芳香羧酸衍生物驱避剂的非线性定量构效关系

【目的】驱避剂可使害虫不敢接近受用者从而保护受用者免遭其害。建立高精度、可解释性强的非线性定量构效关系(quantitative structure activity relationship, QSAR)模型对设计合成新的高效昆虫驱避剂有重要意义。【方法】基于37个芳香羧酸类化合物对家蝇Musca domestica的驱避活性,以量子化学计算软件PCLIENT获取每一化合物初始描述符,以二元矩阵重排过滤器、多轮末尾淘汰实施特征非线性筛选,以支持向量回归(support vector regression, SVR)建立非线性QSAR模型,以SVR非线性解释体系分析各保留描述符对驱避活性的影响。【结果】1 542个初始描述符的SVR模型F=1.2,特征筛选后6个保留描述符的SVR模型F=184.6,特征筛选对QSAR模型精度有重要影响。6个保留分子描述符的重要性依次为p4BCD>GATS7v>T(O..O)> JGI8>SssO>nArCONR2。【结论】保留描述符与芳香羧酸类化合物对家蝇驱避活性的非线性关系明显,获得了高精度、普适性强的非线性SVR-QSAR模型。     

Genetic screening of Lactobacillus sakei and Lactobacillus curvatus strains for their peptidolytic system and amino acid metabolism, and comparison of their volatilomes in a model system

A total of 51 Lactobacillus sakei and 28 Lactobacillus curvatus strains from different origins were screened for their potential to produce biogenic amines (BAs), and for their diversity of peptidolytic systems and specific aminotransferases (AraT, BcaT) that initiate amino acid conversion to volatiles relevant for aroma formation in meat products. The profiles of volatiles formed (volatilomes) were analysed in the headspace of fermentations by solid phase microextraction followed by GC-MS analysis. Tyramine-forming potential was detected only within L. curvatus and was strain-dependent. Histamine decarboxylase (HDC) activity could only be detected in one L. sakei strain, previously described as histidine decarboxylase positive (HDC⁺). Peptide transporters and peptidases were nearly ubiquitous in L. sakei and only a few strains lacked single peptidases. In L. curvatus, differences were detected in the occurrence of peptidase genes detected with PCR primers derived from L. sakei. All strains lacked known aminotransferases specific for branched-chain amino acids (BCAAs) and aromatic amino acids (ACAAs). Although L. sakei is suggested as a genetically very heterogenous species, and relatedness between L. curvatus and L. sakei at the genomic level is rather low, they appeared to be nearly uniform in the genes forming the peptidolytic system. The volatilomes of L. sakei and L. curvatus strains were qualitatively nearly identical. However, slight differences in the formation of single volatile compounds and the interaction with staphylococci may impact upon sausage fermentation which occurs over a period of many weeks. Among the compounds expected to contribute to the aroma were dimethyldisulphide, 3-methyl-1-butanol, acetic acid, 1-butanol and butanoic acid.     

接种功能内生细菌Diaphorobacter sp.Phe15减少蔬菜亚细胞菲积累的体外试验研究

[目的]土壤中的多环芳烃(polycyclic aromatic hydrocarbons, PAHs)可被蔬菜根系吸收并在可食部分积累进而通过食物链威胁人群健康。接种功能内生细菌能有效减低蔬菜中PAHs的积累,而关于其对蔬菜亚细胞组分中PAHs积累的影响却鲜有报道。[方法]采用体外实验,研究了接种具有菲降解功能的菌株Diaphorobacter sp. Phe15对空心菜茎叶亚细胞组分中菲积累的影响及PAHs代谢相关酶活性的响应。[结果]接种Phe15可以可加速空心菜茎叶亚细胞中菲的降解,显著削减空心菜亚细胞组分中菲的含量,接菌后空心菜亚细胞组分中菲降解率达90%以上。此外,接种功能菌Phe15可以影响空心菜亚细胞组分中PAHs代谢相关酶系的活性,空心菜亚细胞水平POD、PPO、C230活性整体得到提高,且酶系活性与空心菜体内菲积累呈负相关关系。[结论]接种具有菲降解功能的菌株Phe15增加了空心菜亚细胞水平PAHs代谢相关酶系活性,进而降低空心菜体内菲的积累,研究结果为利用功能内生细菌削减蔬菜中多环芳烃污染提供了一定的参考和理论依据。     

Degradation of anthracene by selected white rot fungi

Abstract Approximately 60% of the originally supplied anthracene (AC) was degraded in ligninolytic stationary cultures of selected white rot fungi within 21 days. All the white rot fungi tested oxidized AC to anthraquinone (AQ). Unlike Phanerochaete chrysosporium and strain Px, with Pleurotus ostreatus, Coriolopsis polyzona and Trametes versicolor , AQ did not accumulate in the cultures, indicating that AQ was degraded further and its degradation did not appear to be a rate-limiting step. However, P. ostreatus and C. polyzona failed to degrade AQ in the absence of AC. P. ostreatus, T. versicolor and strain Px did not produce lignin peroxidase (ligninase) (LIP) under the test conditions but oxidized AC to AQ suggesting that white rot fungi produce enzyme(s) other than LIP capable of oxidizing compounds with high ionization potential like AC. Moreover, in the case of Ph. chrysosporium and C. polyzona , AC degradation started earlier than the production of LIP. Veratryl alcohol (VA) seemed to be playing a role in AC oxidation catalyzed by LIP in Ph. chrysosporium .     

Molecular characterization of dioxygenases from polycyclic aromatic hydrocarbon-degrading Mycobacterium spp

Polycyclic aromatic hydrocarbon (PAH)-degrading genes nidA and nidB that encode the alpha and beta subunits of the aromatic ring-hydroxylating dioxygenase have been cloned and sequenced from Mycobacterium vanbaalenii PYR-1 [Khan et al., Appl. Environ Microbiol. 67 (2001) 3577-3585]. In this study, the presence of nidA and nidB in 12 other Mycobacterium or Rhodococcus strains was investigated. Initially, all strains were screened for their ability to degrade PAHs by a spray plate method, and for the presence of the dioxygenase Rieske center region by polymerase chain reaction (PCR). Only Mycobacterium sp. PAH 2.135 (RJGII-135), M. flavescens PYR-GCK (ATCC 700033), M. gilvum BB1 (DSM 9487) and M. frederiksbergense FAn9T (DSM 44346), all previously known PAH degraders, were positive in both tests. From the three positive strains, complete open reading frames of the nidA and nidB genes were amplified by PCR, using primers designed according to the known nidA and nidB sequences from PYR-1, cloned in the pBAD/Thio-TOPO vector and sequenced. The sequences showed >98% identity with the M. vanbaalenii PYR-1 nidA and nidB genes. Southern DNA-DNA hybridization using nidA and nidB probes from PYR-1 revealed that there is more than one copy of nidA and nidB genes in the strains PYR-1, BB1, PYR-GCK and FAn9T. However, only one copy of each gene was observed in PAH2.135.     

Isolation and characterization of a white rot fungus <Emphasis Type="Italic">Bjerkandera</Emphasis> sp. strain capable of oxidizing phenanthrene

Strain BOL13 was selected from 18 fungal strains isolated from an oil-spill contaminated site in Oruro, Bolivia. It was identified as a basidiomycete with high homology to Bjerkandera. The fungus degraded 100 mg phenanthrene l⁻¹ at 0.17 mg l⁻¹ d⁻¹ at 30 °C at pH 7. During phenanthrene degradation, a maximum manganese peroxidase activity of 100–120 U l⁻¹ was measured after 10 days of incubation. The ability of Bjerkandera sp. to produce lignin-modifying enzymes and to oxidize phenanthrene under various pH and temperature conditions was confirmed.     

Toxicity to T etrahymena and abiotic thiol reactivity of aromatic isothiocyanates

Toxicity (1/IGC₅₀) in the Tetrahymena population growth assay and reactivity (1/EC₅₀) with the thiol moiety of the cysteine residue of glutathione (GSH) were determined for a series of aromatic isothiocyanates (NCSs). Comparison of both toxicity and reactivity between the analogues revealed that derivatives with the NCS-moiety attached directly to an aromatic ring (e.g., phenyl derivatives) are less toxic and less reactive than those with the NCS attached to an aliphatic carbon (e.g., benzyl derivatives). These differences in potency are hypothesized to relate to difference in the ease of the Michael reaction, the proposed molecular mechanism. 1,4-Phenylene diisothiocyanate is more toxic and more reactive than its mono-NCS homologue. While there is good predictivity for the phenyl and naphthyl derivatives with the model log(1/IGC₅₀) = 0.545(log K _ow) + 16.21A _max – 5.91, based on the 1-octanol/water partition coefficient (K _ow) and maximum acceptor superdelocalizability (A _max), toxicity of the other derivatives, which are outside the structural domain of the model training set, are poorly fitted. Owing to hydrolysis, the benzoyl, and cinnamyl analogues are less toxic than predicted by their thiol reactivity; however, the toxicity of the remaining compounds is modeled by the relationship log(1/IGC₅₀) = 1.77 [log (1/EC₅₀)] + 0.60; n = 12, s = 0.34, r ² = 0.718, q ² = 0.629, F = 26.     

Blue cotton, Blue Rayon and Blue Chitin in the analysis of heterocyclic aromatic amines--a review

Heterocyclic amines (HCAs) are a group of compounds formed when protein-rich foods, such as meat or fish, are prepared under normal cooking conditions, such as frying, grilling, or broiling. To evaluate and estimate the risks associated with HCAs contained in the diet, it is important to determine the levels in cooked foods, and the levels of HCAs and metabolites in the body. HCAs are normally found at low amounts in a complex matrix, which necessitates a good purification method and a sensitive detection system. The objective of this review was to briefly present the current knowledge on the use of Blue Cotton, Blue Rayon and Blue Chitin in the analysis of HCAs.     

Effects of cyclodextrins, humic substances, and rhamnolipids on the washing of a historically contaminated soil and on the aerobic bioremediation of the resulting effluents

Nontoxic and biodegradable pollutant-mobilizing agents, instead of chemical surfactants, were tested in the washing of an actual-site chloroaromatic-contaminated soil. A soil historically contaminated by chlorinated anilines and benzenes, thiophenes and several polycyclic aromatic hydrocarbons was subjected to washing by suspending it (15% w/v) in water or in water with 1.0% (w/v) beta-clodextrin (beta-CD), hydroxypropyl-beta-cyclodextrin (HP-beta-CD), rhamnolipid (RL), dissolved humic substances (HS), or Triton X-100 (TX) in shaken batch reactors for 24 hr. The resulting wastewaters were amended with nutrients and treated aerobically in shaken reactors for 65 days. The biogenic agents markedly enhanced (by 237%, beta-CD; 265%, HP-beta-CD; 400%, RL; 566%, HS) the capability of water of eluting organic pollutants from the soil. TX enhanced the overall pollutant removal by about 660%; however, a lower depletion of the initial soil ecotoxicity, along with a more extensive impact on the soil organic matter, was observed. Furthermore, TX adversely affected the bioremediation of the resulting effluent by apparently inducing a premature decrease of specialized bacterial biomass. By contrast, the biogenic agents, and in particular HS and RL, sustained the biodegradation and dechlorination of pollutants by apparently enhancing the availability of specialized bacteria in the reactors. Thus, the biogenic agents proposed here seem to be promising nontoxic and nonaggressive soil washing agents for the integrated physicochemical (washing) and biological (aerobic posttreatment) restoration of poorly bioremediable (chloro) organics-contaminated soils.