Publications related to Polymorphs of Theophylline Characterized by DNP Enhanced Solid-State NMR

Related publications (34)

Millisecond-time-scale Controlled Freeze-quench for Solute-intermediate Analysis by Solid-state Nmr

Crystallization is a fundamental process in biomineralization, yet its complexity increases significantly in non-classical pathways of nucleation and growth, where numerous intermediates exist between free ions in solution and the final crystalline phase. ...

ROYAL SOC CHEMISTRY2025

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji

Curcuminoids and their complexes continue to attract attention in medicinal chemistry, but little attention has been given to their metabolic derivatives. Here, the first examples of (arene)Ru(II) complexes with curcuminoid metabolites, tetrahydrocurcumin ...

Amer Chemical Soc2024

The isotopic signature of U(V) during bacterial reduction

Marinella Mazzanti, Rizlan Bernier-Latmani, Radmila Faizova, Ashley Richards Brown, Margaux Camille Andréa Molinas

The two-step electron transfer during bacterial reduction of UVI to UIV is typically accompanied by mass-independent fractionation of the 238U and 235U isotopes, whereby the heavy isotope accumulates in the reduced product. However, the role of the UV inte ...

2024

Organic matters, but inorganic matters too: column examination of elevated mercury sorption on low organic matter aquifer material using concentrations and stable isotope ratios

Lorenz Schwab

Sorption of mercury (Hg) in soils is suggested to be predominantly associated with organic matter (OM). However, there is a growing collection of research that suggests that clay minerals and oxides are also important solid phases for the sorption of solu ...

2024

Optimal sensitivity for 1H detected relayed DNP of organic solids at fast MAS

David Lyndon Emsley, Pierrick Berruyer, Saumya Badoni

Dynamic nuclear polarization (DNP) combined with high magnetic fields and fast magic angle spinning (MAS) has opened up a new avenue for the application of exceptionally sensitive 1H NMR detection schemes to study protonated solids. Recently, it has been s ...

Academic Press Inc - Elsevier Science2024

Diagenetic isotope exchange in biocalcites for paleoclimate reconstruction

Deyanira Graciela Cisneros Lazaro

The oxygen isotope compositions of fossil biocalcites, such as foraminifera, bivalves, brachiopods, and belemnites have allowed for reconstructions of sea surface and deep ocean temperatures throughout the Phanerozoic and constitute the most important reco ...

EPFL2024

Technical note: Two-component electrical-conductivity-based hydrograph separation employing an exponential mixing model (EXPECT) provides reliable high-temporal-resolution young water fraction estimates in three small Swiss catchments

Jana Freiin von Freyberg

The young water fraction represents the portion of water molecules in a stream that have entered the catchment relatively recently, typically within 2-3 months. It can be reliably estimated in spatially heterogeneous and nonstationary catchments from the a ...

Copernicus Gesellschaft Mbh2024

129Xe Dynamic Nuclear Polarization Demystified: The Influence of the Glassing Matrix on the Radical Properties

Emma Linnea Wiström, Rolf Gruetter, Andrea Capozzi, Jean-Noël Hyacinthe, Thanh Phong Kevin Lê

129Xe dissolution dynamic nuclear polarization (DNP) is a controversial topic. The gold standard technique for hyperpolarized xenon magnetic resonance imaging (MRI) is spin exchange optical pumping, which received FDA approval in 2022. Nevertheless, the ve ...

2024

Magic Angle Spinning Solid-State 13C Photochemically Induced Dynamic Nuclear Polarization by a Synthetic Donor-Chromophore-Acceptor System at 9.4 T

David Lyndon Emsley, Michael Allan Hope, Federico De Biasi, Máté Visegrádi

Solid-state photochemically induced dynamic nuclear polarization (photo-CIDNP) is a nuclear magnetic resonance spectroscopy technique in which nuclear spin hyperpolarization is generated upon optical irradiation of an appropriate donor-acceptor system. Unt ...

Amer Chemical Soc2024

High power electrostatic beam splitter for a proton beamline

Hua Zhang, Mike Seidel

The High Intensity Proton Accelerator facility (HIPA) delivers a 590 MeV cw (50.6 MHz) proton beam with up to 1.4 MW beam power (2.4 mA) to spallation and meson production targets serving particle physics experiments and material research. The main acceler ...

2024

Long-lived enhanced magnetization-A practical metabolic MRI contrast material

Andrea Capozzi

Noninvasive tracking of biochemical processes in the body is paramount in diagnostic medicine. Among the leading techniques is spectroscopic magnetic resonance imaging (MRI), which tracks metabolites with an amplified (hyperpolarized) magnetization signal ...

2024

Reliable uncertainties: Error correlation, rotated error bars, and linear regressions in three-isotope plots and beyond

Reto Georg Trappitsch

Correlated errors of experimental data are a common but often neglected problem in physical sciences. Various tools are provided here for thorough propagation of uncertainties in cases of correlated errors. Discussed are techniques especially applicable to ...

ELSEVIER2023

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Clément Marie Soulard

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

EPFL2024

Pure Isotropic Proton NMR Spectra in Solids using Deep Learning

David Lyndon Emsley, Manuel Cordova, Pinelopi Moutzouri, Bruno Simões de Almeida, Daria Torodii

The resolution of proton solid-state NMR spectra is usually limited by broadening arising from dipolar interactions between spins. Magic-angle spinning alleviates this broadening by inducing coherent averaging. However, even the highest spinning rates expe ...

Wiley-VCH Verlag GmbH2023

Two-dimensional Pure Isotropic Proton Solid State NMR

David Lyndon Emsley, Manuel Cordova, Pinelopi Moutzouri, Bruno Simões de Almeida, Daria Torodii

One key bottleneck of solid-state NMR spectroscopy is that H-1 NMR spectra of organic solids are often very broad due to the presence of a strong network of dipolar couplings. We have recently suggested a new approach to tackle this problem. More specifica ...

Wiley-VCH Verlag GmbH2023

Development of strategies to improve 1H resolution in NMR of solids at 100 kHz magic-angle spinning

Bruno Simões de Almeida

In solid-state NMR, homonuclear dipolar couplings contribute greatly to the broadening of 1H spectral line shapes. Even at the fastest magic-angle spinning rates (MAS) available today [100-150kHz], the linewidths still extend over several hundred Hertz, li ...

EPFL2023

Rapid grain boundary diffusion in foraminifera tests biases paleotemperature records

Anders Meibom, Jaroslaw Hubert Stolarski, Lukas Baumgartner, Arthur Adams, Deyanira Graciela Cisneros Lazaro, Jinming Guo

The paleoseawater temperature record from the oxygen isotope compositions of fossil foraminifera tests may be biased by up to about 1 degrees C due to grain-boundary diffusion alone, according to isotope exchange experiments on foraminifera tests. The oxyg ...

2023

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

David Lyndon Emsley, Dominik Józef Kubicki, Aditya Mishra, Gabriele Stevanato, Michael Allan Hope

The intrinsic low sensitivity of nuclear magnetic resonance (NMR) experiments limits their utility for structure determination of materials. Dynamic nuclear polarization (DNP) under magic angle spinning (MAS) has shown tremendous potential to overcome this ...

2023

Isotope Ratio - Discharge Relationships of Solutes Derived From Weathering Reactions

Paolo Benettin

To date, the vast majority of studies seeking to link discharge to solute concentrations have been based on representations of fluid age distributions in watersheds that are time-invariant. As increasingly detailed spatial and temporal datasets become avai ...

Amer Journal Science2023

Fast, Broad-Band Magnetic Resonance Spectroscopy with Diamond Widefield Relaxometry

Mayeul Sylvain Chipaux, Hoda Shirzad

We present an alternative to conventional Electron the use of bulky magnets and magnetron equipment, we use the photoluminescence of an ensemble of Nitrogen-Vacancy centers at the surface of a diamond. Monitoring their relaxation time (or T1), we detected ...

AMER CHEMICAL SOC2023