A QSBR development procedure for aromatic xenobiotic degradation by unacclimated bacteria

Okey, Robert W.; Stensel, H. David

doi:10.2175/wer.65.6.10

Cited by 19 publications

(6 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Okey and Stensel developed QSBR procedure for aromatic xenobiotic degradation by unacclimated bacteria and acclimation was observed to be the function of many uncontrollable factors which includes the tendency of a organic to be toxic, its concentration, temperature, moisture and presence of other substrates 82 . The multilayer perceptron (MLP) which is the application of the principal neural network architecture, have been developed for obtaining sufficient quantitative structurebinding relationships for a dataset of 17 barbiturates as guests complexing to α-and β-cyclodextrins 83 and the results compared to that of earlier study that investigated the same problem using multiple regression analysis 84 .…”

Section: Qsar For Biodegradability Predictionmentioning

confidence: 99%

Computer Aided Pesticide Design: A Rational Tool for Supplementing DDT Lacunae

2014

Chem Sci Trans

View full text Add to dashboard Cite

Abstract:The reliance of mankind on synthetic pesticide, particularly dichloro diphenyl-trichloro ethane (DDT) reached its zenith during 1950s-60s, since the first application during second world War. But very soon it faced a serious scientific opposition due to its bio-magnifying nature and was banned in 1970s in most part of world with certain exceptional usage in health control programmes. Although, the pesticidal activity range and economic viability of DDT has never been questioned and still there are several voices to bring back DDT. To answer this controversy is the search for new DDT like pesticide with similar pesticidal efficacy and lower ecological accumulative effects. Recent advances in computer aided molecular design has provided us very robust, economic and time and labour saving tool to design and develop new chemical entities with pesticidal activity similar to DDT and has good commercial prospects as well. The present paper reviews the brief history of DDT and the developments in computational and molecular design methods to rejuvenate the era of new pesticide research.

show abstract

Section: Qsar For Biodegradability Predictionmentioning

confidence: 99%

Computer Aided Pesticide Design: A Rational Tool for Supplementing DDT Lacunae

2014

Chem Sci Trans

View full text Add to dashboard Cite

show abstract

“…It would not be feasible to study their biodegradations one by one using such complex systems and methods. Moreover, quantitative structure biodegradability relationships can simulate and forecast the biodegradation of organic compound rapidly and effectively [20].…”

Section: Biodegradation Kinetics Of Paesmentioning

confidence: 99%

Study of biodegradation properties of phthalate esters in aqueous culture conditions

Wan

2006

J. Synthetic Lubrication

View full text Add to dashboard Cite

Several kinds of esters are widely used in synthetic lubricants. The evaluation of their influence on the environment is a matter of considerable interest. This paper studies the ultimate aerobic biodegradation of several phthalates, such as dimethyl phthalate (DMP), diethyl phthalate (DEP), di-n-butyl phthalate (DBP), di-n-octyl phthalate (DOP) and di(2-ethylhexyl) phthalate (DEHP), and their degrading kinetics by quantitative assessment of the carbon dioxide produced. The production of CO 2 was chosen as the evaluation parameter to determine the biodegradability of phthalates in aqueous solution. A kinetic model was established to describe the biodegradation process of phthalates. The results indicated that biodegradation of phthalates followed the first-order kinetic equation; the rate constant (k b ) of biodegradation decreased as the carbon number of the alkyl chain increased, and linear phthalates had better biodegradability than branch phthalate. When the initial concentration was over 200 mg/L, a lag phase was evident during the degradation of phthalates, which was prolonged with increased carbon number in the alkyl chain. Easily biodegradable organics, such as glucose, had a favorable effect on the aerobic biodegradation of phthalates.

show abstract

“…[6][7][8], and oxygen insertion (nos. 7,9,10). Noteworthy is the fact that 1,1,2-trichloroethane (no.…”

Section: Pls Modeling Of the Ppg Datamentioning

confidence: 99%

Multivariate QSBR Modeling of Biodehalogenation Half-Lives of Halogenated Aliphatic Hydrocarbons

Eriksson

Jönsson

Tysklind

1995

Environ Toxicol Chem

View full text Add to dashboard Cite

Multivariate quantitative structure-biodegradability relationships (QSBRs) were developed for a series of 20 halogenated aliphatic hydrocarbons investigated for their microbial biodehalogenation (expressed as half-lives). These QSBRs are based on a battery of quantum-chemical descriptors and the use of the multivariate data analytical techniques principal component analysis (PCA) and partial least-squares projections to latent structures (PLS). The developed models are introduced and discussed from a multivariate data analytical perspective, and much emphasis is placed on the elucidation of the predictive significance of the developed relationships. It is shown that multivariate QSBRs can be formulated for three sets of microorganisms and compounds. These QSBRs can be used to predict biodehalogenation properties for yet untested compounds.

show abstract

A QSBR development procedure for aromatic xenobiotic degradation by unacclimated bacteria

Cited by 19 publications

References 27 publications

Computer Aided Pesticide Design: A Rational Tool for Supplementing DDT Lacunae

Computer Aided Pesticide Design: A Rational Tool for Supplementing DDT Lacunae

Study of biodegradation properties of phthalate esters in aqueous culture conditions

Multivariate QSBR Modeling of Biodehalogenation Half-Lives of Halogenated Aliphatic Hydrocarbons

Contact Info

Product

Resources

About