The determination of individual rates from magnetization-transfer measurements

Grassi, M.; Mann, Brian E.; Pickup, Barry T.; Spencer, Catriona M.

doi:10.1016/0022-2364(86)90220-9

Cited by 33 publications

(30 citation statements)

References 11 publications

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“…Each of the fitting to a sum of exponentials by converting Eq. [4] to the sites is selectively inverted (5)(6)(7)(8). In this case the matrix linearized form, M 0 is simply diag (2, 2, .…”

Section: Initial Perturbations Various Initial Perturbations Havementioning

confidence: 99%

“…The analysis is accomplished without the difficult process of nonlinear-least-squares fitting (5)(6)(7)(8). Furthermore, the need for a weighted fit is illustrated in Fig.…”

Section: A Graph Of Ln(mmmentioning

confidence: 99%

“…Thus Eqs. [6] and [8] provide each rate constant k ji Å 0R ij and an estimate of the error in that rate constant. However, it is necessary to find the proper weighting factor w, which for each t m is inversely proportional to the variance of the y value, or…”

Section: Initial Perturbations Various Initial Perturbations Havementioning

confidence: 99%

“…Moreover, the ability to use a The intensity data can then be fitted to Eq. [3] in order to different carrier frequency for each of the t 1 values provides extract the site-to-site rate constants (5)(6)(7)(8).…”

Section: Introductionmentioning

confidence: 99%

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Accurate Rate Constants for Chemical Exchange from Improved Weighted Linear-Least-Squares Analysis of Multiple 1D-EXSY Data

Perrin

Engler

1996

Journal of Magnetic Resonance, Series A

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“…Each of the fitting to a sum of exponentials by converting Eq. [4] to the sites is selectively inverted (5)(6)(7)(8). In this case the matrix linearized form, M 0 is simply diag (2, 2, .…”

Section: Initial Perturbations Various Initial Perturbations Havementioning

confidence: 99%

“…The analysis is accomplished without the difficult process of nonlinear-least-squares fitting (5)(6)(7)(8). Furthermore, the need for a weighted fit is illustrated in Fig.…”

Section: A Graph Of Ln(mmmentioning

confidence: 99%

Section: Initial Perturbations Various Initial Perturbations Havementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Accurate Rate Constants for Chemical Exchange from Improved Weighted Linear-Least-Squares Analysis of Multiple 1D-EXSY Data

Perrin

Engler

1996

Journal of Magnetic Resonance, Series A

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“…One way is to guess at exchange rates and other parameters and calculate a model set of data (5,7,(18)(19)(20). From the discrepancies rates.…”

Section: Data Fitting and Error Analysismentioning

confidence: 99%

Slow Chemical Exchange in an Eight-Coordinated Bicentered Ruthenium Complex Studied by One-Dimensional Methods. Data Fitting and Error Analysis

Bain

Cramer

1996

Journal of Magnetic Resonance, Series A

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Methods of single‐ and double‐selective excitation: Theory and applications. Part II

Gaggelli

Valensin

1993

Concepts Magn. Reson.

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A general review of applications of selective excitation techniques is provided. The different methods for suppression of solvent signal are summarized. The theoretical basis of selective population inversion and selective polarization transfer is considered and applications are treated. Direct observation of chemical-exchange processes is discussed for both the two-site and the multi-site system. Finally, the potential of selective excitation techniques for extracting structural and dynamic information from single-and double-selective relaxation rates is addressed, with particular emphasis given to N M R studies of small ligands bound to macromolecules. THE DYNAMIC RANGE PROBLEM AND SUPPRESSION OF THE SOLVENT SIGNALThe intensity of the solvent signal is usually much greater than any other signal in the NMR spectrum. In I3C NMR of nonaqueous solutions, the problem can be avoided by using I3Cdepleted solvents, but the use of deuterium-enriched solvents does not completely eliminate the problem, especially in aqueous solutions where chemical exchange yields a residual intense HDO signal. Moreover, such exchange phenomena cancel all resonances of exchangeable protons from the spectrum, and an enrichment of less than 20% is usually desirable. Because the computer has a finite word length, a limit is placed on the number of accumulations that can be stored before Fourier transformation. When the largest protonic signal reaches the limit of this amplitude-modulated range, the signal is normalized to prevent overflow.A convenient method of solvent-signal suppression is saturation of the solvent resonance with a long, selective, gated pulse at the H,O resonant frequency immediately before the nonselective observation pulse (I, 2). Complications may arise from transfer of saturation to other exchangeable protons when their spin-lattice relaxation rates are slower than the exchange rate (3).

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The determination of individual rates from magnetization-transfer measurements

Cited by 33 publications

References 11 publications

Accurate Rate Constants for Chemical Exchange from Improved Weighted Linear-Least-Squares Analysis of Multiple 1D-EXSY Data

Accurate Rate Constants for Chemical Exchange from Improved Weighted Linear-Least-Squares Analysis of Multiple 1D-EXSY Data

Slow Chemical Exchange in an Eight-Coordinated Bicentered Ruthenium Complex Studied by One-Dimensional Methods. Data Fitting and Error Analysis

Methods of single‐ and double‐selective excitation: Theory and applications. Part II

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