THEORETICAL STUDY OF THE ELECTRONIC STRUCTURE AND CONDUCTING PROPERTIES OF POLYTHIIRENE AND POLYDITHIETE

The electronic structure and conduction properties of two kinds of polyyne derivatives with sulfur addition, palythiirene (PTI) and polydithiete (PDT) have been examined using ab initio Hartree-Fock crystal orbital method. Comparison of the results such as energy gap ? ionization-potential and electron affinity of PTI and PDT with those of polyacetylene (PA) indicates that both PTI and PDT have smaller band gaps than PA and they are better intrinsic semiconductors than PA. The π electron of sulfur atoms partly transport to conjugated polyyne chain.     

Handheld optical coherence tomography device for photodynamic therapy

Photodynamic therapy (PDT) is a very effective treatment for port wine stains (PWS). To guide and assess PDT treatment, a handheld optical coherence tomography (OCT) probe was designed for real-time imaging of the PWS patient. The system uses a light source with a center wavelength of 1310 nm, -3 dB bandwidth of 90 nm and an optical power of 9 mW. The system also has a spatial resolution of 8 μm (lateral) × 7 μm (axial), an imaging rate of 4 frames per second, and a 102 dB sensitivity. We then demonstrate that the OCT imaging system can clearly distinguish between normal and PWS tissues. Therefore, the system can provide valuable guidance for PDT treatment.     

Pedigree transmission disequilibrium test for QTL mapping of threshold trait

With biological and economic importance,threshold traits are discrete in phenotype but have the same polygenic genetic basis as quantitative traits. The traditional linkage analysis for quantitative traits is invalid for threshold traits due to their special characters. The transmission disequilibrium test (TDT) has received great attention recently in localizing human disease genes due to its simplicity and powerfulness. But TDT only deals with data from independent nuclear families and it will lose information about extended pedigree that incorporates information not only from parents and siblings but also from other relatives. The pedigree disequilibrium test (PDT) proposed by Martin in 2001 can be used to analyze the extended pedigree in human.In this study, PDT was introduced into the QTL mapping of threshold traits for farm animals, and was modified in order to accommodate the pedigree structures of farm animals.The modified PDT was renamed pedigree transmission disequilibrium test (PTDT) and its power and type I error were investigated and compared with that of PDT by Monte Carlo simulation. It was shown that PTDT is a robust and valid approach to mapping QTL of threshold trait. When the parental information is complete, PTDT and PDT are almost the same in terms of power and type I error. However, if the parental information is missing to a certain extent, PTDT is higher in power and lower in type I error than PDT. These results imply that PTDT can be a novel approach to QTL fine mapping of threshold traits based on the existing coarse mapping information.     

Establishment of NaLuF4:15%Tb-based low dose X-PDT agent and its application on efficient antitumor therapy

X-ray excited photodynamic therapy (X-PDT) is the bravo answer of photodynamic therapy (PDT) for deep-seated tumors, as it employs X-ray as the irradiation source to overcome the limitation of light penetration depth. However, high X-ray irradiation dose caused organ lesions and side effects became the major barrier to X-PDT application. To address this issue, this work employed a classical co-precipitation reaction to synthesize NaLuF4:15%Tb3+(NLF) with an average particle size of (23.48±0.91) ...     

原位纳米增强高强韧钢氢脆性能研究

We investigated the critical influence of in-situ nanoparticles on the mechanical properties and hydrogen embrittlement (HE) of high-strength steel. The results reveal that the mechanical strength and elongation of quenched and tempered steel (919 MPa yield strength, 17.11% elongation) are greater than those of hot-rolled steel (690 MPa yield strength, 16.81% elongation) due to the strengthening effect of in-situ Ti₃O₅–Nb(C,N) nanoparticles. In addition, the HE susceptibility is substantially mitigated to 55.52%, approximately 30% lower than that of steels without in-situ nanoparticles (84.04%), which we attribute to the heterogeneous nucleation of the Ti₃O₅ nanoparticles increasing the density of the carbides. Compared with hard TiN inclusions, the spherical and soft Al₂O₃–MnS core–shell inclusions that nucleate on in-situ Al₂O₃ particles could also suppress HE. In-situ nanoparticles generated by the regional trace-element supply have strong potential for the development of high-strength and hydrogen-resistant steels.     

机械合金化法制备的Cu/SiC纳米复合材料的组织、热性能和力学性能评估

Nano-sized silicon carbide (SiC: 0wt%, 1wt%, 2wt%, 4wt%, and 8wt%) reinforced copper (Cu) matrix nanocomposites were manufactured, pressed, and sintered at 775 and 875°C in an argon atmosphere. X-ray diffraction (XRD) and scanning electron microscopy were performed to characterize the microstructural evolution. The density, thermal expansion, mechanical, and electrical properties were studied. XRD analyses showed that with increasing SiC content, the microstrain and dislocation density increased, while the crystal size decreased. The coefficient of thermal expansion (CTE) of the nanocomposites was less than that of the Cu matrix. The improvement in the CTE with increasing sintering temperature may be because of densification of the microstructure. Moreover, the mechanical properties of these nanocomposites showed noticeable enhancements with the addition of SiC and sintering temperatures, where the microhardness and apparent strengthening efficiency of nanocomposites containing 8wt% SiC and sintered at 875°C were 958.7 MPa and 1.07 vol%?1, respectively. The electrical conductivity of the sample slightly decreased with additional SiC and increased with sintering temperature. The prepared Cu/SiC nanocomposites possessed good electrical conductivity, high thermal stability, and excellent mechanical properties.     

体空化纳米气泡的尺寸分布和zeta电位研究

Nanobubble flotation technology is an important research topic in the field of fine mineral particle separation. The basic characteristics of nanobubbles, including their size, concentration, surface zeta potential, and stability have a significant impact on the nanobubble flotation performance. In this paper, bulk nanobubbles generated based on the principle of hydrodynamic cavitation were investigated to determine the effects of different parameters (e.g., surfactant (frother) dosage, air flow, air pressure, liquid flow rate, and solution pH value) on their size distribution and zeta potential, as measured using a nanoparticle analyzer. The results demonstrated that the nanobubble size decreased with increasing pH value, surfactant concentration, and cavitation-tube liquid flow rate but increased with increasing air pressure and increasing air flow rate. The magnitude of the negative surface charge of the nanobubbles was positively correlated with the pH value, and a certain relationship was observed between the zeta potential of the nanobubbles and their size. The structural parameters of the cavitation tube also strongly affected the characteristics of the nanobubbles. The results of this study offer certain guidance for optimizing the nanobubble flotation technology.     

纤维素纳米晶对胶凝复合材料耐酸性能的影响

Acid mine drainage presents an important threat to cementitious structures. This study is aimed at investigating the effect of cellulose nanocrystals (CNCs) on the acid resistance of cementitious composites. CNCs were added to mortar mixtures as additives at cement volume ratios of 0.2vol%, 0.4vol%, 1.0vol%, and 1.5vol%. After 28 d of standard curing, the samples were immersed in a sulfuric acid with a pH value of 2 for 75 d. The unconfined compressive strength (UCS) test, the density, water absorption, void volume test, and thermogravimetric analysis were carried out to investigate the properties of CNC mixtures before sulfuric acid immersion. It was found that the addition of CNC reduced the volume of permeable voids and increased the hydration degree and mechanical strength of the samples. Changes in mass and length were monitored during immersion to evaluate the acid resistance of mixtures. The mixture with 0.4vol% CNC showed a reduced mass change and length change indicating its improved acid resistance.     

放电等离子烧结制备石墨烯纳米片增强7075铝合金复合材料的力学性能

A 0.3wt% graphene nanoplatelets (GNPs) reinforced 7075 aluminum alloy matrix (7075 Al) composite was fabricated by spark plasma sintering and its strength and wear resistance were investigated. The microstructures of the internal structure, the friction surface, and the wear debris were characterized by scanning electron microscopy, X-ray diffraction, and Raman spectroscopy. Compared with the original 7075 aluminum alloy, the hardness and elastic modulus of the 7075 Al/GNPs composite were found to have increased by 29% and 36%, respectively. The results of tribological experiments indicated that the composite also exhibited a lower wear rate than the original 7075 aluminum alloy.     

氧化石墨烯和还原氧化石墨烯纳米片对药芯电弧焊低碳钢组织和力学性能的影响

The effect of graphene oxide (GO) and reduced graphene oxide (RGO) nanosheets on the microstructure and mechanical properties of welded joints of mild steel was evaluated by flux-cored arc welding. GO was synthesized by the Hummer’s method and was reduced under hydrothermal conditions at a pressure of 1.1 MPa at 180°C for 12 h. 1, 3, and 10 mg/mL paste fillers were used in GO and RGO, and applied to the weld notch. The results clearly showed that by increasing the concentration of RGO up to 10 mg/mL, the tensile strength and hardness of the weld metal were improved by approximately 20.5% and 38.4%, respectively, because the coarse grains were changed into fine domains. The domain of the nanosheets cluster was 19.85 × 10?9 m. Specifically, the RGO nanosheets contributed to modifying the mechanical properties of the welded steel, likely due to dislocation pinning.     

Pedigree transmission disequilibrium test for quantitative traits in farm animals

General pedigrees are very common in farm animals,and the recent availability of large panels of SNPs in domestic species has given new momentum to the search for the mutations underlying variation in quantitative traits.In this paper,we proposed a new transmission disequilibrium test approach,called the pedigree transmission disequilibrium test,which deals with general pedigrees and quantitative traits in farm animals.Compared with the existing pedigree disequilibrium test (PDT) and general linear model-based method QTDT,our approach performed better with higher power and lower type I error,especially in scenarios where the quantitative trait locus (QTL) effect was small.We also investigated the application of our approach in selective genotyping design.Our simulation studies indicated that it was plausible to implement a selective genotyping strategy in the proposed pedigree transmission disequilibrium test.We found that our approach performed equally well or better when only some proportion of the individuals in the two tails were genotyped compared with its performance when all the individuals in the pedigree were genotyped.     

NbC纳米析出相对低合金高强钢氢致开裂的影响研究

We investigated the effect of nanosized NbC precipitates on hydrogen-induced cracking (HIC) of high-strength low-alloy steel by conducting slow-strain-rate tensile tests (SSRT) and performing continuous hydrogen charging and fracture analysis. The results reveal that the HIC resistance of Nb-bearing steel is obviously superior to that of Nb-free steel, with the fractured Nb-bearing steel in the SSRT exhibiting a smaller ratio of elongation reduction (I_δ). However, as the hydrogen traps induced by NbC precipitates approach hydrogen saturation, the effect of the precipitates on the HIC resistance attenuate. We speculate that the highly dispersed nanosized NbC precipitates act as irreversible hydrogen traps that hinder the accumulation of hydrogen at potential crack nucleation sites. In addition, much like Nb-free steel, the Nb-bearing steel exhibits both H-solution strengthening and the resistance to HIC.     

烧结温度对纳米石墨烯增强ZA27基复合材料孔隙比和力学性能的影响

Nano graphene platelet (Gr) reinforced nano composites with a zinc–aluminum alloy (ZA27) matrix were produced by powder metallurgy at four different mass ratios (0.5wt%, 1.0wt%, 2.0wt% and 4.0wt%) and three different sintering temperatures (425, 450, and 475°C). In order to investigate the effect of sintering temperatures and nano graphene reinforcement materials on the composite structure, the microstructures of the composite samples were investigated and their densities were determined with a scanning electron microscope. Hardness, transverse rupture, and abrasion wear tests were performed to determine the mechanical properties. According to the test results, the porosity increased and the mechanical strength of the nano composites decreased as the amount of nano graphene reinforcement in ZA27 increased. However, when the composites produced in different reinforcement ratios were evaluated, the increase in sintering temperature increased the mechanical structure by positively affecting the composite structure.     

搅拌摩擦法和搅拌摩擦振动法制备镁表面纳米复合材料的对比研究

Friction stir processing (FSP) can be used to improve surface composites. In this study, a modified method of FSP called friction stir vibration processing (FSVP) was applied to develop a surface composite on AZ91 magnesium alloy. In this technique, the workpiece is vibrated normal to the processing direction. The results illustrated that compared with the FSP method, the FSVP caused a better homogeneous distribution of SiC particles in the microstructure. The results also showed that matrix grains of friction stir vibration processed (FSV-processed) samples ((26.43 ± 2.00) μm) were finer than those of friction stir processed (FS-processed) specimens ((39.43 ± 2.00) μm). The results indicated that the ultimate tensile strength (UTS) of FSV-processed specimens (361.82 MPa) was higher than that of FS-processed specimens (324.97 MPa). The higher plastic strain in the material during FSVP, due to workpiece vibration, resulted in higher dynamic recrystallization, and consequently, finer grains were developed. The elongation and formability index of the FSV-processed specimen (16.88% and 6107.52 MPa·%, respectively) were higher than those of the FS-processed sample (15.24% and 4952.54 MPa·%, respectively). Moreover, the effects of FSVP were also found to intensify as the vibration frequency increased.     

PLGA/硬石复合涂层镁基纳米复合材料在植入应用时的体外生物活性和腐蚀行为

A type of polymer/ceramic coating was introduced on a magnesium-based nanocomposite, and the nanocomposite was evaluated for implant applications. The microstructure, corrosion, and bioactivity of the coated and uncoated samples were assessed. Mechanical alloying followed by sintering was applied to fabricate the Mg–3Zn–0.5Ag–15NiTi nanocomposite substrate. Moreover, different contents of poly(lactic-co-glycolic acid) (PLGA) coatings were studied, and 10wt% of PLGA content was selected. The scanning electron microscopy (SEM) images of the bulk nanocomposite showed an acceptable homogenous dispersion of the NiTi nanoparticles (NPs) in the Mg-based matrix. In the in vitro bioactivity evaluation, following the immersion of the uncoated and coated samples in a simulated body fluid (SBF) solution, the Ca/P atomic ratio demonstrated that the apatite formation amount on the coated sample was greater than that on the uncoated nanocomposite. Furthermore, assessing the corrosion resistance indicated that the coatings on the Mg-based substrate led to a corrosion current density (i_corr) that was considerably lower than that of the substrate. Such a condition revealed that the coating would provide an obstacle for the corrosion. Based on this study, the PLGA/hardystonite (HT) composite-coated Mg–3Zn–0.5Ag–15NiTi nanocomposite may be suitably applied as an orthopedic implant biomaterial.     

不同应变速率下Mg?B4C纳米复合材料的力学性能表征

Magnesium has wide application in industry. The main purpose of this investigation was to improve the properties of magnesium by reinforcing it using B₄C nanoparticles. The reinforced nanocomposites were fabricated using a powder compaction technique for 0, 1.5vol%, 3vol%, 5vol%, and 10vol% of B₄C. Powder compaction was conducted using a split Hopkinson bar (SHB), drop hammer (DH), and Instron to reach different compaction loading rates. The compressive stress–strain curves of the samples were captured from quasi-static and dynamic tests carried out using an Instron and split Hopkinson pressure bar, respectively. Results revealed that, to achieve the highest improvement in ultimate strength, the contents of B₄C were 1.5vol%, 3vol%, and 3vol% for Instron, DH, and SHB, respectively. These results also indicated that the effect of compaction type on the quasi-static strength of the samples was not as significant, although its effect on the dynamic strength of the samples was remarkable. The improvement in ultimate strength obtained from the quasi-static stress–strain curves of the samples (compared to pure Mg) varied from 9.9% for DH to 24% for SHB. The dynamic strength of the samples was improved (with respect to pure Mg) by 73%, 116%, and 141% for the specimens compacted by Instron, DH, and SHB, respectively. The improvement in strength was believed to be due to strengthening mechanisms, friction, adiabatic heating, and shock waves.     

Synthesis,Characteristics and Applications of Fibrous Composites with Immobilized Nanomolecular Layers of Ferrocyanides and Phosphates of Some d-Elements

1 Results The general principle of the synthesis of fibrous inorganic ion-exchanging composites, containing the combination of polymer analogous conversion reactions of the fibres and cycles of ion-molecular layering is advanced. Synthesis of thin nanomolecular layers of the acid Ti(Ⅳ) and Zr(Ⅳ) phosphates on surface of the cotton fibres and Cu(Ⅱ) and Fe(Ⅲ) ferrocyanides-on polyacrylonitrile fibres was performed on the basis of this principle. By the method of X-ray analysis it was stated that the formed pellicular inorganic layers have a crystalline structure. The synthesis of thin layers of Cu(Ⅱ) and Fe(Ⅲ) hexacyanoferrates (Ⅱ) was performed by the method of the chemosorption layering on a matrix which represented the derivatives of polyacrylonitrile fibres containing HO-N=C·-NH2 groups with the degree of substitution of CN-groups about 50%. According to the data from the X-ray studying of the synthesized pellicular hexacyanoferrates, their composition is described by the formulas KxCu(2-x)[Fe(CN)6]·4H2O and KxFe(4-x)[Fe(CN)6]3 (compounds Ⅰand Ⅱ respectively). By the methods of IR-spectroscopy, formation of heteroatomic cycles by polyacrylonitrile derivatives (with participation of strong H-bonds) was shown. They were capable to disintegrate under the effect ofthe ions of d-metals. It is suggested that strong adhesion of the layers withthe matrix is caused by formation of linkage between [Fe(CN)6]4-ions and the ions in chelates' composition through CN-bridges. The equilibrium ion-exchange capacity on the Rubidium, Cesium and Thallium ions linearly depends on the layer's thickness, which is determined by the number of layering cycles (n) and is equal to 1.0 mmol·g-1 when n=8. Theion-exchange property testing of the synthesized compositions on the basis of the acid Ti(Ⅳ) and Zr(Ⅳ) phosphates was carried out by sorption from water solutions of the strontium and caesium-137 ions, on the basis of the Cu(Ⅱ) and Fe(Ⅲ) ferrocyanides-stable and radioactive caesium isotopes. There is a linear dependency of ion-exchange capacity on the amount of the cycles layering in case the acid Ti(Ⅳ)and Zr(Ⅳ) phosphates is observed. Moreover, the equality of the ionite ion-exchange capacity both on ion strontium, and on ion caesium is observed under fourfold cycle layering. S-figurative nature of such dependence was stated for ferrocyanides. It is shown that the process of the ion exchange proceeding in two stages. The full ion-exchange capacity of ionites on the basis of the acid Ti(Ⅳ) and Zr(Ⅳ) phosphates reaches 2.0 mmol-equ/g, but on the basis Cu(Ⅱ) and Fe(Ⅲ) ferrocyanides-1.0 mmol-equ/g. Ion-exchange equilibrium on synthesized ionites is reachedapproximately 30 times faster, than on corresponding powdery crystalline phosphates and ferrocyanides. Conclusion about prospect of the synthesized material usage in ion-exchange technology, including for extraction of radionuclides is made.     

功能梯度Ni?W/Er2O3稀土纳米颗粒复合膜的电沉积

Multi-layered functionally graded (FG) structure Ni?W/Er₂O₃ nanocomposite films were prepared by continuously changing the deposition parameters, in which the Er₂O₃ and W contents varied with thickness. The microstructure and chemical composition of the electrodeposited Ni?W/Er₂O₃ films were determined by scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS). The anti-corrosion and wear properties of the electrodeposition films were investigated by electrochemical measurement and ball-on-disk friction test. The microhardness distribution of the cross section of nanocomposites was measured by nanoindentation. The results showed that with decreasing agitation rate or increasing average current density, the contents of Er₂O₃ nanoparticles and tungsten were distributed in a gradient along the thickness, and the contents on the surface were larger. By comparison, FG Ni?W/Er₂O₃ films had better anti-corrosion and wear properties than the uniform Ni?W/Er₂O₃ films. Atomic force microscopy (AFM) and profilometry measurements indicated that Er₂O₃ nanoparticles had an effect on the surface roughness.     

Structural and mechanical properties of amorphous carbon films deposited by the dual plasma technique

Direct current metal filtered cathodic vacuum arc (FCVA) and acetylene gas (C₂H₂) were wielded to synthesize Ti-containing amorphous carbon films on Si (100). The influence of substrate bias voltage and acetylene gas on the microstructure and mechanical properties of the films were investigated. The results show that the phase of TiC in the (111) preferential crystallographic orientation exists in the film,and the main existing pattern of carbon is sp2. With increasing the acetylene flow rate,the contents of Ti and TiC phase of the film gradually reduce; however,the thickness of the film increases. When the substrate bias voltage reaches -600 V,the internal stress of the film reaches 1.6 GPa. The micro-hardness and elastic modulus of the film can reach 33.9 and 237.6 GPa,respectively,and the friction coefficient of the film is 0.25.     

Progress in the study of mercury methylation and demethylation in aquatic environments

Mercury(Hg) and its compounds are a class of highly toxic and pervasive pollutants.During the biogeochemical cycling of Hg,methylmercury(MeHg),a potent neurotoxin,can be produced and subsequently bioaccumulated along the food chain in aquatic ecosystems.MeHg is among the most widespread contaminants that pose severe health risks to humans and wildlife.Methylation of inorganic mercury to MeHg and demethylation of MeHg are the two most important processes in the cycling of MeHg,determining the levels of MeHg in aquatic ecosystems.This paper reviews recent progress on the study of Hg methylation and demethylation in aquatic environments,focusing on the following three areas:(1) sites and pathways of Hg methylation and demethylation,(2) bioavailability of Hg species for methylation and demethylation,and(3) application of isotope addition techniques in quantitatively estimating the net production of MeHg.