What is the optimal cutoff surface for ore bodies with more than one mineral?

In mine planning problems, cutoff grade optimization defines a threshold at every time period such that material above this value is processed, and the rest is considered waste. In orebodies with multiple minerals, which occur in practice, the natural extension is to consider a cutoff surface. We show that in two dimensions the optimal solution is a line, and in n dimensions it is a hyperplane.     

Engineering nanostructures of CuO-based photocatalysts for water treatment: Current progress and future challenges

Nowadays, increasing extortions regarding environmental problems and energy scarcity have stuck the development and endurance of human society. The issue of inorganic and organic pollutants that exist in water from agricultural, domestic, and industrial activities has directed the development of advanced technologies to address the challenges of water scarcity efficiently. To solve this major issue, various scientists and researchers are looking for novel and effective technologies that can efficiently remove pollutants from wastewater. Nanoscale metal oxide materials have been proposed due to their distinctive size, physical and chemical properties along with promising applications. Cupric Oxide (CuO) is one of the most commonly used benchmark photocatalysts in photodegradation owing to the fact that they are cost-effective, non-toxic, and more efficient in absorption across a significant fraction of solar spectrum. In this review, we have summarized synthetic strategies of CuO fabrication, modification methods with applications for water treatment purposes. Moreover, an elaborative discussion on feasible strategies includes; binary and ternary heterojunction formation, Z-scheme based photocatalytic system, incorporation of rare earth/transition metal ions as dopants, and carbonaceous materials serving as a support system. The mechanistic insight inferring photo-induced charge separation and transfer, the functional reactive radical species involved in a photocatalytic reaction, have been successfully featured and examined. Finally, a conclusive remark regarding current studies and unresolved challenges related to CuO are put forth for future perspectives.     

A switchable ionic liquid with polarity swing-assisted regeneration properties used for the preconcentration of cadmium in biological samples

In the present study the cadmium (Cd) was determined in serum samples of psoriatic patients. The severity of psoriasis was evaluated according to criteria based on standard clinical diagnosis using Psoriasis Area Severity Index (PASI) score. In present study, an innovative tunable green solvent system based microextraction (TSS-ME) was applied for the enrichment of Cd in acid digested serum samples prior to determination with flame atomic absorption spectrometry. The hydrophobic complex of Cd-ammonium pyrrolidine thiocarbamate was extracted in a tunable solvent system which was prepared from a polybasic amine (N, N, N′, N′-tetramethyl-1, 4-diaminobutane), decanol and water system. The tunable green solvent system (TSS) which has zero ionic strength was converted to homogeneous monophasic polar hydrophilic phase via exposure to CO₂ at different pressure and time duration. Then hydrophobic enriched Cd- ammonium pyrrolidine thiocarbamate was back extracted, using HNO₃ (0.1 to 0.5 mol L⁻¹) then the second round of TSS-ME was applied. The acidic aqueous phase enrich with analyte was separated from tunable solvent. The separated TSS was easily reused for up to 10 time for preconcentration purposes without loss of its enrichment character. The smoker and nonsmoker psoriatic patients at PASI >10, have two to three folds higher Cd levels in serum samples than healthy persons.     

沿海石化基地对地方生态环境补偿的科学基础与系统框架

生态文明建设既需要产业自身绿色发展,又需要利益调节,实现规模性达标排放行业与地方和谐.沿海石化基地既是中国能源与化学工业的集聚地,更是各类规模性达标三废集中排放区域,为此生态文明的地方实践要务就是推进石化基地对地方生态环境补偿.因此系统分析指导中国石化集聚区对地方生态补偿的外部性、公共物品、可持续发展、绿色GDP、博弈论等理论,构建宏观层次的生态环境补偿原则与补偿程序、中观层次的利益主体参与式的补偿运行机制,以及微观层次企业、居民、多层政府协商的生态环境补偿完善机制,并总结国内外实践经验,可以为地方践行生态文明理念、创新生态发展模式提供理论指导.     

Polyketide Synthase-Mediated O-Methyloxime Formation in the Biosynthesis of the Oximidine Anticancer Agents

Bacterial trans-acyltransferase polyketide synthases (trans-AT PKSs) are modular megaenzymes that employ unusual catalytic domains to assemble diverse bioactive natural products. One such PKS is responsible for the biosynthesis of the oximidine anticancer agents, oxime-substituted benzolactone enamides that inhibit vacuolar H⁺-ATPases. Here, we describe the identification of the oximidine gene cluster in Pseudomonas baetica and the characterization of four novel oximidine variants, including a structurally simpler intermediate that retains potent anticancer activity. Using a combination of in vivo, in vitro and computational approaches, we experimentally elucidate the oximidine biosynthetic pathway and reveal an unprecedented mechanism for O-methyloxime formation. We show that this process involves a specialized monooxygenase and methyltransferase domain and provide insight into their activity, mechanism and specificity. Our findings expand the catalytic capabilities of trans-AT PKSs and identify potential strategies for the production of novel oximidine analogues.     

龙门山地区水系沉积物中铀含量分布特征

铀元素是具有毒性和放射性的锕系元素之一,对区域环境和人体健康具有极大的危害,开展铀元素污染评价具有重要的现实意义。以龙门山地区主要水系为主要研究对象,采集了大量的水系沉积物样品,对该地区的铀元素分布特征进行了研究。研究表明,大渡河水系沉积物中铀平均质量分数为5.50 mg/kg,绵远河水系沉积物中的铀平均质量分数为3.07 mg/kg,其余河流水系沉积物中铀含量均较低。通过龙门山地区水系沉积物中铀元素分布特征与龙门山地区矿产分布对比发现,煤矿、磷矿开发区是水系主要铀元素来源。     

Determination of traces of Sb(III) using ASV in Sb-rich water samples affected by mining

Chemical speciation [Sb(V) and Sb(III)] affects the mobility, bioavailability and toxicity of antimony. In oxygenated environments Sb(V) dominates whereas thermodynamically unstable Sb(III) may occur. In this study, a simple method for the determination of Sb(III) in non acidic, oxygenated water contaminated with antimony is proposed. The determination of Sb(III) was performed by anodic stripping voltammetry (ASV, 1–20 μg L⁻¹ working range), the total antimony, Sb(tot), was determined either by inductively coupled plasma mass spectrometry (ICP-MS, 1–100 μg L⁻¹ working range) or inductively coupled plasma optical emission spectrometry (ICP-OES, 100–10,000 μg L⁻¹ working range) depending on concentration. Water samples were filtered on site through 0.45 μm pore size filters. The aliquot for determination of Sb(tot) was acidified with 1% (v/v) HNO₃. Different preservatives, namely HCl, L(+) ascorbic acid or L(+) tartaric acid plus HNO₃, were used to assess the stability of Sb(III) in synthetic solutions.The method was tested on groundwater and surface water draining the abandoned mine of Su Suergiu (Sardinia, Italy), an area heavily contaminated with Sb. The waters interacting with Sb-rich mining residues were non acidic, oxygenated, and showed extreme concentrations of Sb(tot) (up to 13,000 μg L⁻¹), with Sb(III) <10% of total antimony. The stabilization with L(+) tartaric acid plus HNO₃ appears useful for the determination of Sb(III) in oxygenated, Sb-rich waters. Due to the instability of Sb(III), analyses should be carried out within 7 days upon the water collection. The main advantage of the proposed method is that it does not require time-consuming preparation steps prior to analysis of Sb(III).     

褐煤半焦直接加氢制甲烷反应特性及其孔结构和表面形态变化

在高温高压(1 000 ℃、12 MPa)固定床反应器上对内蒙古褐煤半焦的加氢甲烷化反应特性进行了研究,采用氮吸附和扫描电镜(SEM)对甲烷化残渣比表面积、孔结构和表面形态进行了表征。结果表明,半焦加氢甲烷化可分为加氢热解、快速加氢和慢速加氢等三个反应阶段,每阶段分别发生含氧官能团和烷基侧链加氢反应、芳环结构加氢反应以及贫氢骨架碳结构加氢反应。半焦加氢甲烷化最优反应温度为800 ℃,反应压力为3.0~4.0 MPa;提高升温速率可以缩短前段(碳转化率低于46%)反应过程时间,对后段(碳转化率高于46%)反应过程影响较小。半焦甲烷化残渣的吸附-脱附等温线呈反S型,滞后环呈H3回线形状;在甲烷化反应过程中,半焦平均孔径先减小后增大,总孔容积和介孔容积逐渐增大,微孔容积和比表面积先增大后减小。     

Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues

Relative amino acid residue solvent accessibility values allow the quantitative comparison of atomic solvent-accessible surface areas in different residue types and physical environments in proteins and in protein structural alignments. Geometry-optimised tri-peptide structures in extended solvent-exposed reference conformations have been obtained for 43 amino acid residue types at a high level of quantum chemical theory. Significant increases in side-chain solvent accessibility, offset by reductions in main-chain atom solvent exposure, were observed for standard residue types in partially geometry-optimised structures when compared to non-minimised models built from identical sets of proper dihedral angles abstracted from the literature. Optimisation of proper dihedral angles led most notably to marked increases of up to 54% in proline main-chain atom solvent accessibility compared to literature values. Similar effects were observed for fully-optimised tri-peptides in implicit solvent. The relief of internal strain energy was associated with systematic variation in N, C^α and C^β atom solvent accessibility across all standard residue types. The results underline the importance of optimisation of ‘hard’ degrees of freedom (bond lengths and valence bond angles) and improper dihedral angle values from force field or other context-independent reference values, and impact on the use of standardised fixed internal co-ordinate geometry in sampling approaches to the determination of absolute values of protein amino acid residue solvent accessibility. Quantum chemical methods provide a useful and accurate alternative to molecular mechanics methods to perform energy minimisation of peptides containing non-standard (chemically modified) amino acid residues frequently present in experimental protein structure data sets, for which force field parameters may not be available. Reference tri-peptide atomic co-ordinate sets including hydrogen atoms are made freely available.     

A Highly Sensitive and Selective Label-free Electrochemical Biosensor with a Wide Range of Applications for Bisphenol A Detection

A label-free DNA-based electrochemical biosensor owning high sensitivity and selectivity has been established for detecting bisphenol A in a wide range of applications. Coupling the high electrochemical performance of graphene oxide-thionine-Au nanomaterial with the specific binding capacity of the aptamers to BPA, the monitoring of trace amount of BPA was realized, the detection limit was 3.3 pg ⋅ mL⁻¹ with strong anti-interference. Besides, using molecular docking, it was found that BPA binds to the bases DC-49, DC-51, DG-52, DG-53 and DA-63 on the aptamer via hydrogen bonding and π-π stacking interactions. Finally, the biosensor had been successfully applied in different real samples.