Prediction of biodegradation rate constants of hydroxylated polychlorinated biphenyls by fungal laccases from Trametes versicolor and Pleurotus ostreatus
文献类型：期刊论文
| 作者 | Jiang, G. X.1; Niu, J. F.1; Zhang, S. P.1,2; Zhang, Z. Y.; Xie, B.3 |
| 刊名 | BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY
 |
| 出版日期 | 2008-07-01 |
| 卷号 | 81期号:1页码:1-6 |
| ISSN号 | 0007-4861 |
| 关键词 | hydroxylated PCBs QSARs laccases biodegradation |
| 其他题名 | Bull. Environ. Contam. Toxicol. |
| 中文摘要 | Quantitative structure-activity relationship (QSAR) models for fungal laccase-catalyzed degradation of different hydroxylated polychlorinated biphenyls (OH-PCBs) were developed using some fundamental quantum chemical descriptors. The cross-validated Q(cum)(2) values for the two optimal QSAR models are as high as 0.958 and 0.961 for laccases from Trametes versicolor and Pleurotus ostreatus, respectively, indicating good predictive abilities for laccase-catalyzed degradation of OH-PCBs. Results from this study show that increasing heat of formation (Delta H (f)) and frontier molecular orbital energy (i.e. E-LUMO + E-HOMO) values or decreasing frontier molecular orbital energy (i.e. EHOMO-1) and core-core repulsion energy (CCR) values leads to the increase of OH-PCB degradation rates by laccases. |
| 英文摘要 | Quantitative structure-activity relationship (QSAR) models for fungal laccase-catalyzed degradation of different hydroxylated polychlorinated biphenyls (OH-PCBs) were developed using some fundamental quantum chemical descriptors. The cross-validated Q(cum)(2) values for the two optimal QSAR models are as high as 0.958 and 0.961 for laccases from Trametes versicolor and Pleurotus ostreatus, respectively, indicating good predictive abilities for laccase-catalyzed degradation of OH-PCBs. Results from this study show that increasing heat of formation (Delta H (f)) and frontier molecular orbital energy (i.e. E-LUMO + E-HOMO) values or decreasing frontier molecular orbital energy (i.e. EHOMO-1) and core-core repulsion energy (CCR) values leads to the increase of OH-PCB degradation rates by laccases. |
| WOS标题词 | Science & Technology ; Life Sciences & Biomedicine |
| 类目[WOS] | Environmental Sciences ; Toxicology |
| 研究领域[WOS] | Environmental Sciences & Ecology ; Toxicology |
| 关键词[WOS] | STRUCTURE-PROPERTY RELATIONSHIPS ; ACUTE TOXICITY ; DEGRADATION ; PCBS ; HYDROCARBONS ; METABOLITES ; MEDIATORS ; KINETICS |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000257317600001 |
| 公开日期 | 2013-10-08 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/2774]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Beijing Normal Univ, Sch Environm, State Key Lab Water Environm Simulat, Beijing 100875, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, Natl Key Lab Biochem Engn, Beijing 100080, Peoples R China 3.Lund Univ, Ctr Chem, S-22100 Lund, Sweden |
| 推荐引用方式 GB/T 7714 | Jiang, G. X.,Niu, J. F.,Zhang, S. P.,et al. Prediction of biodegradation rate constants of hydroxylated polychlorinated biphenyls by fungal laccases from Trametes versicolor and Pleurotus ostreatus[J]. BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY,2008,81(1):1-6. |
| APA | Jiang, G. X.,Niu, J. F.,Zhang, S. P.,Zhang, Z. Y.,&Xie, B..(2008).Prediction of biodegradation rate constants of hydroxylated polychlorinated biphenyls by fungal laccases from Trametes versicolor and Pleurotus ostreatus.BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY,81(1),1-6. |
| MLA | Jiang, G. X.,et al."Prediction of biodegradation rate constants of hydroxylated polychlorinated biphenyls by fungal laccases from Trametes versicolor and Pleurotus ostreatus".BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY 81.1(2008):1-6. |
入库方式： OAI收割
来源：过程工程研究所
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