NMR techniques in biomedical and pharmaceutical analysis

Malet‐Martino, M. C.; Holzgrabe, Ulrike

doi:10.1016/j.jpba.2010.12.023

Cited by 111 publications

(77 citation statements)

References 130 publications

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“…The human metabolome is a reflection of the interaction between genes and the environment, and studies relating metabolomic profiles with kidney function may enhance our understanding of the physiology and pathophysiology underlying development and progression of CKD (13)(14)(15). Untargeted metabolomic technologies combining the separation of molecules by size and chemical characteristics with sensitive and quantitative detection provide an unbiased method to simultaneously assay a large number of metabolites in a sample (16). These technologies create an opportunity to investigate both the effect of kidney function on the metabolome and the ability of metabolomic measures to predict the onset of incident CKD (17).…”

Section: Introductionmentioning

confidence: 99%

Serum Metabolomic Profiling and Incident CKD among African Americans

Zheng

Nettleton

et al. 2014

Clinical Journal of the American Society of Nephrology

101

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Background and objectives Novel biomarkers that more accurately reflect kidney function and predict future CKD are needed. The human metabolome is the product of multiple physiologic or pathophysiologic processes and may provide novel insight into disease etiology and progression. This study investigated whether estimated kidney function would be associated with multiple metabolites and whether selected metabolomic factors would be independent risk factors for incident CKD.Design, setting, participants, & measurements In total, 1921 African Americans free of CKD with a median of 19.6 years follow-up among the Atherosclerosis Risk in Communities Study were included. A total of 204 serum metabolites quantified by untargeted gas chromatography-mass spectrometry and liquid chromatographymass spectrometry was analyzed by both linear regression for the cross-sectional associations with eGFR (specified by the Chronic Kidney Disease Epidemiology Collaboration equation) and Cox proportional hazards model for the longitudinal associations with incident CKD.Results Forty named and 34 unnamed metabolites were found to be associated with eGFR specified by the Chronic Kidney Disease Epidemiology Collaboration equation with creatine and 3-indoxyl sulfate showing the strongest positive (2.8 ml/min per 1.73 m 2 per +1 SD; 95% confidence interval, 2.1 to 3.5) and negative association (214.2 ml/min per 1.73 m 2 per +1 SD; 95% confidence interval, 217.0 to 211.3), respectively. Two hundred four incident CKD events with a median follow-up time of 19.6 years were included in the survival analyses. Higher levels of 5-oxoproline (hazard ratio, 0.70; 95% confidence interval, 0.60 to 0.82) and 1,5-anhydroglucitol (hazard ratio, 0.68; 95% confidence interval, 0.58 to 0.80) were significantly related to lower risk of incident CKD, and the associations did not appreciably change when mutually adjusted.Conclusions These data identify a large number of metabolites associated with kidney function as well as two metabolites that are candidate risk factors for CKD and may provide new insights into CKD biomarker identification.

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Section: Introductionmentioning

confidence: 99%

Serum Metabolomic Profiling and Incident CKD among African Americans

Zheng

Nettleton

et al. 2014

Clinical Journal of the American Society of Nephrology

101

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“…Furthermore, some interesting abilities of cyclodextrins, such as permeability enhancer, could be evaluated by quantifying cyclodextrin content before and after their passage through a cell layer (Matilainen et al, 2008). Since Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most widely used techniques for understanding the interaction between CD and guest compounds (Bertholet et al, 2005;Higashi et al, 2009;Lis-Cieplak et al, 2014;Malet-Martino and Holzgrabe, 2011;Schneider et al, 1998;Vogt and Strohmeier, 2012;Yang et al, 2009) and to evaluate the number of substituted glucopyranose units (molar substitution), we aim to apply 1 H nuclear magnetic resonance spectroscopy ( 1 H NMR) to quantify 2-HP-b-CD in pharmaceutical solutions. Under controlled conditions, 1 H NMR spectroscopy is considered as quantitative given that the intensity of a signal is directly related to the amount of resonant nuclei (Holzgrabe et al, 2005).…”

Section: Introductionmentioning

confidence: 99%

Rapid quantification of 2-hydroxypropyl-β-cyclodextrin in liquid pharmaceutical formulations by 1H nuclear magnetic resonance spectroscopy

Dufour

Évrard

Tullio

2015

European Journal of Pharmaceutical Sciences

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a b s t r a c tQuantification of 2-hydroxypropyl-b-cyclodextrin (2-HP-b-CD) is not yet described in United States Pharmacopeia (USP) and European Pharmacopeia (EP). A useful quality control tool is therefore needed for the specific quantification in finished liquid pharmaceutical products, especially for formulations containing 2-HP-b-CD as an active ingredient. A new technique is also mandatory for the development of future formulations in which 2-HP-b-CD concentration could influence the properties of these formulations. Here, we described the use of 1 H NMR for the rapid quantification of 2-HP-b-CD directly into pharmaceutical solutions without any extraction or separation steps. This technique was successfully applied to different pharmaceutical solutions comprising an i.v. solution (budesonide/2-HP-b-CD complex), an eye drop solution (Indocollyre Ò ) and an oral solution (Sporanox Ò ). Specificity, linearity, precision (repeatability and intermediate precision), trueness, limits of quantification (LOQs) and accuracy were used as validation criteria.

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“…Recent advances in metabolomics offer us a chance to identify changes in the concentration of small endogenous metabolites in biological samples caused by drug therapy. Metabolomics refers to the total metabolites present in biofluids (e.g., blood and urine) and chemometric techniques combining 1 H nuclear magnetic resonance ( 1 H NMR) has been applied for metabolomic profiling and characterization of individually tailored therapeutic approaches (11,12). Various studies have been performed to identify the major factors predicting the response to MTX therapy in RA based on the traditional method through evaluating the concentration of MTX-PGs (13).…”

Section: Introductionmentioning

confidence: 99%

1H NMR-based metabolomic analysis for identifying serum biomarkers to evaluate methotrexate treatment in patients with early rheumatoid arthritis

Wang

Chen

Yang

et al. 2012

Experimental and Therapeutic Medicine

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Abstract. To identify the major serum biomarkers predicting the response to methotrexate (MTX) treatment in patients with early rheumatoid arthritis (RA), we evaluated the relationships between the individual response to MTX and various associated factors utilizing the 1 H nuclear magnetic resonance ( 1 H NMR)-based metabolomic method. Thirty-eight early RA patients were enrolled in this cohort study, and they received MTX (10 mg/week) orally as monotherapy for 24 weeks. According to the American College of Rheumatology criteria for improvement, clinical evaluation following MTX treatment was carried out at baseline and at the end of 24 weeks. Furthermore, collected serum samples were analyzed using 600 M 1 H NMR for spectral binning. The obtained data were processed by both the unsupervised principal component analysis (PCA) and the supervised partial least squares discriminant analysis (PLS-DA). Lastly, multivariate analyses were performed to recognize the spectral pattern of endogenous metabolites related to MTX treatment. Differential clustering of 1 H NMR spectra identified by PCA was found between the effective (n=25) and non-effective (n=13) group of RA patients receiving MTX treatment. Multivariate statistical analysis showed a difference in metabolic profiles between the two groups using PLS-DA (R 2 =0.802, Q 2 =0.643). In targeted profiling, 11 endogenous metabolites of the effective group showed a significant difference when compared with those of the non-effective group (p<0.05). Serum metabolites correlated with MTX treatment in patients with early RA were identified, which may be the major predictive factors for evaluating the response to MTX treatment in patients with early RA. Furthermore, our results highlight the usefulness of 1 H NMR-based metabolomics as a feasible and efficient prognostic tool for predicting therapeutic efficacy to MTX treatment. IntroductionRheumatoid arthritis (RA) is a systemic chronic inflammatory joint disease, which is characterized by persistent synovitis, systemic inflammation and autoantibodies (1). Methotrexate (MTX) is the most widely used and is regarded as the anchor drug in the treatment of RA. Despite the advent of newer biologic therapies, MTX retains its central role since it is relatively inexpensive, broad experience with its use exists, and it is widely used in combination regimens with other disease-modifying antirheumatic drugs (DMARDs) (2). In the US and European countries, the recommended general dose of MTX is 15-20 mg/week, but individual optimal dose is in the range of 5-25 mg/week. In China, the conventional dose of MTX is 10 mg/week, but in practice 5-20 mg/week is prescribed based on individual sensitivity to and tolerance of MTX (3,4). Although well proven, it is recognized that there are large individual differences in the optimal dose of MTX for RA patients (5). The reasons for those individual differences are thought to be different concentrations of intracellular MTX-polyglutamates (MTX-PGs) and different enzyme activities at MTX-active sit...

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NMR techniques in biomedical and pharmaceutical analysis

Cited by 111 publications

References 130 publications

Serum Metabolomic Profiling and Incident CKD among African Americans

Serum Metabolomic Profiling and Incident CKD among African Americans

Rapid quantification of 2-hydroxypropyl-β-cyclodextrin in liquid pharmaceutical formulations by 1H nuclear magnetic resonance spectroscopy

1H NMR-based metabolomic analysis for identifying serum biomarkers to evaluate methotrexate treatment in patients with early rheumatoid arthritis

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