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Local Anesthetics ◽

Nuclear Magnetic Resonance Study ◽

Weakly Bound ◽

Slow Exchange ◽

H Nmr ◽

Line Shapes ◽

Acyl Chains ◽

Nuclear Magnetic

The binding of the local anesthetics tetracaine and procaine with multilamellar dispersions of egg phosphatidylcholine has been studied by 2H nuclear magnetic resonance (NMR). The 2H-NMR line shapes of specifically deuterated local anesthetics are found to be very dependent on the attainment of a true equilibrium. The equilibrium could be most properly reached by the use of repeated freeze–thaw–vortex cycles. The data for tetracaine are consistent with the three-site exchange model proposed earlier. Tetracaine is in slow exchange between a strongly bound site and a weakly bound site and in fast exchange between the weakly bound site and free in solution. The slow exchange rate is estimated, from temperature and dilution studies, to be approximately 1.5 × 103 s−1 at pH 5.5 and slightly faster at pH 9.5. Comparisons of the quadrupole splittings with those seen for our earlier work in egg phosphatidylethanolamine suggest that the location of the strongly bound site in phosphatidylcholine is dependent on the anesthetic charge. This is in contrast to egg phosphatidylethanolamine, where molecular shapes appear to be the determining factor for the location of the anesthetic. Procaine bound very weakly to the model membranes, to yield only a broad resonance and no quadrupole splitting. It appears that procaine, unlike tetracaine, is not bound by the ordered acyl chains.

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A 19F nuclear magnetic resonance study of the conjugate Brönsted-Lewis superacid HSO3F-SbF5. Part 1

Canadian Journal of Chemistry ◽

10.1139/v99-182 ◽

1999 ◽

Vol 77 (11) ◽

pp. 1869-1886 ◽

Cited By ~ 7

Author(s):

Dingliang Zhang ◽

Markus Heubes ◽

Gerhard Hägele ◽

Friedhelm Aubke

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Nmr Spectra ◽

Nuclear Magnetic Resonance Study ◽

Magnetic Resonance Study ◽

Formation Reaction ◽

H Nmr ◽

Acid Conjugate ◽

Nmr Methods ◽

Cis And Trans

The Brönsted-Lewis superacid HSO3F-SbF5 or "magic acid" is re-investigated by modern 19F NMR methods over a wide concentration range. The system is found to be considerably more complex than had been assumed previously. A total of 13 different anions are identified of which only five have previously been identified in magic acid. With increasing SbF5 contents the concentration of monomeric anions like [SbF6]-, [SbF5(SO3F)]-, cis- and trans-[SbF4(SO3F)2]-, and mer-[SbF3(SO3F)3]- gradually decreases. Except for [Sb2F11]-, which is present in very small concentrations only, the formation of oligomers involves exclusively μ-fluorosulfato bridges. In addition to donor (SO3F)- and acceptor (SbF5) complex formation to give [SbF5(SO3F)]- and possibly ligand redistribution, the solvolysis of SbF5 or SbF4(SO3F) in HSO3F appears to be the principal formation reaction for polyfluorosulfatofluoroantimonate(V) anions. In glass (NMR tubes) the solvolysis product HF is converted to the oxonium ion [H3O]+, which has previously been identified by 1H NMR and structurally characterized as [H3O][Sb2F11] by us.Key words: magic acid, conjugate superacid, fluorosulfuric acid, 19F NMR spectra.

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Structural Characterization of Amadori Rearrangement Product of Glucosylated Nα-Acetyl-Lysine by Nuclear Magnetic Resonance Spectroscopy

International Journal of Spectroscopy ◽

10.1155/2014/789356 ◽

2014 ◽

Vol 2014 ◽

pp. 1-6 ◽

Cited By ~ 3

Author(s):

Chuanjiang Li ◽

Hui Wang ◽

Manuel Juárez ◽

Eric Dongliang Ruan

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Maillard Reaction ◽

Structural Characterization ◽

Resonance Spectroscopy ◽

H Nmr ◽

Amadori Rearrangement ◽

C Nmr ◽

Nuclear Magnetic

Maillard reaction is a nonenzymatic reaction between reducing sugars and free amino acid moieties, which is known as one of the most important modifications in food science. It is essential to characterize the structure of Amadori rearrangement products (ARPs) formed in the early stage of Maillard reaction. In the present study, the Nα-acetyl-lysine-glucose model had been successfully set up to produce ARP, Nα-acetyl-lysine-glucose. After HPLC purification, ARP had been identified by ESI-MS with intense [M+H]+ ion at 351 m/z and the purity of ARP was confirmed to be over 90% by the relative intensity of [M+H]+ ion. Further structural characterization of the ARP was accomplished by using nuclear magnetic resonance (NMR) spectroscopy, including 1D 1H NMR and 13C NMR, the distortionless enhancement by polarization transfer (DEPT-135) and 2D 1H-1H and 13C-1H correlation spectroscopy (COSY) and 2D nuclear overhauser enhancement spectroscopy (NOESY). The complexity of 1D 1H NMR and 13C NMR was observed due to the presence of isomers in glucose moiety of ARP. However, DEPT-135 and 2D NMR techniques provided more structural information to assign the 1H and 13C resonances of ARP. 2D NOESY had successfully confirmed the glycosylated site between 10-N in Nα-acetyl-lysine and 7′-C in glucose.

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Lactose quantification in bovine milk by nuclear magnetic resonance without deuterated solvent (No-D qNMR)

Analytical Methods ◽

10.1039/d0ay01268h ◽

2020 ◽

Vol 12 (40) ◽

pp. 4892-4898

Author(s):

Danyelle Alves da Cunha ◽

Thays Cardoso Valim ◽

Paulo Roberto Filgueiras ◽

Valdemar Lacerda Junior ◽

Alvaro Cunha Neto

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Bovine Milk ◽

Nmr Analysis ◽

H Nmr ◽

Nuclear Magnetic

Validation of a method to quantify low lactose content in commercial lactose-free milk by 1H NMR analysis.

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Fourier Transform Infrared Spectral Analysis of Polyisoprene of a Different Microstructure

International Journal of Polymer Science ◽

10.1155/2013/937284 ◽

2013 ◽

Vol 2013 ◽

pp. 1-5 ◽

Cited By ~ 16

Author(s):

Dongmei Chen ◽

Huafeng Shao ◽

Wei Yao ◽

Baochen Huang

Keyword(s):

Nuclear Magnetic Resonance ◽

Spectral Analysis ◽

Fourier Transform ◽

Magnetic Resonance ◽

Detailed Analysis ◽

Fourier Transform Infrared ◽

Ftir Spectra ◽

H Nmr ◽

Infrared Spectral

Some polyisoprene samples of different microstructure contents were studied by Fourier transform infrared (FTIR) and1H Nuclear magnetic resonance (1H NMR). On the basis of detailed analysis of FTIR spectra of polyisoprene, the shift of absorption peaks caused by microstructure content’s variation was discussed. The contents of the polyisoprene samples’ microstructure which was determined by the1H NMR was used as the standard. Through the choice, calculation, and comparison with the corresponding absorption peaks of FTIR, a method based on the results of the analysis has been developed for the determination of the microstructure contents of polyisoprene by FTIR.

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Proton Nuclear Magnetic Resonance Metabolomics Corroborates Serine Hydroxymethyltransferase as the Primary Target of 2-Aminoacrylate in a ridA Mutant of Salmonella enterica

mSystems ◽

10.1128/msystems.00843-19 ◽

2020 ◽

Vol 5 (2) ◽

Cited By ~ 2

Author(s):

Andrew J. Borchert ◽

Goncalo J. Gouveia ◽

Arthur S. Edison ◽

Diana M. Downs

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Metabolic Stress ◽

Metabolic Changes ◽

Serine Hydroxymethyltransferase ◽

Proton Nuclear Magnetic Resonance ◽

Growth Defect ◽

Nutrient Supplementation ◽

Content Type ◽

H Nmr

ABSTRACT The reactive intermediate deaminase RidA (EC 3.5.99.10) is conserved across all domains of life and deaminates reactive enamine species. When Salmonella enterica ridA mutants are grown in minimal medium, 2-aminoacrylate (2AA) accumulates, damages several pyridoxal 5′-phosphate (PLP)-dependent enzymes, and elicits an observable growth defect. Genetic studies suggested that damage to serine hydroxymethyltransferase (GlyA), and the resultant depletion of 5,10-methelenetetrahydrofolate (5,10-mTHF), was responsible for the observed growth defect. However, the downstream metabolic consequence from GlyA damage by 2AA remains relatively unexplored. This study sought to use untargeted proton nuclear magnetic resonance (1H NMR) metabolomics to determine whether the metabolic state of an S. enterica ridA mutant was accurately reflected by characterizing growth phenotypes. The data supported the conclusion that metabolic changes in a ridA mutant were due to the IlvA-dependent generation of 2AA, and that the majority of these changes were a consequence of damage to GlyA. While many of the metabolic differences for a ridA mutant could be explained, changes in some metabolites were not easily modeled, suggesting that additional levels of metabolic complexity remain to be unraveled. IMPORTANCE The accumulation of the reactive enamine intermediate 2-aminoacrylate (2AA) elicits global metabolic stress in many prokaryotes and eukaryotes by simultaneously damaging multiple pyridoxal 5′-phosphate (PLP)-dependent enzymes. This work employed 1H NMR to expand our understanding of the consequence(s) of 2AA stress on metabolite pools and effectively identify the metabolic changes stemming from one damaged target: GlyA. This study shows that nutrient supplementation during 1H NMR metabolomics experiments can disentangle complex metabolic outcomes stemming from a general metabolic stress. Metabolomics shows great potential to complement classical reductionist approaches to cost-effectively accelerate the rate of progress in expanding our global understanding of metabolic network structure and physiology. To that end, this work demonstrates the utility in implementing nutrient supplementation and genetic perturbation into metabolomics workflows as a means to connect metabolic outputs to physiological phenomena and establish causal relationships.

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Correlations between Proton Nuclear Magnetic Resonance Imaging and Retrospective Histochemical Images in Experimental Cerebral Infarction

Journal of Cerebral Blood Flow & Metabolism ◽

10.1038/jcbfm.1985.34 ◽

1985 ◽

Vol 5 (2) ◽

pp. 267-274 ◽

Cited By ~ 31

Author(s):

Hiroyuki Kato ◽

Kyuya Kogure ◽

Hitoshi Ohtomo ◽

Muneshige Tobita ◽

Shigeru Matsui ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Spin Echo ◽

Proton Nuclear Magnetic Resonance ◽

Nmr Imaging ◽

Resonance Imaging ◽

H Nmr ◽

Experimental Cerebral Infarction ◽

Nuclear Magnetic

Evaluation of ischemic brain injury in experimental cerebral infarction in gerbils and rats was performed by means of both proton nuclear magnetic resonance imaging ([1H]NMR-CT) and various histochemical analyses. In vivo nuclear magnetic resonance (NMR) imaging was carried out employing saturation recovery, inversion recovery, and spin echo pulse sequences. Spatial resolution of the images was excellent. The ischemic lesions were detected with a remarkable contrast in inversion recovery and spin echo images within a few hours after insult. Those changes in NMR images consistently corresponded with the various retrospective histochemical observations, especially with methods related to brain edema (K+ staining) rather than structural (enzymatic) studies. Calculated T1 and T2 relaxation times indicated the evolution of the edema state in the brain in situ. They correlated excellently with the retrospective water content measurement. As a result, detailed characterization of the edema state induced by cerebral ischemia was possible in vivo using [1H]NMR imaging.

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Comparison of Attenuated Total Reflectance Mid-Infrared, Near Infrared, and 1H-Nuclear Magnetic Resonance Spectroscopies for the Determination of Coffee’s Geographical Origin

International Journal of Analytical Chemistry ◽

10.1155/2017/7210463 ◽

2017 ◽

Vol 2017 ◽

pp. 1-8 ◽

Cited By ~ 10

Author(s):

Jessica Medina ◽

Diana Caro Rodríguez ◽

Victoria A. Arana ◽

Andrés Bernal ◽

Pierre Esseiva ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Near Infrared ◽

Geographical Origin ◽

Fraud Detection ◽

Attenuated Total Reflectance ◽

Mid Infrared ◽

Total Reflectance ◽

H Nmr

The sensorial properties of Colombian coffee are renowned worldwide, which is reflected in its market value. This raises the threat of fraud by adulteration using coffee grains from other countries, thus creating a demand for robust and cost-effective methods for the determination of geographical origin of coffee samples. Spectroscopic techniques such as Nuclear Magnetic Resonance (NMR), near infrared (NIR), and mid-infrared (mIR) have arisen as strong candidates for the task. Although a body of work exists that reports on their individual performances, a faithful comparison has not been established yet. We evaluated the performance of 1H-NMR, Attenuated Total Reflectance mIR (ATR-mIR), and NIR applied to fraud detection in Colombian coffee. For each technique, we built classification models for discrimination by species (C. arabica versus C. canephora (or robusta)) and by origin (Colombia versus other C. arabica) using a common set of coffee samples. All techniques successfully discriminated samples by species, as expected. Regarding origin determination, ATR-mIR and 1H-NMR showed comparable capacity to discriminate Colombian coffee samples, while NIR fell short by comparison. In conclusion, ATR-mIR, a less common technique in the field of coffee adulteration and fraud detection, emerges as a strong candidate, faster and with lower cost compared to 1H-NMR and more discriminating compared to NIR.

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