Molecular composition of recycled organic wastes,as determined by solid-state 13C NMR and elemental analyses

Using solid state ¹³C NMR data and elemental composition in a molecular mixing model, we estimated the molecular components of the organic matter in 16 recycled organic (RO) wastes representative of the major materials generated in the Sydney basin area. Close correspondence was found between the measured NMR signal intensities and those predicted by the model for all RO wastes except for poultry manure char. Molecular nature of the organic matter differed widely between the RO wastes. As a proportion of organic C, carbohydrate C ranged from 0.07 to 0.63, protein C from <0.01 to 0.66, lignin C from <0.01 to 0.31, aliphatic C from 0.09 to 0.73, carbonyl C from 0.02 to 0.23, and char C from 0 to 0.45. This method is considered preferable to techniques involving imprecise extraction methods for RO wastes. Molecular composition data has great potential as a predictor of RO waste soil carbon and nutrient outcomes.     

Combined molecular mechanics, molecular dynamics and quantum mechanical study of (+)-multifidene structure and conformation

Molecular mechanics, molecular dynamics and quantum mechanical tools have been used to explore the conformational space of (+)(3S,4S)-multifidene bioactive compounds. All the computations have been performed in the absence and presence of the solvent, simulated by the explicit introduction of a number of water molecules or by the polarized continuum model (PCM). Three conformational minima, both in vacuo and in water (simulated by PCM tool), have been confirmed at ab initio level of theory (B3LYP and MP2). All minima lie in a very narrow range of energy, and the interconversion between them is possible with a small amount of energy expense.     

印染废水混凝脱色技术的分子结构基础

印染废水的混凝脱色效果取决于染料分子的分子结构及其在水中的分子分散状态和染料的染色机制。大量研究结果表明，所选用的染料分子的分子结构决定了印染废水混凝脱色技术的混凝机制和混凝效果，合成絮凝剂与选择絮凝剂应充分考虑染料分子的分子结构与空间构型。     

Sulfate reducing bacterial community and in situ activity in mature fine tailings analyzed by real time qPCR and microsensor

Sulfate reducing bacteria(SRB) play significant roles in anaerobic environments in oil sands mature fine tailings(MFTs). Hydrogen sulfide(H2S) is produced during the biological sulfate reduction process. The production of toxic H_2S is one of the concerns because it may hinder the landscape remediation efficiency of oil sands tailing ponds. In present study, the in situ activity and the community structure of SRB in MFT and gypsum amended MFT in two settling columns were investigated. Combined techniques of H_2S microsensor and dissimilatory sulfite reductase β-subunit(dsrB) genes-based real time quantitative polymerase chain reaction(qPCR) were applied to detect the in situ H_2S and the abundance of SRB. A higher diversity of SRB and more H_2S were observed in gypsum amended MFT than that in MFT, indicating a higher sulfate reduction activity in gypsum amended MFT; in addition, the activity of SRB varied as depth in both MFT and gypsum amended MFT: the deeper the more H_2S produced. Long-term plans for tailings management can be assessed more wisely with the information provided in this study.     

Effect of ambient polycyclic aromatic hydrocarbons and nicotine on the structure of Aβ42 protein

● B[a]P, nicotine and phenanthrene molecules altered the secondary structure of Aβ₄₂. ● β-content of the peptide was significantly enhanced in the presence of the PAHs. ● Nicotine made stable cluster with Aβ₄₂ peptide via hydrogen bonds. ● Phenanthrene due to its small size, interfered with the Aβ₄₂ monomer more strongly. Recent studies have correlated the chronic impact of ambient environmental pollutants like polycyclic aromatic hydrocarbons (PAHs) with the progression of neurodegenerative disorders, either by using statistical data from various cities, or via tracking biomarkers during in-vivo experiments. Among different neurodegenerative disorders, PAHs are known to cause increased risk for Alzheimer’s disease, related to the development of amyloid beta (Aβ) peptide oligomers. However, the complex molecular interactions between peptide monomers and organic pollutants remains obscured. In this work, we performed an atomistic molecular dynamics study via GROMACS to investigate the structure of Aβ₄₂ peptide monomer in the presence of benzo[a]pyrene, nicotine, and phenanthrene. Interestingly the results revealed strong hydrophobic, and hydrogen-bond based interactions between Aβ peptides and these environmental pollutants that resulted in the formation of stable intermolecular clusters. The strong interactions affected the secondary structure of the Aβ₄₂ peptide in the presence of the organic pollutants, with almost 50 % decrease in the α-helix and 2 %–10 % increase in the β-sheets of the peptide. Overall, the undergoing changes in the secondary structure of the peptide monomer in the presence of the pollutants under the study indicates an enhanced formation of Aβ peptide oligomers, and consequent progression of Alzheimer’s disease.     

Synthesis of Molecular Imprinting Polymers Separating Toluic Acid Isomers (II)

Polymers that can separate toluic acid isomers were synthesized by molecular imprinting technique. Molecular imprinting polymers (MIPs) for each isomer of toluic acids (TA) were synthesized using styrene and 4-vinylpyridine (4-Vpy). The adsorption characteristics of TA isomers, salicylic acid (SA), and benzoic acid (BA) on each MIP were investigated. The materials used for polymerization of TA isomers MIPs were adsorbed relatively well. This verifies that the MIPs which can adsorb template selectively were synthesized. In addition, the quantities of adsorbed TA isomers on the TA isomers MIPs and on the control polymer polymerized without template were compared and discussed. The variation of adsorption ability for MIPs with repeated use was investigated, showing excellent reproducibility.     

水环境中病毒检测技术研究进展

综述了水环境病毒检测技术的研究进展。介绍了过滤法、吸附法、离心法、混凝法等水环境病毒富集方法的原理和优缺点;总结了基于聚合酶链式反应(PCR),包括巢式PCR、多重PCR、实时荧光定量PCR、细胞联合培养PCR和数字PCR,以及高通量测序等分子生物学技术在水环境病毒检测中的应用;指出了水环境中病毒检测技术当前存在的问题和未来发展方向,为水环境中病毒的检测与管控提供技术支撑。     

Alteration of acetylcholinesterase activity in Semele solida (MOLLUSCA: SEMELIDAE) as a biochemical response to coastal anthropogenic impact

Acetylcholinesterase (AChE) activity was analyzed as a molecular marker indicative of exposure to organophosphorus pesticide residues in individuals of the endemic clam species Semele solida in selected coastal locations of Chile's VIII Region. AChE activity was assayed in clams from (i) Penco Beach near the mouth of the Andalién River (Concepción Bay), (ii) Lenga Beach, near the mouth of the Lenga Estuary (San Vicente Bay), and (iii) Coliumo Beach, near the mouth of the Coliumo Estuary (Coliumo Bay). We also analyzed variations in protein content of clam hemolymph, and variability in the activity of AChE in relation to the sizes of the individual clams sampled. Collection of the clams was done using routine methods, during the spring of 2005, the period during which the use of pesticides is typically intensified in the surrounding forestry and agriculture. The results showed no significant correlation of AChE activity with either the size of the clam, or with the concentration of proteins in the hemolymph. The lowest AChE activity was observed in clams from mouth of the Andalién River (187.5 ± 34.9 Umin^?1) which was significantly less than that measured in specimens collected near the mouth of the Coliumo Estuary and the mouth of the Lenga Estuary. A very close relation was observed between the degree of anthropogenic inputs, ocean dynamics, and alterations in AChE activity in S. solida. This clam appears to be a useful indicator species, and AChE activity a sensitive marker for the presence of xenobiotics.     

Adsorption behavior of 17α-ethynylestradiol onto soils followed by fluorescence spectral deconvolution

In this study, a simple and rapid procedure for monitoring adsorption of 17α-ethynylestradiol (EE2) onto soil samples was developed. The used method is based on a multiwavelength fluorescence spectral deconvolution (FSD) where the emission fluorescence spectrum of a sample is considered as a linear combination of emission spectra, named reference spectra. The combination of the reference spectra allows the restitution of the shape of the emission spectrum of any unknown sample. This approach was applied to follow EE2 adsorption onto four soil samples and is an easy and low cost alternative.Adsorption experimental data showed a good fit with the Hill equation, mathematically equivalent to the Langmuir-Freundlich model assuming that the adsorption is a cooperative process influenced by adsorbate-adsorbate interactions. Molecular modelling studies clearly support the “co-operative adsorption” model, showing that after the adsorption of the first layer of EE2 molecules onto the soil, at least one more layer of EE2 is adsorbed, due to interactions established with the first adsorbed layer. Notwithstanding, packing a third row would imply interactions between two EE2 molecules that differ from the ones verified in the lowest energy structure, which also explains the plateau achieved in the adsorption curve.