The NMR chemical shift pH measurement revisited: Analysis of error and modeling of a pH dependent reference

Joseph J. H. Ackerman; Gabriel E. Soto; William M. Spees; Zehua Zhu; Jeffrey L. Evelhoch

doi:10.1002/mrm.1910360505

The NMR chemical shift pH measurement revisited: Analysis of error and modeling of a pH dependent reference

Magnetic Resonance in Medicine ◽

10.1002/mrm.1910360505 ◽

1996 ◽

Vol 36 (5) ◽

pp. 674-683 ◽

Cited By ~ 28

Author(s):

Joseph J. H. Ackerman ◽

Gabriel E. Soto ◽

William M. Spees ◽

Zehua Zhu ◽

Jeffrey L. Evelhoch

Keyword(s):

Chemical Shift ◽

Ph Measurement ◽

Nmr Chemical Shift ◽

Ph Dependent ◽

Analysis Of Error

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Modeling pH-Dependent NMR Chemical Shift Perturbations in Peptides

Biophysical Journal ◽

10.1016/j.bpj.2019.06.003 ◽

2019 ◽

Vol 117 (2) ◽

pp. 258-268

Author(s):

Efrosini Artikis ◽

Charles L. Brooks

Keyword(s):

Chemical Shift ◽

Nmr Chemical Shift ◽

Ph Dependent

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pH-Dependent spin state population and 19F NMR chemical shift via remote ligand protonation in an iron(ii) complex

Chemical Communications ◽

10.1039/c7cc08158h ◽

2017 ◽

Vol 53 (96) ◽

pp. 12962-12965 ◽

Cited By ~ 18

Author(s):

Alexandra I. Gaudette ◽

Agnes E. Thorarinsdottir ◽

T. David Harris

Keyword(s):

Chemical Shift ◽

Spin State ◽

19F Nmr ◽

Protonation State ◽

Nmr Chemical Shift ◽

State Population ◽

Ph Dependent

An FeII complex that features a pH-dependent spin state population and 19F chemical shift, by virtue of a variable ligand protonation state, is described.

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Faculty Opinions recommendation of A critical assessment of the performance of protein-ligand scoring functions based on NMR chemical shift perturbations.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1098471.554551 ◽

2007 ◽

Author(s):

Zelda R Wasserman

Keyword(s):

Chemical Shift ◽

Critical Assessment ◽

Scoring Functions ◽

Nmr Chemical Shift

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Faculty Opinions recommendation of Consistent blind protein structure generation from NMR chemical shift data.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1103520.560739 ◽

2008 ◽

Author(s):

Gottfried Otting

Keyword(s):

Protein Structure ◽

Chemical Shift ◽

Nmr Chemical Shift ◽

Structure Generation ◽

Chemical Shift Data ◽

Shift Data

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Faculty Opinions recommendation of Reliable resonance assignments of selected residues of proteins with known structure based on empirical NMR chemical shift prediction.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.725424250.793505650 ◽

2015 ◽

Author(s):

H Jane Dyson ◽

Bryn Fenwick

Keyword(s):

Chemical Shift ◽

Resonance Assignments ◽

Nmr Chemical Shift ◽

Chemical Shift Prediction

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Calculation of13C-NMR chemical shift using the intermediate neglect of differential overlap model

International Journal of Quantum Chemistry ◽

10.1002/qua.560430304 ◽

1992 ◽

Vol 43 (3) ◽

pp. 327-342 ◽

Cited By ~ 11

Author(s):

John David Baker ◽

Michael C. Zerner

Keyword(s):

Chemical Shift ◽

Nmr Chemical Shift ◽

Overlap Model ◽

Neglect Of Differential Overlap

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Tris(trimethylsilyl)methane as an internal13C NMR chemical shift thermometer

Magnetic Resonance in Chemistry ◽

10.1002/(sici)1097-458x(199806)36:13<s118::aid-omr321>3.0.co;2-4 ◽

1998 ◽

Vol 36 (S1) ◽

pp. S118-S124 ◽

Cited By ~ 26

Author(s):

William H. Sikorski ◽

Aaron W. Sanders ◽

Hans J. Reich

Keyword(s):

Chemical Shift ◽

Nmr Chemical Shift

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Modeling Small Structural and Environmental Differences in Solids with 15 N NMR Chemical Shift Tensors

ChemPhysChem ◽

10.1002/cphc.202000985 ◽

2021 ◽

Author(s):

Luther Wang ◽

Alexander B. Elliott ◽

Sean D. Moore ◽

Gregory J. O. Beran ◽

Joshua D. Hartman ◽

...

Keyword(s):

Chemical Shift ◽

Nmr Chemical Shift ◽

Chemical Shift Tensors

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Side-chain conformation and 13C-NMR chemical shift of poly(l-phenylalanine) and oligopeptides containing l-phenylalanine and tyrosine residues in the solid state

Journal of Molecular Structure ◽

10.1016/0022-2860(90)80115-z ◽

1990 ◽

Vol 220 ◽

pp. 251-260 ◽

Cited By ~ 10

Author(s):

Hidetoshi Miyamoto ◽

Tadashi Komoto ◽

Hiromichi Kurosu ◽

Isao Ando ◽

Takuo Ozaki ◽

...

Keyword(s):

Solid State ◽

Chemical Shift ◽

13C Nmr ◽

Chain Conformation ◽

Side Chain ◽

Nmr Chemical Shift ◽

Tyrosine Residues ◽

Side Chain Conformation

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Monitoring the Ligand Binding Mode by Proton NMR Chemical Shift Differences

ChemMedChem ◽

10.1002/cmdc.200600175 ◽

2006 ◽

Vol 1 (11) ◽

pp. 1197-1199 ◽

Cited By ~ 1

Author(s):

Srisunder Subramaniam ◽

Stephen L. Briggs ◽

Allen D. Kline

Keyword(s):

Chemical Shift ◽

Ligand Binding ◽

Proton Nmr ◽

Binding Mode ◽

Nmr Chemical Shift

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