Article
Chemistry, Analytical
Sergio Alejandro Ortiz Restrepo, Alina Adams
Summary: Glycols are important chemicals with various applications, but the presence of water can affect their properties. This study introduces a novel method using low-field Nuclear Magnetic Resonance (NMR) spectroscopy to accurately determine water content in glycols. The method is fast, cost-effective, and does not require reagents or calibration data. Results show that the NMR-based approach can accurately quantify water concentration in ethylene glycol (EG) and triethylene glycol (TEG) mixtures, with high agreement with Karl-Fischer titration results.
Article
Food Science & Technology
Alper Soyler, Sevil Cikrikci, Cagri Cavdaroglu, Dylan Bouillaud, Jonathan Farjon, Patrick Giraudeau, Mecit H. Oztop
Summary: This study investigated the application of benchtop NMR spectroscopy in analyzing milk in an industrial context, focusing on production quality and product differentiation. Through quantitative online NMR spectroscopy, lactose hydrolysis in milk was tracked and different milk samples were successfully differentiated based on their properties.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Organic
Trinadh Kaicharla, Bhavani Shankar Chinta, Thomas R. Hoye
Summary: This article provides examples that demonstrate the value of using properly designed and easily performed doping experiments to gain insights about the nature of analytes in a H-1 NMR sample. By conducting doping experiments on a complex mixture and a simple mixture, multiple compounds were successfully identified, highlighting the advantage of doping experiments over comparing spectra from separate samples containing the same analyte.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Clinical Neurology
Aster V. E. Harder, Lisanne S. Vijfhuizen, Peter Henneman, Ko Willems van Dijk, Cornelia M. van Duijn, Gisela M. Terwindt, Arn M. J. M. van den Maagdenberg
Summary: Using H-1-NMR spectroscopy, this study identified metabolites in serum that can distinguish between lifetime and active migraine patients and controls. Metabolites involved in lipid, glucose, and amino acid metabolism were found to be associated with active migraine status, suggesting potential diagnostic biomarkers for this common brain disorder.
JOURNAL OF HEADACHE AND PAIN
(2021)
Article
Chemistry, Physical
Yu Rao, Amrit Venkatesh, Pinelopi Moutzouri, Lyndon Emsley
Summary: Dynamic nuclear polarization (DNP) is a method to enhance the sensitivity of nuclear magnetic resonance. In this study, we demonstrate the generation of significant H-1 hyperpolarization in solution by implementing steady-state C-13 Overhauser DNP and transferring the polarization to H-1.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Biotechnology & Applied Microbiology
I. P. E. Macario, T. Veloso, J. Romao, F. J. M. Goncalves, J. L. Pereira, I. F. Duarte, S. P. M. Ventura
Summary: This study employed high resolution 1H NMR to screen the metabolic composition of the freshwater cyanobacterium N. muscorum, and detected several interesting metabolites such as sugars, lipids, amino acids, peptides, and pigments. The long-term monitoring provided new insights into the production of these compounds associated with specific moments of the growth of N. muscorum, contributing to the biotechnological exploitation of specific molecules.
ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS
(2022)
Article
Energy & Fuels
Francesco Panattoni, Jonathan Mitchell, Edmund J. Fordham, Ravinath Kausik, Clare P. Grey, Pieter C. M. M. Magusin
Summary: The study utilized high-field, solid-state NMR methods to analyze kerogen isolates of different maturity levels, finding that the aromatic/aliphatic ratio of kerogen increases with maturity. This increase in ratio is reflected in the H-1 MAS NMR spectra by the intensity ratio of aliphatic-to-aromatic signals, suggesting a decrease in kerogen proton density during maturation.
Article
Chemistry, Multidisciplinary
Jin Wook Cha, Xing Jin, Sihyang Jo, Yong Jin An, Sunghyouk Park
Summary: Metabolomic isotopic tracing using NMR can provide valuable flux information for understanding drug mechanisms. The newly developed 2D heteronuclear NMR experiment allows for quantitative analysis of multiplets with high sensitivity and resolution. When applied to an old chemotherapeutic drug, it confirmed conventional mechanisms while also identifying a new metabolic pathway contributing to the drug's broad pharmacological activities.
Article
Biochemistry & Molecular Biology
Silke S. Heinzmann, Melanie Waldenberger, Annette Peters, Philippe Schmitt-Kopplin
Summary: The study utilizes cluster analysis approach to guide peak assignment in NMR spectra via statistical correlations, providing important information for metabolite annotation; Unknown peaks forming hypotheses with known peaks facilitate metabolite identification; Metabolite identification is performed through database search, 2D NMR analysis and standard spiking, increasing identification yield in NMR spectra.
Article
Cardiac & Cardiovascular Systems
Chiara Bruzzone, Ruben Gil-Redondo, Marisa Seco, Rocio Barragan, Laura de la Cruz, Claire Cannet, Hartmut Schaefer, Fang Fang, Tammo Diercks, Maider Bizkarguenaga, Beatriz Gonzalez-Valle, Ana Lain, Arantza Sanz-Parra, Oscar Coltell, Ander Lopez de Letona, Manfred Spraul, Shelly C. Lu, Elisabetta Buguianesi, Nieves Embade, Quentin M. Anstee, Dolores Corella, Jose M. Mato, Oscar Millet
Summary: Metabolic syndrome (MetS) is a complex condition without a clear medical definition. This study used NMR metabolomics to analyze urine samples from a European cohort, revealing a unique molecular signature of MetS. The results showed that MetS progression is associated with specific changes in the urine metabolome, which can be used to identify individuals with MetS and provide insight into the transitional states between healthy individuals and MetS patients.
CARDIOVASCULAR DIABETOLOGY
(2021)
Article
Chemistry, Analytical
Ivica Kopriva, Ivanka Jeric, Marijana Popovic Hadzija, Mirko Hadzija, Marijana Vucic Lovrencic
Summary: The proposed method introduces a library-based approach to quantify proportions of overlapping metabolites from H-1 NMR mixture spectra, addressing the challenge of metabolite concentration analysis. By utilizing the linear non-negative least squares (NNLS) problem, the method successfully made progress in differentiating metabolites that discriminate the T2DM group from the control group.
ANALYTICAL CHEMISTRY
(2021)
Article
Oncology
Fangrong Zhang, Yingchao Wang, Geng Chen, Zhenli Li, Xiaohua Xing, Csilla Putz-Bankuti, Rudolf E. Stauber, Xiaolong Liu, Tobias Madl
Summary: Metabolic reprogramming is a common characteristic of malignancy, including hepatocellular carcinoma (HCC). The study reveals that HCC undergoes global metabolic reprogramming during tumor growth, with metabolic alterations associated with advanced disease stages and poor clinical outcomes. Targeting cancer metabolism can potentially provide effective therapies for HCC while also offering diagnostic and prognostic metabolic biomarkers.
Article
Physiology
Rachelle Bester, Zinandre Stander, Shayne Mason, Karen M. Keane, Glyn Howatson, Tom Clifford, Emma J. Stevenson, Du Toit Loots
Summary: Extreme endurance events can have negative effects on athletes' health and performance, especially without sufficient recovery. This study aimed to understand the metabolic changes during post-marathon recovery and identify biomarkers related to stress, recovery, and adaptation. Using metabolomics, researchers found that several metabolites were significantly affected during recovery, including those related to energy production, gut microbiota, and muscle soreness. Although some metabolic pathways recovered within 48 hours, certain metabolites remained perturbed or fluctuated again after initial recovery.
FRONTIERS IN PHYSIOLOGY
(2023)
Article
Marine & Freshwater Biology
Erik R. Andersson, Rusty D. Day, Thierry M. Work, Paul E. Anderson, Cheryl M. Woodley, Tracey B. Schock
Summary: The study examined the metabolic impacts of Coral growth anomalies (GAs) through H-1 nuclear magnetic resonance (NMR) metabolomics, identifying 18 metabolites and indicating elevated metabolic activity in GA-impacted colonies. There was high variation in metabolomic profiles among coral samples, but features that differed between GA and unaffected samples were identified. Pathway analyses suggested decreased choline oxidation in GA samples, highlighting a pathway of interest for future targeted studies.
Article
Chemistry, Analytical
Panagiota Papaspyridakou, Michail Lykouras, Malvina Orkoula
Summary: “A novel method for the detection and quantification of ethanol and methanol in human urine, saliva, and blood serum using Raman spectroscopy was developed. Calibration curves were created for each alcohol-biological fluid system to determine the detection limits. Methanol had lower detection limits, but were still below intoxication levels, while ethanol had detectable concentrations below permissible limits. Saliva showed the lowest detection limits for both alcohols.”
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
