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Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculations
Magn Reson Chem. 2023 Oct 26. doi: 10.1002/mrc.5403. Online ahead of print.ABSTRACTSolid state NMR is widely used to study the orientation and other structural features of proteins and peptides in lipid bilayers. Using data obtained by PISEMA (Polarization Inversion Spin Exchange at Magic Angle) experiments, periodic spectral patterns arise from well-aligned α-helical molecules. Significant problems in the interpretation of PISEMA spectra may arise for systems that do not form perfectly defined secondary structures, like α-helices, or the signal pattern is disturbed by molecular motion. Here, we present a new method that...
Source: Magnetic Resonance in Chemistry : MRC - October 26, 2023 Category: Chemistry Authors: Ulrich Sternberg Raiker Witter Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Molecular precursors to produce para-hydrogen enhanced metabolites at any field
We report here on the complete synthesis and hyperpolarization of suitable precursor molecules of the side-arm hydrogenation approach. The better accessibility to such side-arms promises that the para-hydrogen approach can be implemented in every lab with existing two channel NMR spectrometers for 1 H and 13 C independent of the magnetic field.PMID:37821237 | DOI:10.1002/mrc.5402 (Source: Magnetic Resonance in Chemistry : MRC)
Source: Magnetic Resonance in Chemistry : MRC - October 11, 2023 Category: Chemistry Authors: Anil P Jagtap Salvatore Mamone Stefan Gl öggler Source Type: research

Low-field, not low quality: 1D simplification, selective detection, and heteronuclear 2D experiments for improving low-field NMR spectroscopy of environmental and biological samples
Magn Reson Chem. 2023 Oct 9. doi: 10.1002/mrc.5401. Online ahead of print.ABSTRACTUnderstanding environmental change is challenging and requires molecular-level tools to explain the physicochemical phenomena behind complex processes. Nuclear magnetic resonance (NMR) spectroscopy is a key tool that provides information on both molecular structures and interactions but is underutilized in environmental research because standard "high-field" NMR is financially and physically inaccessible for many and can be overwhelming to those outside of disciplines that routinely use NMR. "Low-field" NMR is an accessible alternative but ha...
Source: Magnetic Resonance in Chemistry : MRC - October 9, 2023 Category: Chemistry Authors: Katelyn Downey Wolfgang Bermel Ronald Soong Daniel H Lysak Kiera Ronda Katrina Steiner Peter M Costa William W Wolff Venita Decker Falko Busse Benjamin Goerling Agnes Haber Myrna J Simpson Andre J Simpson Source Type: research

Low-field, not low quality: 1D simplification, selective detection, and heteronuclear 2D experiments for improving low-field NMR spectroscopy of environmental and biological samples
Magn Reson Chem. 2023 Oct 9. doi: 10.1002/mrc.5401. Online ahead of print.ABSTRACTUnderstanding environmental change is challenging and requires molecular-level tools to explain the physicochemical phenomena behind complex processes. Nuclear magnetic resonance (NMR) spectroscopy is a key tool that provides information on both molecular structures and interactions but is underutilized in environmental research because standard "high-field" NMR is financially and physically inaccessible for many and can be overwhelming to those outside of disciplines that routinely use NMR. "Low-field" NMR is an accessible alternative but ha...
Source: Magnetic Resonance in Chemistry : MRC - October 9, 2023 Category: Chemistry Authors: Katelyn Downey Wolfgang Bermel Ronald Soong Daniel H Lysak Kiera Ronda Katrina Steiner Peter M Costa William W Wolff Venita Decker Falko Busse Benjamin Goerling Agnes Haber Myrna J Simpson Andre J Simpson Source Type: research