Geometries and energies of the ground and transition states of tautomers of the azo dye 5-amino-4-hydroxy-3-[(2-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid by the PM3 method

2000 ◽  
Vol 528 (1-3) ◽  
pp. 29-35 ◽  
Author(s):  
P. Desai ◽  
E. Coutinho
Keyword(s):  
Azo Dye ◽  
Transition States ◽  
Pm3 Method

Sterically Crowded Heterocycles. XI. A Semiempirical Prediction of Enantiomerization Barriers for Substituted (Z)-3-(Imidazo[1,2-a]pyridin-3-yl)-1-phenylprop-2-en-1-ones

1999 ◽  
Vol 64 (11) ◽  
pp. 1761-1769 ◽  
Author(s):  
Stanislav Böhm ◽  
Radek Pohl ◽  
Josef Kuthan
Keyword(s):  
Torsion Angle ◽  
Transition States ◽  
Heat Of Formation ◽  
Pm3 Method ◽  
Derivatives Of ◽  
Theoretical Procedure ◽  
Semiempirical Pm3 Method

Conformational behaviour and racemization paths of the parent skeleton are discussed using a threedimensional Φ,Ψ-energy map calculated by the semiempirical PM3 method. To restrain the number of possible racemization paths, a less sophisticated approach based on the PM3 heat of formation - torsion angle Φ relationships has been used for 5-substituted title molecules; the role of non-planar enantiomeric transition states is postulated. Plausibility of the simple theoretical procedure has been tested using two phenyl derivatives of the title compounds for which experimental barriers to racemization are accessible.

Effect of Nitrogen Sources on the AZO Dye Decolourization

2012 ◽  
Vol 2 (7) ◽  
pp. 424-426
Author(s):  
Suchita Dahiwade ◽  
◽  
Dr. A. O. Ingle Dr. A. O. Ingle ◽  
Dr. S. R. Wate Dr. S. R. Wate
Keyword(s):  
Azo Dye ◽  
Nitrogen Sources ◽  
Dye Decolourization

Determination of the food azo dye carmoisine vs chlorpheniramine maleate ion associate structure

2014 ◽  
Vol 0 (3(79)) ◽  
pp. 34-37
Author(s):  
A. S. Materiienko ◽  
V. O. Grudko ◽  
V. A. Khanin ◽  
V. A. Georgiyants
Keyword(s):  
Azo Dye ◽  
Chlorpheniramine Maleate ◽  
Ion Associate

Use of a sequencing batch biofilter for degradation of azo dyes (acids and bases)

2000 ◽  
Vol 42 (5-6) ◽  
pp. 329-336 ◽  
Author(s):  
M. Quezada ◽  
I. Linares ◽  
G. Buitrón
Keyword(s):  
Azo Dyes ◽  
Azo Dye ◽  
Degradation Rate ◽  
Removal Rate ◽  
Textile Effluent ◽  
Colour Removal ◽  
Substrate Degradation ◽  
Acids And Bases ◽  
Removal Efficiencies ◽  
Basic Red 46

The degradation of azo dyes in an aerobic biofilter operated in an SBR system was studied. The azo dyes studied were Acid Red 151 and a textile effluent containing basic dyes (Basic Blue 41, Basic Red 46 and 16 and Basic Yellow 28 and 19). In the case of Acid Red 151 a maximal substrate degradation rate of 288 mg AR 151/lliquid·d was obtained and degradation efficiencies were between 60 and 99%. Mineralization studies showed that 73% (as carbon) of the initial azo dye was transformed to CO2 by the consortia. The textile effluent was efficiently biodegraded by the reactor. A maximal removal rate of 2.3 kg COD/lliquid·d was obtained with removal efficiencies (as COD) varying from 76 to 97%. In all the cycles the system presented 80% of colour removal.

Enzymes Oxidizing the Azo Dye 1-Phenylazo-2-Naphthol (Sudan I) and their Contribution to its Genotoxicity and Carcinogenicity

2015 ◽  
Vol 15 (8) ◽  
pp. 829-840 ◽  
Author(s):  
Marie Stiborova ◽  
Heinz Schmeiser ◽  
Eva Frei ◽  
Petr Hodek ◽  
Vaclav Martinek
Keyword(s):  
Azo Dye ◽  
Sudan I

Theoretical Computations on the Pyrolysis of Alkyl (dithio)acetates

2020 ◽  
Vol 17 (3) ◽  
pp. 224-233
Author(s):  
Xun Zhu ◽  
Chen Jian ◽  
Xiuqin Zhou ◽  
Abdullah M. Asiri ◽  
Khalid A. Alamry ◽  
...  
Keyword(s):  
Transition States ◽  
Membered Ring ◽  
Pyrolysis Process ◽  
Alkyl Esters ◽  
Charge Distributions ◽  
Theoretical Analyses

The pyrolysis of methyl alkyl esters I to III and dithioesters IV to VI were theoretically calculated. All possible pyrolysis paths were considered. Both esters and dithioesters presented three potential paths via six-, four- and five-membered ring transition states, respectively. The calculation processes were calculated using MP2/6-31G(d) set. In-depth theoretical analyses were also presented, including NBO related analyses, synchronicities, and charge distributions, to reveal the detailed pyrolysis process.

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