Effect of water nanoconfinement on the dynamic properties of paramagnetic colloidal complexes
Literature Information
Luca Bergamasco, Matteo Morciano, Matteo Fasano
The anomalous behavior of confined water at the nanoscale has remarkable implications in a number of nanotechnological applications. In this work, we analyze the effect of water self-diffusion on the dynamic properties of a solvated gadolinium-based paramagnetic complex, typically used for contrast enhancement in magnetic resonance imaging. In particular, we examine the effect of silica-based nanostructures on water behavior in the proximity of the paramagnetic complex via atomistic simulations, and interpret the resulting tumbling dynamics in the light of the local solvent modification based on the Lipari–Szabo formalism and of the fractional Stokes–Einstein relation. It is found that the local water confinement induces an increased “stiffness” on the outer sphere of the paramagnetic complex, which eventually reduces its tumbling properties. These model predictions are found to explain well the relaxivity enhancement observed experimentally by confining paramagnetic complexes into porous nanoconstructs, and thus offer mechanistic guidelines to design improved contrast agents for imaging applications.
Recommended Journals

Main Group Metal Chemistry

Cement and Concrete Composites

Heterocyclic Communications

Construction and Building Materials

Journal of Physical Organic Chemistry

Advanced Powder Technology

Advanced Materials

Advances in Cement Research

Journal of Computer-Aided Molecular Design

Bio-Medical Materials and Engineering
Related Literature
Extended tunnelling states in the benzoic acid crystal: Infrared and Raman spectra of the OH and OD stretching modes
DOI: 10.1039/B609078H
An FT-IRRAS study of nitrophenyl mono- and multilayers electro-deposited on gold by reduction of the diazonium salt
Alejandra Ricci, Cecilia Bonazzola, Ernesto J. Calvo
DOI: 10.1039/B609497J
Onsager heat of transport for water vapour at the surface of water and ice: thermal accommodation coefficients for water vapour on a stainless-steel surface
Christopher J. Pursell, Leon F. Phillips
DOI: 10.1039/B608369B
The Ni2 + O2 reaction: the IR spectrum and structure of Ni2O2. A combined IR matrix isolation and theoretical study
Fayçal Allouti, Laurent Manceron, Mohammad Esmaïl Alikhani
DOI: 10.1039/B606248B
The heterogeneous kinetics of HOBr and HOCl on acidified sea salt and model aerosol at 40–90% relative humidity and ambient temperature
Pascal Pratte, Michel J. Rossi
DOI: 10.1039/B604321F
Lineshapes in carbon 1s photoelectron spectra of methanol clusters
M. Abu-samha, K. J. Børve, L. J. Sæthre, G. Öhrwall, H. Bergersen, T. Rander, O. Björneholm, M. Tchaplyguine
DOI: 10.1039/B516905D
Impedance spectroscopy of reduced monoclinic zirconia
Reinhard Kramer
DOI: 10.1039/B604396H
You might also like
How is Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) typically synthesized?
Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) can be synth...
What regulatory guidelines apply to 5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2)?
5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2) is subject to various regula...
What are the physical and chemical properties of (1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid (CAS: 223418-73-3)?
(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid is a white...
How should waste containing Sulfocostunolide A (CAS: 1016983-51-9) be handled?
Waste containing Sulfocostunolide A (CAS: 1016983-51-9) should be handled with c...
What precautions should be taken when handling Murraxocin (CAS: 88478-44-8)?
When handling Murraxocin (CAS: 88478-44-8), ensure proper personal protective eq...
What are the physical and chemical properties of Formvar (CAS: 63148-64-1)?
Formvar (CAS: 63148-64-1) is an alkyd resin characterized by a high molecular we...
Is (S)-4-benzyl-2-((benzyloxy)methyl)morpholine (CAS: 205242-66-6) safe?
(S)-4-benzyl-2-((benzyloxy)methyl)morpholine is generally safe when handled with...
What industries use Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3)?
Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3) is p...
Is 2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) safe?
2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) is generally con...
How is 3-(4-Bromophenyl)-2-methylpropanoic acid (CAS: 66735-01-1) typically synthesized?
3-(4-Bromophenyl)-2-methylpropanoic acid is synthesized through a multi-step pro...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.


![9,9'-Spirobi[fluoren]-2-amine structure 9,9'-Spirobi[fluoren]-2-amine structure](https://static.chemtradehub.com/structs/118/118951-68-1-0d14.webp)

![[2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid structure [2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid structure](https://static.chemtradehub.com/structs/870/870777-20-1-24ac.webp)