Determination of 51V quadrupole and chemical shift tensor orientations in V2O5 by analysis of magic-angle spinning nuclear magnetic resonance spectra

Fernandéz, Christian; Bodart, Philippe R.; Amoureux, Jean‐Paul

doi:10.1016/0926-2040(94)90026-4

Cited by 55 publications

(59 citation statements)

References 26 publications

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“…We thus used a complementary experiment which can directly detect 51 V using solid-state NMR. 51 V has been intensively studied by solid-state NMR due to its rather small nuclear quadrupole moment and its high sensitivity [114][115][116]. Vanadate has also been studied in biological systems using solution-state NMR [117,118] and solid-state NMR [119].…”

Section: The Transition-state Analogues Atp/adp:vi and Aluminium Fluomentioning

confidence: 99%

ATP Analogues for Structural Investigations: Case Studies of a DnaB Helicase and an ABC Transporter

et al. 2020

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Nucleoside triphosphates (NTPs) are used as chemical energy source in a variety of cell systems. Structural snapshots along the NTP hydrolysis reaction coordinate are typically obtained by adding stable, nonhydrolyzable adenosine triphosphate (ATP) -analogues to the proteins, with the goal to arrest a state that mimics as closely as possible a physiologically relevant state, e.g., the pre-hydrolytic, transition and post-hydrolytic states. We here present the lessons learned on two distinct ATPases on the best use and unexpected pitfalls observed for different analogues. The proteins investigated are the bacterial DnaB helicase from Helicobacter pylori and the multidrug ATP binding cassette (ABC) transporter BmrA from Bacillus subtilis, both belonging to the same division of P-loop fold NTPases. We review the magnetic-resonance strategies which can be of use to probe the binding of the ATP-mimics, and present carbon-13, phosphorus-31, and vanadium-51 solid-state nuclear magnetic resonance (NMR) spectra of the proteins or the bound molecules to unravel conformational and dynamic changes upon binding of the ATP-mimics. Electron paramagnetic resonance (EPR), and in particular W-band electron-electron double resonance (ELDOR)-detected NMR, is of complementary use to assess binding of vanadate. We discuss which analogues best mimic the different hydrolysis states for the DnaB helicase and the ABC transporter BmrA. These might be relevant also to structural and functional studies of other NTPases.

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Section: The Transition-state Analogues Atp/adp:vi and Aluminium Fluomentioning

confidence: 99%

ATP Analogues for Structural Investigations: Case Studies of a DnaB Helicase and an ABC Transporter

et al. 2020

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“…Due to the existence of sixteen sets of Euler angles leading to identical NMR (MAS and static) spectra for powder samples, 19 the intervals for Euler angles were narrowed to 0 r a r p, 0 r b r p/2, 0 r g r p/2 as described in ref. 20.…”

Section: Nmr Conventionsmentioning

confidence: 99%

Theoretical and experimental insights into applicability of solid-state 93Nb NMR in catalysis

Papulovskiy

Shubin

Terskikh

et al. 2013

Phys. Chem. Chem. Phys.

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Ab initio DFT calculations of (93)Nb NMR parameters using the NMR-CASTEP code were performed for a series of over fifty individual niobates, and a good agreement has been found with experimental NMR parameters. New experimental and calculated (93)Nb NMR data were obtained for several compounds, AlNbO4, VNb9O25, K8Nb6O19 and Cs3NbO8, which are of particular interest for catalysis. Several interesting trends have been identified between (93)Nb NMR parameters and the specifics of niobium site environments in niobates. These trends may serve as useful guidelines in interpreting (93)Nb NMR spectra of complex niobium oxide systems, including amorphous samples and niobium-based multicomponent heterogeneous catalysts. Potential applications of (93)Nb NMR to study solid polyoxoniobates are discussed.

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“…This is mainly due to the fact that only a few polyoxovanadates (mainly V 2 O 5 and M[V 3 O 8 ] compounds) with vanadium geometry differing from tetrahedral symmetry were previously characterized by 51 V MAS NMR spectroscopy. 12,16,18,22,23,25,[48][49][50] Therefore, the caesium hexavanadate phases and the decavanadate polyanion constitute interesting reference compounds for spectroscopic purposes since they exhibit VO 5 and/or VO 6 units. Moreover, since NMR parameters and the broadening of the signals are sensitive to the local order of vanadium sites, we may expect that 51 V NMR spectroscopy will provide valuable insights on vanadium environment changes upon Cs + and water molecule incorporation.…”

Section: M-oh + M-oh 2 / M-(oh)-m + H 2 Omentioning

confidence: 99%

“…15 We assumed that the caesium ion Cs + was a particularly well-suited cation for such studies, since 133 Cs and 51 V are quadrupolar nuclei (I ¼ 7/2) whose local environment may be probed by using solid-state MAS (magic angle spinning) NMR techniques. [16][17][18][19][20][21][22][23][24][25][26][27][28][29] In this work, three caesium vanadium oxide phases Cs 4 [H 2 V 10 O 28 ]$4H 2 O, Cs[V 3 O 8 ] and Cs 2 [V 6 O 16 ]$0.7 H 2 O could be successfully synthesized by adding CsOH and CsCl to an acidified metavanadate solution at room temperature. In fact, the crystallographic structures of Cs 4 [H 2 V 10 O 28 ]$4H 2 O and Cs[V 3 O 8 ] were already determined by single crystal X-ray diffraction.…”

Section: Introductionmentioning

confidence: 99%

Room temperature sol–gel synthesis of crystalline Cs[V3O8]. Probing the hydration level of the interlamellar space by 51V and 133Cs MAS NMR spectroscopy

et al. 2008

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Determination of 51V quadrupole and chemical shift tensor orientations in V2O5 by analysis of magic-angle spinning nuclear magnetic resonance spectra

Cited by 55 publications

References 26 publications

ATP Analogues for Structural Investigations: Case Studies of a DnaB Helicase and an ABC Transporter

ATP Analogues for Structural Investigations: Case Studies of a DnaB Helicase and an ABC Transporter

Theoretical and experimental insights into applicability of solid-state 93Nb NMR in catalysis

Room temperature sol–gel synthesis of crystalline Cs[V3O8]. Probing the hydration level of the interlamellar space by 51V and 133Cs MAS NMR spectroscopy

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