The flexibility, affordability and ease of use of benchtop H NMR spectroscopy makes it potentially very interesting for assessing the quality of wine types and monitoring the fermentation process. However, the low spectral resolution of benchtop H NMR spectroscopy and the complexity of the mixtures hinder the direct quantification of important wine parameters and, thus, prevent its widespread use as an analytical tool in wineries. We show here that these problems can be solved using model-based data processing. In a first step, the accuracy of the new approach was evaluated by analyzing gravimetrically prepared test mixtures representing different fermentation stages. Good agreement was found, demonstrating the reliability of the new method. In a second step, benchtop H NMR spectroscopy combined with model-based data processing was used for the real-time monitoring of real fermentation media. Wine fermentation processes with different feed strategies (batch and fed-batch) were investigated and compared and the evolution of important wine constituents as well as effects caused by the different feeding strategies were monitored, demonstrating the applicability of the new approach also in demanding applications. This opens the way to using benchtop NMR spectroscopy for optimization and decision making in wine production.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1016/j.foodres.2025.115741 | DOI Listing |
J Nat Prod
March 2025
Pharmacognosy Institute and Department of Pharmaceutical Sciences, University of Illinois College of Pharmacy, Chicago, Illinois 60612, United States.
This Perspective seeks to reconnect the current practice of nuclear magnetic resonance (NMR) spectroscopy in chemical structure and quantitative (qNMR) analysis with its roots in classical physics and quantum mechanics (QM). Rationales for this approach are derived from various angles, including focused reviews of the key parameters of the nuclear resonance phenomenon, the structural information richness of NMR spectra, and significant progress in both computational and spectrometer hardware. This provides collective reasoning for the reintegration of computational quantum mechanical spectral analysis (QMSA) into the contemporary practice of NMR spectral interpretation.
View Article and Find Full Text PDFFood Res Int
February 2025
Laboratory of Engineering Thermodynamics (LTD), RPTU Kaiserslautern, Erwin-Schrödinger-Straße 44, 67663 Kaiserslautern, Germany; Laboratory of Advanced Spin Engineering - Magnetic Resonance (LASE-MR), RPTU Kaiserslautern, Gottlieb-Daimler-Straße 76, 67663, Kaiserslautern, Germany. Electronic address:
The flexibility, affordability and ease of use of benchtop H NMR spectroscopy makes it potentially very interesting for assessing the quality of wine types and monitoring the fermentation process. However, the low spectral resolution of benchtop H NMR spectroscopy and the complexity of the mixtures hinder the direct quantification of important wine parameters and, thus, prevent its widespread use as an analytical tool in wineries. We show here that these problems can be solved using model-based data processing.
View Article and Find Full Text PDFAnal Chem
March 2025
Laboratory of Engineering Thermodynamics (LTD), RPTU Kaiserslautern, Erwin-Schrödinger-Straße 44, 67663 Kaiserslautern, Germany.
Benchtop C NMR spectroscopy is highly attractive for reaction and process monitoring. However, insufficient premagnetization and low signal intensities largely prevent its application to flowing liquids. We show that hyperpolarization by Overhauser dynamic nuclear polarization (ODNP) can be used to overcome these problems, as ODNP operates on short time scales and results in strong C signal enhancements.
View Article and Find Full Text PDFACS Polym Au
February 2025
School of Chemical and Process Engineering, University of Leeds, Woodhouse Lane, Leeds LS2 9JT, U.K.
Programmable synthesis of polymer nanoparticles prepared by polymerization-induced self-assembly (PISA) mediated by reversible addition-fragmentation chain-transfer (RAFT) dispersion polymerization with specified diameter is achieved in an automated flow-reactor platform. Real-time particle size and monomer conversion is obtained via inline spatially resolved dynamic light scattering (SRDLS) and benchtop nuclear magnetic resonance (NMR) instrumentation. An initial training experiment generated a relationship between copolymer block length and particle size for the synthesis of poly(,-dimethylacrylamide)--poly(diacetone acrylamide) (PDMAm--PDAAm) nanoparticles.
View Article and Find Full Text PDFACS Catal
February 2025
Department of Chemical and Petroleum Engineering, Center for Environmentally Beneficial Catalysis, and Wonderful Institute for Sustainable Engineering, University of Kansas, Lawrence, Kansas 66045, United States.
Time-domain (TD) nuclear magnetic resonance (NMR) comprises a family of tools for characterizing wetted porosity and surface area, fluid-catalyst surface adsorption energy, liquid distribution in packed beds, and transport of fluids in catalyst materials. These methods are differentiated from NMR spectroscopy in that the data are not analyzed in the frequency domain and often benefit from the use of low magnetic field strength. The increased accessibility of commercial, low-field, benchtop NMR instruments has supported substantial growth in TD NMR research in catalysis.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!