| 1. |
- Haghighatpanah, Shayesteh, et al.
(author)
-
Molecular level computational studies of polyethylene and polyacrylonitrile composites containing single walled carbon nanotubes : effect of carboxylic acid functionalization on nanotube-polymer interfacial properties
- 2014
-
In: Frontiers in Chemistry. - : Frontiers Media S.A.. - 2296-2646. ; 2:74
-
Journal article (peer-reviewed)abstract
- Molecular dynamics and molecular mechanics methods have been used to investigate additive – polymer interfacial properties in single walled carbon nanotube – polyethylene and single walled carbon nanotube – polyacrylonitrile composites. Properties such as the interfacial shear stress and bonding energy are similar for the two composites. In contrast, functionalizing the single walled carbon nanotubes with carboxylic acid groups leads to an increase in these properties, with a larger increase for the polar polyacrylonitrile composite. Increasing the percentage of carbon atoms that were functionalized from 1% to 5% also leads to an increase in the interfacial properties. In addition, the interfacial properties depend on the location of the functional groups on the single walled carbon nanotube wall.
|
|
| 2. |
- Liang, Lijun, et al.
(author)
-
Computational studies of DNA sequencing with solid-state nanopores : Key issues and future prospects
- 2014
-
In: Frontiers in Chemistry. - : Frontiers Media S. A. - 2296-2646. ; 2:FEB
-
Journal article (peer-reviewed)abstract
- Owing to the potential use for real personalized genome sequencing, DNA sequencing with solid-state nanopores has been investigated intensively in recent time. However, the area still confronts problems and challenges. In this work, we present a brief overview of computational studies of key issues in DNA sequencing with solid-state nanopores by addressing the progress made in the last few years. We also highlight future challenges and prospects for DNA sequencing using this technology.
|
|
| 3. |
- Salminen, Eero, et al.
(author)
-
Alkaline ionic liquids applied in supported ionic liquid catalyst for selective hydrogenation of citral to citronellal
- 2014
-
In: Frontiers in Chemistry. - : Frontiers Media SA. - 2296-2646. ; 2
-
Journal article (peer-reviewed)abstract
- The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat) benzalkonium [ADBA] (alkyldimethylbenzylammonium) was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalkonium chloride, is a mixture of alkyldimethylbenzylammonium chlorides of various alkyl chain lengths and is commonly used in the formulation of various antiseptic products. The prepared ionic liquids were utilized as Supported Ionic Liquid Catalysts (SILCAs). Typically, a SILCA contains metal nanoparticles, enzymes, or metal complexes in an ionic liquid layer which is immobilized on a solid carrier material such as an active carbon cloth (ACC). The catalysts were applied in the selective hydrogenation of citral to citronellal which is an important perfumery chemical. Interestingly, 70% molar yield toward citronellal was achieved over a catalyst containing the alkaline ionic liquid benzalkonium methoxide.
|
|
