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Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometry. / Hernandez Santiago, Adrian A.; Buchelnikov, Anatoly S.; Rubinson, Maria A.; Yesylevskyy, Semen O.; Parkinson, John A.; Evstigneev, Maxim P.

In: Journal of Chemical Physics, Vol. 142, No. 10, 104202, 14.03.2015.

Research output: Contribution to journal › Article › peer-review

Harvard

Hernandez Santiago, AA, Buchelnikov, AS, Rubinson, MA, Yesylevskyy, SO, Parkinson, JA & Evstigneev, MP 2015, 'Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometry', Journal of Chemical Physics, vol. 142, no. 10, 104202. https://doi.org/10.1063/1.4913974

APA

Hernandez Santiago, A. A., Buchelnikov, A. S., Rubinson, M. A., Yesylevskyy, S. O., Parkinson, J. A., & Evstigneev, M. P. (2015). Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometry. Journal of Chemical Physics, 142(10), [104202]. https://doi.org/10.1063/1.4913974

Vancouver

Hernandez Santiago AA, Buchelnikov AS, Rubinson MA, Yesylevskyy SO, Parkinson JA, Evstigneev MP. Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometry. Journal of Chemical Physics. 2015 Mar 14;142(10). 104202. https://doi.org/10.1063/1.4913974

Author

Hernandez Santiago, Adrian A. ; Buchelnikov, Anatoly S. ; Rubinson, Maria A. ; Yesylevskyy, Semen O. ; Parkinson, John A. ; Evstigneev, Maxim P. / Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometry. In: Journal of Chemical Physics. 2015 ; Vol. 142, No. 10.

BibTeX

@article{526254d0ae2d4f9a91001be2ee429cd8,
title = "Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometry",
abstract = "NMR diffusometry has been gaining wide popularity in various areas of applied chemistry for investigating diffusion and complexation processes in solid and aqueous phases. To date, the application of this method to study aggregation phenomena proceeding beyond the dimer stage of assembly has been restricted by the need for a priori knowledge of the aggregates' shape, commonly difficult to know in practice. We describe here a comprehensive analysis of aggregation parameter-dependency on the type and shape selected for modeling assembly processes, and report for the first time a shape-independent model (designated the SHIM approach), which may be used as an alternative in cases when information on aggregates' shapes is unavailable. The model can be used for determining equilibrium aggregation parameters from self-diffusion NMR data including equilibrium self-association constant and changes in enthalpy, ΔH, and entropy, ΔS.",
author = "{Hernandez Santiago}, {Adrian A.} and Buchelnikov, {Anatoly S.} and Rubinson, {Maria A.} and Yesylevskyy, {Semen O.} and Parkinson, {John A.} and Evstigneev, {Maxim P.}",
year = "2015",
month = mar,
day = "14",
doi = "10.1063/1.4913974",
language = "English",
volume = "142",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "10",

}

RIS

TY - JOUR

T1 - Shape-independent model (SHIM) approach for studying aggregation by NMR diffusometry

AU - Hernandez Santiago, Adrian A.

AU - Buchelnikov, Anatoly S.

AU - Rubinson, Maria A.

AU - Yesylevskyy, Semen O.

AU - Parkinson, John A.

AU - Evstigneev, Maxim P.

PY - 2015/3/14

Y1 - 2015/3/14

N2 - NMR diffusometry has been gaining wide popularity in various areas of applied chemistry for investigating diffusion and complexation processes in solid and aqueous phases. To date, the application of this method to study aggregation phenomena proceeding beyond the dimer stage of assembly has been restricted by the need for a priori knowledge of the aggregates' shape, commonly difficult to know in practice. We describe here a comprehensive analysis of aggregation parameter-dependency on the type and shape selected for modeling assembly processes, and report for the first time a shape-independent model (designated the SHIM approach), which may be used as an alternative in cases when information on aggregates' shapes is unavailable. The model can be used for determining equilibrium aggregation parameters from self-diffusion NMR data including equilibrium self-association constant and changes in enthalpy, ΔH, and entropy, ΔS.

AB - NMR diffusometry has been gaining wide popularity in various areas of applied chemistry for investigating diffusion and complexation processes in solid and aqueous phases. To date, the application of this method to study aggregation phenomena proceeding beyond the dimer stage of assembly has been restricted by the need for a priori knowledge of the aggregates' shape, commonly difficult to know in practice. We describe here a comprehensive analysis of aggregation parameter-dependency on the type and shape selected for modeling assembly processes, and report for the first time a shape-independent model (designated the SHIM approach), which may be used as an alternative in cases when information on aggregates' shapes is unavailable. The model can be used for determining equilibrium aggregation parameters from self-diffusion NMR data including equilibrium self-association constant and changes in enthalpy, ΔH, and entropy, ΔS.

UR - http://www.scopus.com/inward/record.url?scp=84924859306&partnerID=8YFLogxK

U2 - 10.1063/1.4913974

DO - 10.1063/1.4913974

M3 - Article

C2 - 25770533

AN - SCOPUS:84924859306

VL - 142

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 10

M1 - 104202

ER -

ID: 10241366