Design of dyes of high technical properties for silk by a chemometric approach

Giorgi, M.Rita De; Carpignano, Rosarina

doi:10.1016/0143-7208(95)00071-2

Cited by 17 publications

(10 citation statements)

References 5 publications

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“…In the field of QSAR studies, De Giorgi and Carpignano selected 10 and successively synthesised a further three dyes with the aim of identifying the structures most favourable for fastness properties in a series of acid azo dyes (see Figure ) for silk. Fastness data were modelled as a function of structure by the PLS method for wash fastness and light fastness.…”

Section: Quantitative Structure‐activity/property Relationship Studiementioning

confidence: 99%

“…General structure of acid azo dyes studied by De Giorgi and Carpignano , where X 1 and X 2 are typical groups used in aromatic substitution, and COP represents a naphtholsulphonic acid moiety…”

Section: Quantitative Structure‐activity/property Relationship Studiementioning

confidence: 99%

“…A linear equation between the N=N bond length and the absorption wavelength was developed, with r 2 = 0.90 and RMS error = 12.6 nm. When the Laplacian and ellipticity of electron density are added to the equation, the error of N N COPX General structure of acid azo dyes studied by De Giorgi and Carpignano[64], where X 1 and X 2 are typical groups used in aromatic substitution, and COP represents a naphtholsulphonic acid moiety 4 Y X = H, Cl, Br, CH 3 , Ph, COPh, NHCOPh, SPr Y, Z = H, OH, CNFigure 9…”

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

Luan

Liu

et al. 2013

Coloration Technology

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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 that specific dyes possessing given properties need to be effectively designed. The present review aims to survey information related to activity/property research of dyes that has been published in the past two decades. Emphasis is laid particularly on studies based on quantitative structure–activity/property relationships that have contributed to the theoretical design and application of dyes. Finally, the perspectives of quantitative structure‐activity/property relationship studies are set out in order to show how this method may be used to design new dyes and to evaluate their different properties. The challenges facing these studies are also outlined.

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Section: Quantitative Structure‐activity/property Relationship Studiementioning

confidence: 99%

Section: Quantitative Structure‐activity/property Relationship Studiementioning

confidence: 99%

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confidence: 99%

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

Luan

Liu

et al. 2013

Coloration Technology

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“…After 1995, the development of robust numerical methods, [2] in particular the computercontrolled derivative spectrophotometry, [10][11][12][13][14] the H-point standard addition method [15,16] and multivariate calibration, [1,[17][18][19][20] have made spectrophotometric determination of analytes possible. It is, however, possible to chemometrically monitor the decolorization kinetics of one dye when a mixture of three dyes is treated by ozonation.…”

Section: Introductionmentioning

confidence: 99%

Order of Photocatalytic Degradation as Ranked by Critical Photonic Times (CPTs) Indicates the Composition of Organic Dye Mixtures: Selectivity of Hydroxyl Radicals

Shigwedha

Hua

Chen

2006

Journal of Environmental Science and Health, Part A

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A simple critical photonic time (CPT) ranking method for the simultaneous determination of known organic dyes in the industrial wastewater of different concentrations was developed. A kinetic-measure, CPT theory, was developed to discriminate between the dyes in the textile effluent solution. The CPTs were calculated and ranked 1-4 from the smallest to the largest. The ranks indicate the order in which the individual dyes in the effluents were photocatalytically degraded. The described procedure allowed us to monitor the decolorization kinetics of the dyes in mixtures of different concentrations, when subjected to immobilized TiO2 photocatalysis in the presence of H2O2 from the start (H2O2FS). The outcome of hydroxyl radical (HO*) attack was consistently specific and regioselective for the individual dyes in the textile effluent. To explain the effect of HO*, the order of degradation of Acid Orange 52 < Acid Yellow 36 < Acid Red 17 < Acid Blue 45 < polyvinyl alcohol (PVA) was inferred.

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“…The two models were based on 10 acid azo dyes in the training set and evaluated with three acid azo dyes in the test set. 20 After that work, De Giorgi et al further developed a four-component model for wet fastness and a three-component model for light fastness from eight disperse dyes containing thiadiazole azo. The two QSPRs were evaluated with three disperse dyes.…”

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confidence: 99%

Support vector machine classification model for color fastness to ironing of vat dyes

Wang

2021

Textile Research Journal

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Investigations of quantitative relationships between structure and color fastness of dyes are crucial in seeking novel dyes. For the first time, this work reported a classification model based on a quantitative structure–property relationship to predict color fastness to ironing of vat dyes. By performing binary classification analysis based on a support vector machine (SVM) and genetic algorithm, 56 vat dyes in the training set together with seven molecular descriptors were used to develop the classification model, which was validated with 59 vat dyes in the test set. The optimal SVM model ( C = 208.465 and γ = 5.9692) possesses overall accuracy of 91.1% for the training set and 83.1% for the test set, which is more accurate than those from the binary logistic regression model (87.5% and 81.4%, respectively). Furthermore, the mechanism of molecular descriptors correlated with color fastness to ironing of vat dyes is discussed.

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Design of dyes of high technical properties for silk by a chemometric approach

Cited by 17 publications

References 5 publications

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

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

Order of Photocatalytic Degradation as Ranked by Critical Photonic Times (CPTs) Indicates the Composition of Organic Dye Mixtures: Selectivity of Hydroxyl Radicals

Support vector machine classification model for color fastness to ironing of vat dyes

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