Loading Dependent Structural Model of Polymeric Micelles by Solid-State NMR

2019 ◽  
Author(s):  
Ann-Christin Pöppler ◽  
Michael M Lübtow ◽  
Jonas Schlauersbach ◽  
Johannes Wiest ◽  
Lorenz Meinel ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Quantum Chemical ◽  
Structural Model ◽  
Polymeric Micelles ◽  
Molecular Level ◽  
Guest Molecules ◽  
Bulk Properties ◽  
Dissolution Properties ◽  
Poorly Soluble

Physically loaded polymeric micelles - from bulk properties to a molecular level understanding: In this work, solid-state NMR complemented by PXRD and quantum chemical calculations is used to learn about the short range order and structural arrangement in polymeric micelles formed by amphiphilic triblock copolymers. From changes in chemical shift and line widths, we could observe that at higher loadings, not just the micellar core but also the hydrophilic corona is involved in coordination of poorly soluble guest molecules, which can explain the poorer dissolution properties. This can serve as a platform for the future, targeted modification of such polymers. <br>

Loading Dependent Structural Model of Polymeric Micelles by Solid-State NMR

2019 ◽  
Author(s):  
Ann-Christin Pöppler ◽  
Michael M Lübtow ◽  
Jonas Schlauersbach ◽  
Johannes Wiest ◽  
Lorenz Meinel ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Quantum Chemical ◽  
Structural Model ◽  
Polymeric Micelles ◽  
Molecular Level ◽  
Guest Molecules ◽  
Bulk Properties ◽  
Dissolution Properties ◽  
Poorly Soluble

Physically loaded polymeric micelles - from bulk properties to a molecular level understanding: In this work, solid-state NMR complemented by PXRD and quantum chemical calculations is used to learn about the short range order and structural arrangement in polymeric micelles formed by amphiphilic triblock copolymers. From changes in chemical shift and line widths, we could observe that at higher loadings, not just the micellar core but also the hydrophilic corona is involved in coordination of poorly soluble guest molecules, which can explain the poorer dissolution properties. This can serve as a platform for the future, targeted modification of such polymers. <br>

scholarly journals Loading‐Dependent Structural Model of Polymeric Micelles Encapsulating Curcumin by Solid‐State NMR Spectroscopy

2019 ◽  
Vol 58 (51) ◽  
pp. 18540-18546 ◽  
Author(s):  
Ann‐Christin Pöppler ◽  
Michael M. Lübtow ◽  
Jonas Schlauersbach ◽  
Johannes Wiest ◽  
Lorenz Meinel ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Structural Model ◽  
Polymeric Micelles ◽  
Solid State Nmr Spectroscopy

Molecular level investigations of phosphate sorption on corundum (α-Al2O3) by 31P solid state NMR, ATR-FTIR and quantum chemical calculation

2013 ◽  
Vol 107 ◽  
pp. 252-266 ◽  
Author(s):  
Wei Li ◽  
Andro-Marc Pierre-Louis ◽  
Kideok D. Kwon ◽  
James D. Kubicki ◽  
Daniel R. Strongin ◽  
...  
Keyword(s):  
Solid State ◽  
Quantum Chemical Calculation ◽  
Solid State Nmr ◽  
Quantum Chemical ◽  
Molecular Level ◽  
Chemical Calculation ◽  
Phosphate Sorption ◽  
Α Al2o3

scholarly journals Synthesis, characterization and modeling of self-assembled porphyrin nanorods

2019 ◽  
Vol 23 (11n12) ◽  
pp. 1346-1354 ◽  
Author(s):  
Danielle Laurencin ◽  
Pascal G. Yot ◽  
Christel Gervais ◽  
Yannick Guari ◽  
Sébastien Clément ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Powder Diffraction ◽  
Solid State Nmr ◽  
Molecular Level ◽  
Ion Association ◽  
Free Base ◽  
X Ray ◽  
Solid State Nmr Spectroscopy

Porphyrin nanorods were prepared by ion-association between free-base meso 5,10,15,20-tetrakis-(4-[Formula: see text]-methylpyridinium)porphyrin cations and tetraphenylborate anions. The nanorods have variable lengths (up to a few micrometers long) and diameters ([Formula: see text]50–500 nm). Their structure at the molecular level was elucidated by combining multinuclear solid state NMR spectroscopy, synchrotron X-ray powder diffraction and DFT calculations.

Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Gerd Buntkowsky ◽  
Sonja Döller ◽  
Nadia Haro-Mares ◽  
Torsten Gutmann ◽  
Markus Hoffmann
Keyword(s):  
Solid State ◽  
Mesoporous Silica ◽  
Solid State Nmr ◽  
Role Models ◽  
Nmr Studies ◽  
Guest Molecules ◽  
Host Interactions ◽  
Functionalized Mesoporous Silica ◽  
Current Trends ◽  
Silica Materials

Abstract This review gives an overview of current trends in the investigation of confined molecules such as higher alcohols, ethylene glycol and polyethylene glycol as guest molecules in neat and functionalized mesoporous silica materials. All these molecules have both hydrophobic and hydrophilic parts. They are characteristic role-models for the investigation of confined surfactants. Their properties are studied by a combination of solid-state NMR and relaxometry with other physicochemical techniques and molecular dynamics techniques. It is shown that this combination delivers unique insights into the structure, arrangement, dynamical properties and the guest-host interactions inside the confinement.

Analysis of wild and farmed salmon using13C solid-state NMR and MRI directly on fillet tissue

2017 ◽  
Vol 9 (8) ◽  
pp. 1290-1296
Author(s):  
C. Totland ◽  
J. G. Seland ◽  
S. Steinkopf ◽  
W. Nerdal
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Molecular Level ◽  
Farmed Salmon

MRI and solid-state NMR can determine both macroscopic and molecular-level features of salmon by measuring directly on tissues.

Mechanochemical syntheses and 35Cl solid-state NMR characterization of fluoxetine HCl cocrystals

CrystEngComm ◽  
2018 ◽  
Vol 20 (20) ◽  
pp. 2780-2792 ◽  
Author(s):  
Austin A. Peach ◽  
David A. Hirsh ◽  
Sean T. Holmes ◽  
Robert W. Schurko
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Solid State Nmr ◽  
Molecular Level ◽  
Nmr Characterization ◽  
Fluoxetine Hcl

Novel mechanochemical syntheses of cocrystals of fluoxetine HCl are presented, along with characterization of the molecular-level structures by 35Cl solid-state NMR and DFT calculations.

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