An automatic reduction method of 3D bone fragments based on a novel section contour point descriptor.

Comminuted fractures are orthopedic traumas with greater surgical difficulty. In clinical treatment, a great challenge is precise reduction of multiple broken bone fragments; Another great challenge is personalized and precise internal fixation after reduction. For these two issues, we designed an automated method framework for precise reduction and internal fixation of comminuted fractures. First, the Gaussian mixture model (GMM) is used to distinguish section points and noise points in a broken bone model; Second, ellipse fitting is carried out to achieve section points matching and a descriptor is proposed to describe the section features; Then, the Convolution Auto-Encoder (CAE) and genetic algorithm are used to extract feature vectors; Finally, after broken bone models registration, internal fixed plate can be reconstructed. Three verification experiments for comminuted bone fracture show this method has high accuracy and good efficiency. It can provide support for minimally invasive treatment for comminuted fractures.

Research on Global Optimization Algorithm of Integrated Energy and Thermal Management for Plug-In Hybrid Electric Vehicles.

Power distribution and battery thermal management are important technologies for improving the energy efficiency of plug-in hybrid electric vehicles (PHEVs). In response to the global optimization of integrated energy thermal management strategy (IETMS) for PHEVs, a dynamic programming algorithm based on adaptive grid optimization (AGO-DP) is proposed in this paper to improve optimization performance by reducing the optimization range of SOC and battery temperature, and adaptively adjusting the grid distribution of state variables according to the actual feasible region. The simulation results indicate that through AGO-DP optimization, the reduction ratio of the state feasible region is more than 30% under different driving conditions. Meanwhile, the algorithm can obtain better global optimal driving costs more rapidly and accurately than traditional dynamic programming algorithms (DP). The computation time is reduced by 33.29-84.67%, and the accuracy of the global optimal solution is improved by 0.94-16.85% compared to DP. The optimal control of the engine and air conditioning system is also more efficient and reasonable. Furthermore, AGO-DP is applied to explore IETMS energy-saving potential for PHEVs. It is found that the IETMS energy-saving potential range is 3.68-23.74% under various driving conditions, which increases the energy-saving potential by 0.55-3.26% compared to just doing the energy management.

Bioconversion of fructus sophorae into 5,7,8,4'-tetrahydroxyis oflavone with Aspergillus aculeatus.

A fungus identified as Aspergillus aculeatus was used to biotransform genistein and glycosides to polyhydroxylated isoflavones. The strain was identified on the basis of colony morphology features and ITS rDNA sequence analysis. Phylogenetic tree was constructed to determine its taxonomic status. Genistein and glycosides were transformed by Aspergillus aculeatus to 5,7,8,4'- tetrahydroxyisoflavone. The chemical structure of the product was identified by high performance liquid chromatography(HPLC), liquid chromatography-mass spectrometry(LC/MS), Infrared spectroscopy (IR) and NMR spectrometer methods. The ITS rDNA sequence of the strain had 100% similarity with Aspergillus. Furthermore, it was ultimately identified as Aspergillus aculeatus. The metabolite of genistein and glycosides was identified as 5,7,8,4'-tetrahydroxyisoflavone. 120 mg 5,7,8,4'-tetrahydroxyisoflavone was made from 20 g fructus sophorae, which was bioconverted unconditionally by Aspergillus aculeatus for 96 h, and the purity was 96%. On the basis of the findings, Aspergillus aculeatus was a novel strain with specific ability to convert genistein and glycosides into 5,7,8,4'-tetrahydroxyisoflavone which had potential applications.

New allometric scaling relationships and applications for dose and toxicity extrapolation.

Allometric scaling between metabolic rate, size, body temperature, and other biological traits has found broad applications in ecology, physiology, and particularly in toxicology and pharmacology. Basal metabolic rate (BMR) was observed to scale with body size and temperature. However, the mass scaling exponent was increasingly debated whether it should be 2/3, 3/4, or neither, and scaling with body temperature also attracted recent attention. Based on thermodynamic principles, this work reports 2 new scaling relationships between BMR, size, temperature, and biological time. Good correlations were found with the new scaling relationships, and no universal scaling exponent can be obtained. The new scaling relationships were successfully validated with external toxicological and pharmacological studies. Results also demonstrated that individual extrapolation models can be built to obtain scaling exponent specific to the interested group, which can be practically applied for dose and toxicity extrapolations.

Determination of phthalate esters in liquor samples by vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction followed by GC-MS.

A novel method using vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction has been developed for the extraction of phthalate esters (PAEs) in Chinese liquor samples prior to analysis by GC-MS. In the proposed method, a high-density extraction solvent (carbon tetrachloride) was dispersed into samples with the aid of a surfactant (Triton X-100) and vortex agitation, resulting in a short extraction equilibrium (30 s). After centrifugation, a single microdrop of solvent was easily collected for GC-MS analysis. Key factors that affected the extraction efficiency were optimized. Under the optimum conditions, linearity was found in the range from 0.05 to 50 µg/L. Coefficients of determination varied from 0.9938 to 0.9971. LODs, based on an S/N of 3, ranged from 4.9 to 13 ng/L. Enrichment factors varied from 140 to 184. Reproducibility and recoveries were assessed by testing a series of three liquor samples that were spiked with different concentration levels. Finally, the proposed method was successfully applied to the determination of PAEs in 16 Chinese liquor samples. In this work, high-density-solvent vortex-assisted surfactant-enhanced-emulsification liquid-liquid microextraction was applied for the first time for the extraction of PAEs in Chinese liquor samples and was proved to be simple, rapid, and sensitive.

Occurrence and environmental implications of pharmaceuticals in Chinese municipal sewage sludge.

The presence of pharmaceuticals in aquatic environment has become a topic of concern because of their potential adverse effects on human health and wildlife species. A total of 45 dewatered sewage sludge samples were collected throughout China and analyzed for 30 commonly consumed pharmaceutical residues. Ofloxacin was found to be the dominant contaminant with concentrations up to 24760 µg kg(-1), followed by oxytetracycline (5280 µg kg(-1)), norfloxacin (5280 µg kg(-1)) and ketoprofen (4458 µg kg(-1)). The concentration of pharmaceutical residues varied greatly depending on the operation conditions of wastewater treatment plants and sampling locations. Poor agreement was found between the predicted (calculation based on the annual consumption and coefficient of sludge water partition) and detected concentrations of the pharmaceuticals indicating that the occurrence of pharmaceutical residues was affected by various factors such as loading rates, sewage properties and the chemical properties such as the contribution from polar groups. National wide fate and ecotoxicity study is required for the development of control strategies.

Ozonation of trimethoprim in aqueous solution: identification of reaction products and their toxicity.

This work aimed to better understand the ozonation process of a typical antibiotic pharmaceutical, trimethoprim in aqueous solution. The parent compound was almost completely degraded with ozone dose up to 3.5 mg/L with no mineralization. Twenty one degradation products were identified using an electrospray quadrupole time-of-flight mass spectrometer. Several ozonation pathways were proposed including hydroxylation, demethylation, carbonylation, deamination and methylene group cleavage. Two species of luminescent bacteria Photobacterium phosphoreum and Vibrio qinghaiensis were selected to assess the toxicity of ozonation products. For P. phosphoreum, higher level of toxicity was observed compared to the parent compound, but a negligible toxicity change was observed for V. qinghaiensis, indicating different modes of action for the same water sample. This was further confirmed by quantitative structure-active relationship analysis. This work proves the dominant role of ozone rather than hydroxyl radicals in the reaction and the potential risk after ozonation.

Particle size: a missing factor in risk assessment of human exposure to toxic chemicals in settled indoor dust.

For researches on toxic chemicals in settled indoor dust, selection of dust fraction is a critical influencing factor to the accuracy of human exposure risk assessment results. However, analysis of the selection of dust fraction in recent studies revealed that there is no consensus. This study classified and presented researches on distribution of toxic chemicals according to dust particle size and on relationship between dust particle size and human exposure possibility. According to the literature, beyond the fact that there were no consistent conclusions on particle size distribution of adherent fraction, dust with particle size less than 100 µm should be paid more attention and that larger than 250 µm is neither adherent nor proper for human exposure risk assessment. Calculation results based on literature data show that with different selections of dust fractions, analytical results of toxic chemicals would vary up to 10-fold, which means that selecting dust fractions arbitrarily will lead to large errors in risk assessment of human exposure to toxic chemicals in settled dust. Taking into account the influence of dust particle size on risk assessment of human exposure to toxic chemicals, a new methodology for risk assessment of human exposure to toxic chemicals in settled indoor dust is proposed and human exposure parameter systems to settled indoor dust are advised to be established at national and regional scales all over the world.

Catalytic destruction of pentachlorobenzene in simulated flue gas by a V2O5-WO3/TiO2 catalyst.

Pentachlorobenzene (PeCB) in simulated flue gas was destructed by a commercial V(2)O(5)-WO(3)/TiO(2) catalyst in this study. The effects of reaction temperature, oxygen concentration, space velocity and some co-existing pollutants on PeCB conversion were investigated. Furthermore, a possible mechanism for the oxidation of PeCB over the vanadium oxide on the catalysts was proposed. Results show that the increase of gas hourly space velocity (GHSV) and the decrease of operating temperature both resulted in the decrease of PeCB removal over the catalyst, while the effect of the oxygen content in the range of 5-20% (v/v) on PeCB conversion was negligible. PeCB decomposition could be obviously affected by the denitration reactions under the conditions because of the positive effect of NO but negative effect of NH(3). The introduction of SO(2) caused the catalyst poisoning, probably due to the sulfur-containing species formed and deposited on the catalyst surface. The PeCB molecules were first adsorbed on the catalyst surface, and then oxidized into the non-aromatic acyclic intermediates, low chlorinated aromatics and maleic anhydride.

Health risk characterisation for environmental pollutants with a new concept of overall risk probability.

In health risk assessment, risk is commonly characterised by calculating a simple hazard quotient (HQ), which cannot reflect the actual distribution of exposure and health effect values. This study aimed to develop a new risk characterisation method, the overall risk probability (ORP) method based on probabilistic techniques. Exposure exceedence values were calculated to obtain an exposure exceedence curve (EEC). The area under the EEC was calculated as the ORP value to represent the risk. This method was demonstrated by a case study for two steroidal EDCs, 17ß-estradiol (E2) and 17α-ethinylestradiol (EE2) for fish in surface water. It was found that the risk probability of fish exposed to E2 (ORP, 8.1%) and EE2 (ORP, 27%) were both above the reference value of 2.5%, which was consistent with the results of HQ method. Assuming independent action of individual EDCs, a combined risk probability of 33% was obtained for the mixture effects of E2 and EE2. Our results implicated that the adverse health effects imposed by E2 and EE2 were significant for fish in surface water worldwide.

An overall risk probability-based method for quantification of synergistic and antagonistic effects in health risk assessment for mixtures: theoretical concepts.

PURPOSE: In the assessment of health risks of environmental pollutants, the method of dose addition and the method of independent action are used to assess mixture effects when no synergistic and/or antagonistic effects are present. Currently, no method exists to quantify synergistic and/or antagonistic effects for mixtures. The purpose of this paper is to develop the theoretical concepts of an overall risk probability (ORP)-based method to quantify the synergistic and antagonistic effects in health risk assessment for mixtures. METHOD: The ORP for health effects of environmental chemicals was determined from the cumulative probabilities of exposure and effects. This method was used to calculate the ORP for independent mixtures and for mixtures with synergistic and antagonistic effects. RESULTS: For the independent mixtures, a mixture ORP can be calculated from the product of the ORPs of individual components. For systems of interacting mixtures, a synergistic coefficient and an antagonistic coefficient were defined respectively to quantify the ORPs of each individual component in the mixture. The component ORPs with synergistic and/or antagonistic effects were then used to calculate the total ORP for the mixture. CONCLUSIONS: An ORP-based method was developed to quantify synergistic and antagonistic effects in health risk assessment for mixtures. This represents a first method to generally quantify mixture effects of interacting toxicants.

Fate simulation and risk assessment of endocrine disrupting chemicals in a reservoir receiving recycled wastewater.

A fugacity based model was applied to simulate the distribution of three endocrine disrupting chemicals (EDCs), namely estrone (E1), 17ß-estradiol (E2) and 17α-ethynylestradiol (EE2) in a reservoir receiving recycled wastewater in Australia. At typical conditions, the majority of estrogens were removed by degradation in the water compartment. A sensitivity analysis found that the simulated concentrations of E1, E2 and EE2 were equally sensitive to the parameters of temperature (T), reservoir water volume (V) and equivalent biomass concentration (EBC), but E1 was more sensitive to estrogen concentration in the recycled water (C(e)) and recycling rate (F(r)). In contrast, all three estrogens were not sensitive to reservoir water releasing rate (F(d)). Furthermore, a probabilistic health risk assessment showed that the simulated concentrations were below fish exposure threshold value (ETV) and human public health standard (PHS). Human equivalent dose of EDCs from fish consumption was about 10 times higher than that from drinking water consumption. The highest risk quotient among the three estrogens was found for EE2 with less than 9.5×10(-2), implying negligible health risks.

Quantitative structure-property relationships (QSPR) for steroidal compounds of environmental importance.

A quantitative structure-property relationships (QSPR) study was carried out for 17 steroidal compounds using calculated molecular descriptors and measured properties. The utility of calculated molecular descriptors and properties was evaluated and improved in some instances by subgroup classification of these 17 compounds into estrogens and androgens. The calculated values for the octanol-water partition coefficient (logK(ow)) were found to be in good agreement with the measured values for all 17 compounds, whilst good agreement between the calculated and measured values for aqueous solubility (logS) was found only for the subgroup of androgens. Good linear relationships (R(2)0.782) were found between measured logK(ow) values and three molecular descriptors (logFOSA, hydrophobic component of the total solvent accessible surface area; logFISA, hydrophilic component of the total solvent accessible area and logPSA, Van de Waals surface area of polar nitrogen and oxygen atoms). For the measured logS values, only weak correlations with molecular descriptors were observed (R(2)0.505). The coefficient of logS in the relationship with the hydrophobic parameter (logFOSA) was negative but positive with the hydrophilic parameters (logFISA and logPSA). Conversely with logK(ow) the opposite was found. These observations are in accord with the effects of molecular polarity on aqueous solubility.