Toward the Prediction of Water Exchange Rates in Magnetic Resonance Imaging Contrast Agents: A Density Functional Theory Study

Martín Regueiro-Figueroa; Carlos Platas-Iglesias

doi:10.1021/acs.jpca.5b01728

Toward the Prediction of Water Exchange Rates in Magnetic Resonance Imaging Contrast Agents: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b01728 ◽

2015 ◽

Vol 119 (24) ◽

pp. 6436-6445 ◽

Cited By ~ 37

Author(s):

Martín Regueiro-Figueroa ◽

Carlos Platas-Iglesias

Keyword(s):

Magnetic Resonance Imaging ◽

Density Functional Theory ◽

Magnetic Resonance ◽

Exchange Rates ◽

Density Functional ◽

Water Exchange ◽

Density Functional Theory Study ◽

Resonance Imaging ◽

Functional Theory ◽

Magnetic Resonance Imaging Contrast

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Density Functional Theory Study on Aqueous Aluminum−Fluoride Complexes: Exploration of the Intrinsic Relationship between Water-Exchange Rate Constants and Structural Parameters for Monomer Aluminum Complexes

Environmental Science & Technology ◽

10.1021/es102872h ◽

2011 ◽

Vol 45 (1) ◽

pp. 288-293 ◽

Cited By ~ 12

Author(s):

Xiaoyan Jin ◽

Zhaosheng Qian ◽

Bangmei Lu ◽

Wenjing Yang ◽

Shuping Bi

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Exchange ◽

Structural Parameters ◽

Aluminum Fluoride ◽

Density Functional Theory Study ◽

Functional Theory ◽

Water Exchange Rate ◽

Fluoride Complexes ◽

Aqueous Aluminum

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Theoretical investigation into the influence of conformational equilibria on the water-exchange process in magnetic resonance imaging contrast agents

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0525-4 ◽

2003 ◽

Vol 111 (2-6) ◽

pp. 204-209 ◽

Cited By ~ 14

Author(s):

Ugo Cosentino ◽

Demetrio Pitea ◽

Giorgio Moro ◽

Vincenzo Barone ◽

Alessandra Villa ◽

...

Keyword(s):

Magnetic Resonance Imaging ◽

Magnetic Resonance ◽

Contrast Agents ◽

Theoretical Investigation ◽

Water Exchange ◽

Exchange Process ◽

Resonance Imaging ◽

Conformational Equilibria ◽

Magnetic Resonance Imaging Contrast

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Density Functional Theory Study of the Effects of Substituents on the Carbon-13 Nuclear Magnetic Resonance Chemical Shifts of Asphaltene Model Compounds

Energy & Fuels ◽

10.1021/ef502078n ◽

2014 ◽

Vol 29 (5) ◽

pp. 2843-2852 ◽

Cited By ~ 2

Author(s):

Jackeline S. C. Oliveira ◽

Leonardo M. da Costa ◽

Stanislav R. Stoyanov ◽

Peter R. Seidl

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Density Functional ◽

Chemical Shifts ◽

Density Functional Theory Study ◽

Model Compounds ◽

Functional Theory ◽

Nuclear Magnetic

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Gd(DOTAlaP): Exploring the Boundaries of Fast Water Exchange in Gadolinium-Based Magnetic Resonance Imaging Contrast Agents

Inorganic Chemistry ◽

10.1021/ic5008928 ◽

2014 ◽

Vol 53 (13) ◽

pp. 6985-6994 ◽

Cited By ~ 18

Author(s):

Eszter Boros ◽

Shima Karimi ◽

Nathaniel Kenton ◽

Lothar Helm ◽

Peter Caravan

Keyword(s):

Magnetic Resonance Imaging ◽

Magnetic Resonance ◽

Contrast Agents ◽

Water Exchange ◽

Resonance Imaging ◽

Magnetic Resonance Imaging Contrast

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Nature of the Surface Intermediates Formed from Methane on Cu-ZSM-5 Zeolite: A Combined Solid-State Nuclear Magnetic Resonance and Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c00311 ◽

2020 ◽

Vol 124 (11) ◽

pp. 6242-6252 ◽

Cited By ~ 4

Author(s):

Alexander A. Kolganov ◽

Anton A. Gabrienko ◽

Svetlana A. Yashnik ◽

Evgeny A. Pidko ◽

Alexander G. Stepanov

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Solid State ◽

Magnetic Resonance ◽

Density Functional ◽

Zeolite A ◽

Density Functional Theory Study ◽

Functional Theory ◽

Surface Intermediates ◽

Nuclear Magnetic

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Electron Magnetic Resonance and Density Functional Theory Study of Room Temperature X-Irradiated β-d-Fructose Single Crystals

The Journal of Physical Chemistry A ◽

10.1021/jp107777v ◽

2010 ◽

Vol 114 (47) ◽

pp. 12417-12426 ◽

Cited By ~ 10

Author(s):

Mihaela Adeluta Tarpan ◽

Ewald Pauwels ◽

Henk Vrielinck ◽

Michel Waroquier ◽

Freddy Callens

Keyword(s):

Density Functional Theory ◽

Magnetic Resonance ◽

Single Crystals ◽

Density Functional ◽

Room Temperature ◽

Electron Magnetic Resonance ◽

Density Functional Theory Study ◽

Functional Theory

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High-pressure NMR study of water exchange on magnetic resonance imaging contrast agents

High Pressure Research ◽

10.1080/08957959408200270 ◽

1994 ◽

Vol 13 (1-3) ◽

pp. 109-113 ◽

Cited By ~ 2

Author(s):

Lothar Helm ◽

D. Hugh Powell ◽

Andre E. Merbach ◽

Karoly Micskei ◽

Ernö Brücher

Keyword(s):

Magnetic Resonance Imaging ◽

High Pressure ◽

Magnetic Resonance ◽

Contrast Agents ◽

Water Exchange ◽

Resonance Imaging ◽

Nmr Study ◽

Magnetic Resonance Imaging Contrast

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ChemInform Abstract: Strategies for Optimizing Water-exchange Rates of Lanthanide-based Contrast Agents for Magnetic Resonance Imaging

ChemInform ◽

10.1002/chin.201406237 ◽

2014 ◽

Vol 45 (6) ◽

pp. no-no

Author(s):

Buddhima N. Siriwardena-Mahanama ◽

Matthew J. Allen

Keyword(s):

Magnetic Resonance Imaging ◽

Magnetic Resonance ◽

Exchange Rates ◽

Contrast Agents ◽

Water Exchange ◽

Resonance Imaging

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Engineering lanthanide complexes with controlled water exchange rates for magnetic resonance imaging

The 26th Annual International Conference of the IEEE Engineering in Medicine and Biology Society ◽

10.1109/iembs.2004.1404468 ◽

2005 ◽

Author(s):

M. Woods ◽

D.A. Sherry

Keyword(s):

Magnetic Resonance Imaging ◽

Magnetic Resonance ◽

Exchange Rates ◽

Lanthanide Complexes ◽

Water Exchange ◽

Resonance Imaging

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Reduction potentials of para -substituted nitrobenzenes-an infrared, nuclear magnetic resonance, and density functional theory study

Journal of Physical Organic Chemistry ◽

10.1002/poc.1868 ◽

2011 ◽

Vol 25 (1) ◽

pp. 58-68 ◽

Cited By ~ 50

Author(s):

Annemarie Kuhn ◽

Karel G. von Eschwege ◽

Jeanet Conradie

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Reduction Potentials ◽

Nuclear Magnetic

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