An advanced treatment process for 3-high wastewater discharged from crude oil storage tanks.

The wastewater discharged from crude oil storage tanks (WCOST) contains high concentrations of salt and metal iron ions, and high chemical oxygen demand (COD). It belongs to "3-high" wastewater, which is difficult for purification. In this study, WCOST treatments were comparatively investigated via an advanced pretreatment and the traditional coagulation-microfiltration (CMF) processes. After WCOST was purified through the conventional CMF process, fouling occurred in the microfiltration (MF) membrane, which is rather harmful to the following reverse osmosis (RO) membrane unit, and the effluent featured high COD and UV254 values. The analysis confirmed that the MF fouling was due to the oxidation of ferrous ions, and the high COD and UV254 values were mainly attributable to the organic compounds with small molecular sizes, including aromatic-like and fulvic-like compounds. After the pretreatment of the advanced process consisting of aeration, manganese sand filtration, and activated carbon adsorption in combination with CMF process, the removal efficiencies of organic matter and total iron ions reached 97.3% and 99.8%, respectively. All the water indexes of the effluent, after treatment by the advanced multi-unit process, meet well the corresponding standard. The advanced pretreatment process reported herein displayed a great potential for alleviating the MF membrane fouling and enhanced the lifetime of the RO membrane system in the 3-high WCOST treatment.

GPMeta: a GPU-accelerated method for ultrarapid pathogen identification from metagenomic sequences.

Metagenomic sequencing (mNGS) is a powerful diagnostic tool to detect causative pathogens in clinical microbiological testing owing to its unbiasedness and substantially reduced costs. Rapid and accurate classification of metagenomic sequences is a critical procedure for pathogen identification in dry-lab step of mNGS test. However, clinical practices of the testing technology are hampered by the challenge of classifying sequences within a clinically relevant timeframe. Here, we present GPMeta, a novel GPU-accelerated approach to ultrarapid pathogen identification from complex mNGS data, allowing users to bypass this limitation. Using mock microbial community datasets and public real metagenomic sequencing datasets from clinical samples, we show that GPMeta has not only higher accuracy but also significantly higher speed than existing state-of-the-art tools such as Bowtie2, Bwa, Kraken2 and Centrifuge. Furthermore, GPMeta offers GPMetaC clustering algorithm, a statistical model for clustering and rescoring ambiguous alignments to improve the discrimination of highly homologous sequences from microbial genomes with average nucleotide identity >95%. GPMetaC exhibits higher precision and recall rate than others. GPMeta underlines its key role in the development of the mNGS test in infectious diseases that require rapid turnaround times. Further study will discern how to best and easily integrate GPMeta into routine clinical practices. GPMeta is freely accessible to non-commercial users at https://github.com/Bgi-LUSH/GPMeta.

Application of 4D-CT Scanning in Differential Diagnosis of Arytenoid Subluxation and Vocal Fold Paralysis.

OBJECTIVE: To differentiate arytenoid subluxation and vocal fold paralysis by CT cine mode scanning combined with three-dimensional (3D) reconstruction image. METHODS: Seventy-six patients with suspected vocal fold dyskinesia were collected. All patients were examined being asked to inhale deeply and then make "Yi" sound continuously during CT scanning with cine mode. The optimal maximum opening and minimum closing phases of glottis were selected and 3D reconstruction images were performed. The length of vocal fold, the width of glottis, and the subglottal convergence angle, anteversion angle, elevation angle, valgus angle, and varus angle of cricoarytenoid joints were measured. Vocal fold deformation was divided into three types: type I, type II, and type III. Kappa test was used to compare the consistency between CT diagnosis and clinical diagnosis. Single-factor analysis of variance was used to analyze the statistical differences among arytenoid subluxation, vocal fold paralysis, and normal vocal fold. RESULTS: There was high consistency between CT diagnosis and clinical diagnosis (k = 0.731, P < 0.05), as well as significant differences in the opening width of glottis between type I and type III, the valgus and varus angles of cricoarytenoid joints between type I and type II or type III, and the subglottal convergence angles among the three types of vocal fold deformation. CONCLUSIONS: CT scanning with cine mode combined with 3D reconstruction can display the changes of larynx structures in vocal fold dyskinesia, and can be used for the differential diagnosis of arytenoid cartilage subluxation and vocal fold paralysis.

Modified Natural Dolomite and Its Influence on the Production of Glycerol Carbonate: Effects of Structural and Basicity Properties.

A systematic study over different treatment conditions, including hydrothermal and acid-thermal, was successfully carried out to determine the most suitable conditions to enhance the textural properties and surface chemical composition of natural dolomite. The reconstruction of dolomite after various treatments enhanced the surface area by 4-5 times and diminished the pore diameter between 70% and 81% compared to the untreated parent dolomite. The Rietveld analysis of the X-ray diffraction (XRD) patterns revealed changes in the crystalline compositions after each treatment. When the treated dolomite was used as a catalyst to produce glycerol carbonate via a transesterification reaction of glycerol and dimethyl carbonate, the crystalline Ca(OH)2 concentration of the modified dolomite and the apparent glycerol carbonate formation rate (rgc) are well-correlated. The results suggest that an increase of the crystalline Ca(OH)2 concentration could be related with surface basicity at the weak and moderate strength sites that may lead to an increase in catalytic activity. The hydrothermal treated dolomite showed a selectivity of glycerol carbonate greater than 99% and rgc value 3.42 mmol/min·gcat, which was higher than that achieved on other samples. This study could aid to the proper selection of dolomite treatment for the desired crystalline composition, depending on the applications of this highly available mineral.

Design, synthesis, biological activity evaluation of 3-(4-phenyl-1H-imidazol-2-yl)-1H-pyrazole derivatives as potent JAK 2/3 and aurora A/B kinases multi-targeted inhibitors.

In this study, a series of 3-(4-phenyl-1H-imidazol-2-yl)-1H-pyrazole derivatives were designed, synthesized, and evaluated for their biological activities. Upon performing kinase assays, most of the compounds exhibited potent inhibition against JAK2/3 and Aurora A/B with the IC50 values ranging from 0.008 to 2.52 µM. Among these derivatives, compound 10e expressed the most moderate inhibiting activities against all the four kinases with the IC50 values of 0.166 µM (JAK2), 0.057 µM (JAK3), 0.939 µM (Aurora A), and 0.583 µM (Aurora B), respectively. Moreover, most of the derived compounds exhibited potent cytotoxicity against human chronic myeloid leukemia cells K562 and human colon cancer cells HCT116, while compound 10e expressed antiproliferative activities against K562 (IC50=6.726  µM). According to western blot analysis, compound 10e down-regulated the phosphorylation of STAT3, STAT5, Aurora A, and Aurora B in a dose-dependent manner in K562 and HCT116 cells. Cell cycle analysis revealed that compound 10e inhibited the proliferation of cells by inducing cell cycle arrest in the G2 phase. The molecular modeling suggested that compound 10e could maintain a binding mode similar to the binding mode of AT9832, a common JAK 2/3 and Aurora A/B kinases multi-target kinase inhibitor. Therefore, compound 10e might be a potential agent for cancer therapy deserving further research.

Integration of multiscale molecular modeling approaches with the design and discovery of fusidic acid derivatives.

Aim: Fusidic acid (FA) is an effective antibiotic against Staphylococcus aureus, but it is metabolically unstable. Methods & results: 14 derivatives were designed and synthesized by blocking the metabolic sites of FA (21-COOH and 3-OH) to maintain antibacterial activity and prolong the half-life. Six derivatives showed good antibacterial activity, and the pharmacokinetic experiments confirmed that two derivatives modified in 21-COOH released FA in vivo and showed longer half-lives than FA. Docking analysis and structure-activity relationships indicated that the 3-glycine derivatives with more hydrogen-bonding acceptor sites and positively charged surface areas were more likely to have good antibacterial activity. Conclusion: The results suggest that introducing groups that block the metabolic sites of FA could maintain antibacterial activity and prolong the half-lives.

Correlations between tumor stroma characters and dynamic enhanced MDCT findings in nodular pulmonary adenocarcinoma.

OBJECTIVE: This study aimed to evaluate correlations between tumor stroma characters and dynamic contrast-enhanced computed tomographic (CT) findings in nodular pulmonary adenocarcinoma. METHODS: Thirty-three patients with nodular pulmonary adenocarcinoma underwent dynamic contrast-enhancement CT scan before surgery. CT findings include wash-in, wash-out, and distribution of enhancement. The proportion of invasive and noninvasive stroma in tumor was calculated. RESULTS: Invasive and noninvasive stroma proportion in tumor was correlated positively with wash-in and wash-out enhancement, respectively. CONCLUSIONS: Tumor stroma proliferation may explain the pathologic basis of CT dynamic enhancement and be a useful prognostic factor of pulmonary adenocarcinoma.

On the role of Fe3+ ions in FexOy/C catalysts for hydrogen production from the photodehydrogenation of ethanol.

FexOy/C photocatalysts at different iron content were prepared by the incipient wet impregnation method and calcined at 773 K. The photocatalysts were characterized by means of nitrogen adsorption-desorption isotherms, surface fractal dimension, non-local density functional theory, X-ray diffraction, Rietveld refinement and UV-vis spectroscopy. The photocatalytic activity was evaluated using the photodehydrogenation of ethanol as a model reaction for the production of hydrogen. The specific surface areas of FexOy/C substrates, with 15, 20 and 30 wt% iron content, diminished from 638 to 490 m(2)/g, as the iron content increased. X-ray diffraction analysis showed that iron oxides coexist as wustite and magnetite in samples with Fe contents of 15 and 20 wt%; for sample with 30 wt% Fe, wustite, magnetite and hematite phases were observed. The photophysical, textural and structural properties were modified by the hematite phase formed by thermal treatment. The Rietveld refinements denoted changes in occupancy of Fe(3+) and Fe(2+) in FexOy crystallites. A relationship between the Fe(3+) ions content and the reactivity for the hydrogen production from the photodehydrogenation of ethanol (from 1360 to 2125 µmol h(-1)), was evidenced.

The stabilization effect of dielectric constant and acidic amino acids on arginine-arginine (Arg-Arg) pairings: database survey and computational studies.

Database survey in this study revealed that about one-third of the protein structures deposited in the Protein Data Bank (PDB) contain arginine-arginine (Arg-Arg) pairing with a carbon···carbon (CZ···CZ) interaction distance less than 5 Å. All the Arg-Arg pairings were found to bury in a polar environment composed of acidic residues, water molecules, and strong polarizable or negatively charged moieties from binding site or bound ligand. Most of the Arg-Arg pairings are solvent exposed and 68.3% Arg-Arg pairings are stabilized by acidic residues, forming Arg-Arg-Asp/Glu clusters. Density functional theory (DFT) was then employed to study the effect of environment on the pairing structures. It was revealed that Arg-Arg pairings become thermodynamically stable (about -1 kcal/mol) as the dielectric constant increases to 46.8 (DMSO), in good agreement with the results of the PDB survey. DFT calculations also demonstrated that perpendicular Arg-Arg pairing structures are favorable in low dielectric constant environment, while in high dielectric constant environment parallel structures are favorable. Additionally, the acidic residues can stabilize the Arg-Arg pairing structures to a large degree. Energy decomposition analysis of Arg-Arg pairings and Arg-Arg-Asp/Glu clusters showed that both solvation and electrostatic energies contribute significantly to their stability. The results reported herein should be very helpful for understanding Arg-Arg pairing and its application in drug design.

Relationship between peripheral lung cancer and the surrounding bronchi, pulmonary arteries, pulmonary veins: a multidetector CT observation.

AIM: This study aimed to investigate the relationship between peripheral lung cancer and the surrounding pulmonary vessels and bronchi using contrast-enhanced multidetector computed tomography (MDCT) and to analyze associated factors such as pathology types, stage, size, density, and location of peripheral lung cancer. MATERIALS AND METHODS: A total of 93 patients with solitary peripheral lung cancers underwent contrast-enhanced MDCT before thoracotomy were enrolled. Multiplanar reconstruction, maximal intensity projection, and volume rendering were used for demonstrating the patterns of the tumor-bronchi (Br), tumor-pulmonary artery (PA) and tumor-pulmonary vein (PV) relationship, respectively. Five subtypes were identified: Type1 (Br1, PA1 and PV1), Br, PA, or PV was erupted at the edge of nodule; Type2 (Br2, PA2, and PV2), erupted at the center of nodule; Type3 (Br3, PA3 and PV3), penetrated through the nodule; Type4, (Br4, PA4 and PV4), contacting the nodule but stretched or encased; Type5 (Br5, PA5, and PV5), contacting the nodule but smoothly compressed. RESULTS: Both bronchi and PA were interrupted in 70 (Type 1+2); both narrowed in 9 (Type 3+4). The bronchi and PA changes surrounding the lung cancer had positive relations (χ(2)=12.3918, r=0.7524, P<.01). Br1 and PA1 were more often seen in the group of solid, ≥2.0 cm, and Stage II-IV focal lesions, while Br2 and PA2, more often in the group of part-solid, non-solid, <2.0 cm, and Stage I focal lesions. PV2 was more often seen in the part-solid and non-solid focal lesions group, while PV (4+5), more often in solid focal lesions group. CONCLUSION: MDCT can demonstrate and subtype relationships among peripheral lung cancer and the bronchi, pulmonary arteries and pulmonary veins. This can be the basis for further clinical research and differential diagnosis.

High sensitive detection of cancer cell with a folic acid-based boron-doped diamond electrode using an AC impedimetric approach.

An electrochemical impedance method at a fixed frequency (10Hz) is used to detect folate receptor-rich cancer cells with the interaction between folic acid immobilized on gold nanoparticles deposited on boron-doped diamond (BDD) electrode surface and its receptor over-expressed on cancer cell membrane without additional labeling. Experimental results have shown that the BDD electrode modified with folic acid can clearly denote folate receptor-rich cancer cells, such as HeLa cells, at a concentration down to 10 cells mL(-1). The high sensitivity of BDD electrode is resulted from the change of field effect and surface charge density of BDD after cancer cells attachment. The BDD electrodes can be regenerated with 0.1M citric acid/glycine/HC1 at pH 3.0 and used seven times again. Therefore, electrochemical technique with BDD electrode has been introduced for cancer cells detection and a simple method to detect folate receptor-rich cancer cells without additional labeling has been developed.

[Physical and chemical properties of land-filling pile and aged refuse in 5-year-old semi-aerobic and anaerobic landfills].

This paper studied the surface settlement, temperature, and gas production of land-filling pile, and the physical and chemical properties of aged refuse in 5-year-old semi-aerobic and anaerobic landfills. The pile's surface settlement and its volume reduction rate were significantly higher in semi-aerobic than in anaerobic landfill; and the treatment with leachate recycling brought larger uneven settlement than the treatment with water recycling. The temperature of anaerobic landfill pile (25.6 degrees C) was slightly higher than that of semi-aerobic landfill file (24.8 degrees C), but the difference was not significant. During land-filling period, the O2 concentration in semi-aerobic landfill pile was significantly higher than that in anaerobic one, while the CH4 concentration was in reverse. After 5 years land-filling, the contents of easily degradable organic matters in aged refuse, such as kitchen refuses and papers, decreased dramatically, while the contents of plastics, glasses, bricks, and woods increased. In addition, the contents of organic matters and nutrients in aged refuse were higher than those in typical southern China soils, and the concentrations of heavy metals except chromium in anaerobic landfill aged refuse were not beyond the grade three of Environmental Quality Standards for Soils (GB 15618-1995).

[Community structure and time-space distribution characteristic of airborne fungi in a municipal landfill site].

In order to determine the community structure and time-space distribution characteristics of airborne fungi in waste landfill sites, supervisory points were set in sanitary landfill area, leachate treatment area and living area in a Waste Sanitary Landfill Site in Beijing. Airborne fungi were collected by Andersen six stages sampler, and the study on the community structure and distribution of airborne fungi was carried out systematically. The results show that fifteen genera of culturable fungi are identified (exclusion Non-sporing), Cladosporium, Aspergillus, Penicillium and Non-sporing are the dominant genera. The concentration of airborne fungi in sanitary landfill area and leachate treatment area are about 1750 CFU x m(-3), which is higher than that in living area (p < 0.05). Monthly change curve of the airborne fungi concentration shows double peak type, the peak value appears in May and September-October, which can reach at 5 000 CFU x m(-3). It indicates a trend that the concentration is higher at 09:00-11:00 than that at 15:00-16:00 from April to July, but it performs reserved trend from August to the next January. 75% of the airborne fungi distributes in stage III - V. The counted median diameters (CMD) of airborne fungi in three functional areas are 2.9 microm, 2.9 microm and 2.8 microm respectively, there are no statistical difference (p > 0.05).