Effect of magnetic anisotropy on direct chiral discrimination in paramagnetic NMR spectroscopy

2020 ◽  
Vol 22 (16) ◽  
pp. 8427-8441
Author(s):  
Simone Calvello ◽  
Alessandro Soncini
Keyword(s):  
Nmr Spectroscopy ◽  
Magnetic Anisotropy ◽  
Crystal Field ◽  
Room Temperature ◽  
Chiral Discrimination ◽  
Paramagnetic Nmr

We have studied the effect of thermally populated crystal field states on room temperature chiral discrimination in NMR spectroscopy.

scholarly journals Influence of crystal-field perturbations on the room-temperature magnetic anisotropy of lanthanide complexes

2001 ◽  
Vol 345 (1-2) ◽  
pp. 132-140 ◽  
Author(s):  
Vladimir S. Mironov ◽  
Yury G. Galyametdinov ◽  
Arnout Ceulemans ◽  
Christiane Görller-Walrand ◽  
Koen Binnemans
Keyword(s):  
Magnetic Anisotropy ◽  
Crystal Field ◽  
Lanthanide Complexes ◽  
Room Temperature

scholarly journals Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy

ACS Omega ◽  
2018 ◽  
Vol 3 (5) ◽  
pp. 4941-4946 ◽  
Author(s):  
Alexander A. Pavlov ◽  
Svetlana A. Savkina ◽  
Alexander S. Belov ◽  
Yan Z. Voloshin ◽  
Yulia V. Nelyubina ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Magnetic Anisotropy ◽  
Paramagnetic Nmr

scholarly journals Room-temperature dynamic nuclear polarization enhanced NMR spectroscopy of small biological molecules in water

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Danhua Dai ◽  
Xianwei Wang ◽  
Yiwei Liu ◽  
Xiao-Liang Yang ◽  
Clemens Glaubitz ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Dynamic Nuclear Polarization ◽  
Room Temperature ◽  
Nuclear Polarization ◽  
Chemical Properties ◽  
Molecular Structures ◽  
Biological Molecules ◽  
Paramagnetic Nmr ◽  
Substrate Complex ◽  
Low Sensitivity

AbstractNuclear magnetic resonance (NMR) spectroscopy is a powerful and popular technique for probing the molecular structures, dynamics and chemical properties. However the conventional NMR spectroscopy is bottlenecked by its low sensitivity. Dynamic nuclear polarization (DNP) boosts NMR sensitivity by orders of magnitude and resolves this limitation. In liquid-state this revolutionizing technique has been restricted to a few specific non-biological model molecules in organic solvents. Here we show that the carbon polarization in small biological molecules, including carbohydrates and amino acids, can be enhanced sizably by in situ Overhauser DNP (ODNP) in water at room temperature and at high magnetic field. An observed connection between ODNP 13C enhancement factor and paramagnetic 13C NMR shift has led to the exploration of biologically relevant heterocyclic compound indole. The QM/MM MD simulation underscores the dynamics of intermolecular hydrogen bonds as the driving force for the scalar ODNP in a long-living radical-substrate complex. Our work reconciles results obtained by DNP spectroscopy, paramagnetic NMR and computational chemistry and provides new mechanistic insights into the high-field scalar ODNP.

scholarly journals Structure and dynamics of room temperature ionic liquids with bromide anion: results from 81 Br NMR spectroscopy

2015 ◽  
Vol 53 (5) ◽  
pp. 369-378 ◽  
Author(s):  
Takatsugu Endo ◽  
Mamoru Imanari ◽  
Yuki Hidaka ◽  
Hiroko Seki ◽  
Keiko Nishikawa ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Nmr Spectroscopy ◽  
Room Temperature ◽  
Room Temperature Ionic Liquids ◽  
Bromide Anion ◽  
Structure And Dynamics

scholarly journals Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 149-163
Author(s):  
Duncan Micallef ◽  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

scholarly journals Electronic voltage control of magnetic anisotropy at room temperature in high- κ SrTiO3/Co/Pt trilayer

2020 ◽  
Vol 4 (11) ◽  
Author(s):  
Bart F. Vermeulen ◽  
Johan Swerts ◽  
Sébastien Couet ◽  
Mihaela Popovici ◽  
Iuliana P. Radu ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Room Temperature ◽  
Voltage Control

Installation of a Rigid EDTA-Like Motif into a Protein α-Helix for Paramagnetic NMR Spectroscopy with Cobalt(II) Ions

2015 ◽  
Vol 22 (4) ◽  
pp. 1228-1232 ◽  
Author(s):  
James D. Swarbrick ◽  
Phuc Ung ◽  
Matthew L. Dennis ◽  
Michael D. Lee ◽  
Sandeep Chhabra ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Paramagnetic Nmr ◽  
Α Helix
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