A review of QSAR for dye affinity for cellulose fibres

S Timofei, W Schmidt, L Kurunczi, Z Simon - Dyes and Pigments, 2000 - Elsevier
The structure of cellulose fibre is discussed in relation to the relevance of the ligand–
receptor concept for dye–fibre binding. An outline of qualitative SAR (structure–activity …

Sandalwood-derived carbon quantum dots as bioimaging tools to investigate the toxicological effects of malachite green in model organisms

D Shukla, M Das, D Kasade, M Pandey, AK Dubey… - Chemosphere, 2020 - Elsevier
Malachite green is an N-methylated diaminophenylmethane dye that has generated much
concern over its suggestive carcinogenic nature. After its excessive use in aquaculture …

Review of quantitative structure‐activity/property relationship studies of dyes: recent advances and perspectives

F Luan, X Xu, H Liu, MNDS Cordeiro - Coloration Technology, 2013 - Wiley Online Library
Dyes have been applied and are playing an increasingly important role in many industries,
including the textile, printing, medical and energy industries. Their wide applications imply …

[PDF][PDF] Developments in dyestuff chemistry

HS Freeman, J Sokolowska - Review of Progress in Coloration and …, 1999 - sdc.org.uk
The aim of this paper is to provide a summary of recent developments in the design and
synthesis of organic colorants and to use that information to anticipate future directions in …

Spectroscopic studies of the intermolecular interactions of Congo red and tinopal CBS with modified cellulose fibers

SB Yamaki, DS Barros, CM Garcia, P Socoloski… - Langmuir, 2005 - ACS Publications
The adsorption of Congo red and tinopal CBS dyes on cellulose fibers was investigated
using electronic absorption and fluorescence spectroscopies. Hydrogen bonds appear to be …

Modelling heterocyclic azo dye affinities for cellulose fibres by computational approaches

S Funar-Timofei, WMF Fabian, L Kurunczi… - Dyes and …, 2012 - Elsevier
Textile dyeing has economical and ecological implications. Our application of QSAR
techniques to dye–cellulose binding is based on the hypothesis of specific dye–fibre …

A chemometric approach to understanding the bioelimination of anionic, water-soluble dyes by a biomass using empirical and semi-empirical molecular descriptors

AJ Greaves, JH Churchley, MG Hutchings, DAS Phillips… - Water Research, 2001 - Elsevier
Single correlation and multiple linear regression analyses have been applied to understand
the bioelimination of 103 anionic, water-soluble dyes by a biomass at a wastewater …

GRID formalism for the comparative molecular surface analysis: Application to the CoMFA benchmark steroids, azo dyes, and HEPT derivatives

J Polanski, R Gieleciak, T Magdziarz… - Journal of chemical …, 2004 - ACS Publications
Shape analysis is a powerful tool in chemistry and drug design, and molecular surface
defines shape in the molecular scale. In the current publication we presented a novel …

Comparative Molecular Surface Analysis (CoMSA) for Modeling Dye− Fiber Affinities of the Azo and Anthraquinone Dyes

J Polanski, R Gieleciak… - Journal of chemical …, 2003 - ACS Publications
Despite recent investigations aimed at modeling 3D QSAR for dye molecules a controversy
still exists: can a pharamacophore hypothesis be used for such purposes. In the present …

QSAR studies of disperse azo dyes. Towards the negation of the pharmacophore theory of dye-fiber interaction?

TI Oprea, L Kurunczi, S Timofei - Dyes and pigments, 1997 - Elsevier
Twenty-seven disperse azo dyes were analyzed using Quantitative Structure-Activity
Relationship (QSAR) methods by correlating variations in the chemical structure with—Δμ° …