Polarity study of ionic liquids with the solvatochromic dye Nile Red: a QSPR approach using in silico VolSurf+ descriptors. Issue 23 (9th June 2016)
- Record Type:
- Journal Article
- Title:
- Polarity study of ionic liquids with the solvatochromic dye Nile Red: a QSPR approach using in silico VolSurf+ descriptors. Issue 23 (9th June 2016)
- Main Title:
- Polarity study of ionic liquids with the solvatochromic dye Nile Red: a QSPR approach using in silico VolSurf+ descriptors
- Authors:
- Paterno', Alessio
D'Anna, Francesca
Fortuna, Cosimo G.
Musumarra, Giuseppe - Abstract:
- Abstract: The in silico VolSurf+ descriptors, accounting for both cationic and anionic structural features of ionic liquids (ILs) were used to develop a Partial Least Squares (PLS) model able to establish a Quantitative Structure Property Relationship (QSPR) correlation with their solvatochromic dye Nile Red polarity. The PLS model allowed prediction of ENR values for 116 ILs providing an in silico ILs polarity database. Graphical abstract:
- Is Part Of:
- Tetrahedron. Volume 72:Issue 23(2016)
- Journal:
- Tetrahedron
- Issue:
- Volume 72:Issue 23(2016)
- Issue Display:
- Volume 72, Issue 23 (2016)
- Year:
- 2016
- Volume:
- 72
- Issue:
- 23
- Issue Sort Value:
- 2016-0072-0023-0000
- Page Start:
- 3282
- Page End:
- 3287
- Publication Date:
- 2016-06-09
- Subjects:
- Ionic liquids -- Polarity -- Nile Red -- QSPR
Chemistry, Organic -- Periodicals
547.005 - Journal URLs:
- http://www.elsevier.com/journals ↗
- DOI:
- 10.1016/j.tet.2016.04.056 ↗
- Languages:
- English
- ISSNs:
- 0040-4020
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - 8796.850000
British Library DSC - BLDSS-3PM
British Library STI - ELD Digital store - Ingest File:
- 7459.xml