4,4-Dimethyl-4-silapentane-1-ammonium trifluoroacetate (DSA), a promising universal internal standard for NMR-based metabolic profiling studies of biofluids, including blood plasma and serum

Alum, Mohammed F.; Shaw, Patricia; Sweatman, Brian C.; Ubhi, Baljit K.; Haselden, John N.; Connor, Susan C.

doi:10.1007/s11306-008-0103-9

Cited by 52 publications

(33 citation statements)

References 21 publications

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“…The identification of compounds was made based on one-and two-dimensional JRES spectra, analysis Human Metabolites Database (HMDB) [3] and R. Bartona papers [9]. Because chemical shifts in HMDB database are referred to DSS (2,2-dimetylo-2-silapentano-5-sulfonowego), spectra with TSP needed 0.016 ppm correction for signals [10]. Identified compounds were confirmed in 1 H NMR and COSY spectra.…”

Section: Methodsmentioning

confidence: 99%

Preliminary Study on J-Resolved NMR Method Usability for Toxic Kidney's Injury Assessment

Doskocz¹,

Marchewka²,

Jeż³

et al. 2015

Adv Clin Exp Med

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Background. Nowadays, the Nuclear Magnetic Resonance (NMR) techniques are tested for metabolomic urine profile in order to detect early damage of kidney. Objectives. The purpose of this investigation was the initial assessment of two-dimensional J-resolved NMR urine spectra analysis usability for early kidney injuries detection. The amino acids (AA) and acids profile change after the exposure to nephrotoxic agent (the cisplatin infusion) was examined. Material and Methods. The material was the urine of patients with non-small-cell lung cancer, treated with cisplatin in Pulmonology and Lung Cancers Clinic in Wrocław. The urine of healthy volunteers was also examined. The identification of metabolites in urine was based on two-dimensional JRES signals in spectra, described in Human Metabolites Database (HMD). The molar concentration of metabolites was calculated from the volume under the signals. The analysis was focused on amino acids and organic acids (lactid acid and pyruvic acid) profiles. Results. Any specific amino acids were identified after cisplatin infusion in comparison to the state before infusion. However, the differences in concentration were observed over 2-fold increase in valine, isoleucine and leucine, over 3-fold in alanine. Also, the concentration of pyruvic and lactic acids increased significantly (p ≤ 0.05, p ≤ 0.01). Conclusions. There were no specific amino acids identified in response to the infusion of cisplatin; however, some changes in the concentrations of amino acids and other small molecules were found. The analysis of two-dimensional JRES spectra showed an increase of alanine, leucine, isoleucine and valine concentration after the application of cisplatin. It seems that it is worth developing the JRES method based on special computer program (Adv Clin Exp Med 2015, 24, 4, 629-635).

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Section: Methodsmentioning

confidence: 99%

Preliminary Study on J-Resolved NMR Method Usability for Toxic Kidney's Injury Assessment

Doskocz¹,

Marchewka²,

Jeż³

et al. 2015

Adv Clin Exp Med

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“…The HOD residual signal was suppressed by applying the first increment of the nuclear Overhauser effect spectroscopy (NOESY) pulse sequence and a spoil gradient (33,34). This was done by employing the NOESYGPPR1D sequence, part of the standard pulse sequence library.…”

Section: Methodsmentioning

confidence: 99%

Rifaximin Modulates the Vaginal Microbiome and Metabolome in Women Affected by Bacterial Vaginosis

Laghi

Picone

Cruciani

et al. 2014

Antimicrob Agents Chemother

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Bacterial vaginosis (BV) is a common vaginal disorder characterized by the decrease of lactobacilli and overgrowth of Gardnerella vaginalis and resident anaerobic vaginal bacteria. In the present work, the effects of rifaximin vaginal tablets on vaginal microbiota and metabolome of women affected by BV were investigated by combining quantitative PCR and a metabolomic approach based on 1 H nuclear magnetic resonance. To highlight the general trends of the bacterial communities and metabolomic profiles in response to the antibiotic/placebo therapy, a multivariate statistical strategy was set up based on the trajectories traced by vaginal samples in a principal component analysis space. Our data demonstrated the efficacy of rifaximin in restoring a health-like condition in terms of both bacterial communities and metabolomic features. In particular, rifaximin treatment was significantly associated with an increase in the lactobacillus/BV-related bacteria ratio, as well as with an increase in lactic acid concentration and a decrease of a pool of metabolites typically produced by BV-related bacteria (acetic acid, succinate, shortchain fatty acids, and biogenic amines). Among the tested dosages of rifaximin (100 and 25 mg for 5 days and 100 mg for 2 days), 25 mg for 5 days was found to be the most effective. Bacterial vaginosis (BV) is a complex polymicrobial vaginal disorder associated with an increase in the taxonomic richness and diversity of the vaginal microbiota. BV is microbiologically characterized by replacement of the lactobacillus-predominant vaginal microbiota by potential pathogenic anaerobic bacteria (1, 2). The diagnosis of BV is based on Amsel's criteria (1) and Nugent score determinations (3). The current recommended treatment of BV includes metronidazole (oral or vaginal) or clindamycin (vaginal) (4); however, the short-term (30 days) cure rate is often poor, and recurrences are common (5, 6).Rifaximin is a new candidate for the local treatment of BV thanks to its antibacterial activity, which covers Gardnerella vaginalis and other pathogens responsible for urogenital infections (7,8). Rifaximin is a semisynthetic rifamycin derivative characterized by low systemic absorption and good antibacterial activity. In common with the structural analogue rifampin and other members of the rifamycin class, it acts on the ␤ subunit of the bacterial RNA polymerase to inhibit RNA synthesis (9, 10). Recently, the efficacy of rifaximin vaginal tablets in the treatment of BV was demonstrated by evaluating the rate of clinical remission (11) and the restoration of normal vaginal communities (12) and proteome profiles (13).BV, as well as antibiotics used for the treatment of this disturbance, cause perturbations of the vaginal ecosystem, which are reflected in the overall profile of the metabolites produced by the host-bacterium metaorganism. The study of the comprehensive modifications occurring in the metabolic profiles of living systems actually represents the main field of metabolomics. Metabolomics is, by definitio...

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“…Methodological details for sample preparation and spectral acquisition are provided in the online supplementary material. Spectra were pre-processed using Bruker software (Topspin version 1.3 and Amix version 3.7.10; Bruker BioSpin, Karlsruhe, Germany) using a 0.005-ppm bucket width, and referenced and scaled to 4,4-dimethyl-4-silapentane-1-ammoniumtrifluoroacetate [7]. Spectra were assigned using two-dimensional NMR experiments (correlation spectroscopy, total correlation spectroscopy, heteronuclear single-quantum correlation and heteronuclear multiple-bond correlation [8]) and with reference to NMR assignment databases: Chenomx NMR Suite version 4.0 (Chemomx Inc., Edmonton, Canada); Human Metabolome Database (Genome Alberta (Alberta, Canada) and Genome Canada (Ottowa, Canada)); and Biological Magnetic Resonance Bank (BMRB; University of Wisconsin System, Madison, WI, USA) (table S1).…”

Section: Open-profiling Metabolomicsmentioning

confidence: 99%

Metabolic profiling detects biomarkers of protein degradation in COPD patients

et al. 2011

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There is a paucity of biomarkers for chronic obstructive pulmonary disease (COPD). Metabolomics were applied to a defined COPD patient cohort from the ECLIPSE study (Evaluation of COPD Longitudinally to Identify Predictive Surrogate End-points). Results were correlated with accepted biomarkers for the disease.Baseline control serum (n566) and Global Initiative for Chronic Obstructive Lung Disease (GOLD) stage II (n570), III (n564) and IV (n544) COPD patients were analysed by proton nuclear magnetic resonance ( 1 H NMR). Liquid chromatography with tandem mass spectrometry (LC-MS/ MS) was used to confirm amino acid changes detected by 1 H NMR. Data were correlated with body composition, emphysema and systemic inflammation.1 H NMR identified decreased lipoproteins, N,N-dimethylglycine, and increased glutamine, phenylalanine, 3-methylhistidine and ketone bodies in COPD patients with decreased branchedchain amino acids (BCAAs) observed in GOLD stage IV patients. BCAAs, their degradation products, 3-methylhistidine, ketone bodies, and triglycerides were correlated negatively with cachexia and positively with systemic inflammation. Emphysema patients also displayed decreased serum creatine, glycine and N,N-dimethylglycine. LC-MS/MS confirmed 1 H NMR findings relating to BCAAs, glutamine and 3-methylhistidine in GOLD stage IV patients. NMR-based metabolomics characterised COPD patients based on systemic effects and lung function parameters. Increased protein turnover occurred in all COPD patients with increased protein degradation in individuals with emphysema and cachexia.

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4,4-Dimethyl-4-silapentane-1-ammonium trifluoroacetate (DSA), a promising universal internal standard for NMR-based metabolic profiling studies of biofluids, including blood plasma and serum

Cited by 52 publications

References 21 publications

Preliminary Study on J-Resolved NMR Method Usability for Toxic Kidney's Injury Assessment

Preliminary Study on J-Resolved NMR Method Usability for Toxic Kidney's Injury Assessment

Rifaximin Modulates the Vaginal Microbiome and Metabolome in Women Affected by Bacterial Vaginosis

Metabolic profiling detects biomarkers of protein degradation in COPD patients

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