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

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>

Examination on Permittivity Estimation of Hydrocarbon-based Thermosetting Resin based on Quantum Chemical Calculation

2017 ◽  
Vol 137 (11) ◽  
pp. 626-631 ◽  
Author(s):  
Yuki Fuchi ◽  
Ryota Nakasako ◽  
Masahiro Kozako ◽  
Masayuki Hikita ◽  
Nobuhito Kamei
Keyword(s):  
Quantum Chemical Calculation ◽  
Quantum Chemical ◽  
Chemical Calculation ◽  
Thermosetting Resin
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