Syntheses and catalytic performances of three coordination polymers with tetracarboxylate ligands

Three zincand cobaltcoordination polymers,namely{[Zn_(2)(μ_(6)-adip)(phen)_(2)]·4H_(2)O}_(n)(1),{[Co_(2)(μ_(6)-adip)(bipy)_(2)]·4H_(2)O}_(n)(2),and[Co_(2)(μ4-adip)(μ-bpa)_(2)]_(n)(3)have been constructed hydrothermally using H4adip(H4adip=5,5′-azanediyldiisophthalic acid),phen(phen=1,10-phenanthroline),bipy(bipy=2,2′-bipyridine),bpa(bpa=bis(4-pyridyl)amine),and zinc and cobalt chlorides at 160℃.The products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses,and single-crystal X-ray diffrac-tion analyses.Single-crystal X-ray diffraction analyses revealed that three compounds crystallize in the orthorhom-bic system Pnna(1 and 2)or P21212(3)space groups.All compounds exhibit 3D frameworks.The catalytic perfor-mances in the Henry reaction of these compounds were investigated.Compound 3 exhibited an effective catalytic activity in the Henry reaction at 70℃.CCDC:2339391,1;2339392,2;2339393,3.

Research progress on the application of ferulic acid in cosmetics

Ferulic acid is a phenolic compound widely exists in plants.Currently ferulic acid on the market is mainly extracted from plants,but it can also be obtained via biosynthesis or chemical synthesis.The biosynthesis method has a great potential for future production of ferulic acid.Ferulic acid is frequently used as a whitening ingredient in cosmetics,since it reduces melanin production by competitively inhibiting tyrosinase activity.It also has strong antioxidant activity,including elimination of free radicals,inhibition of ROS production,and regulation of various signaling pathways and the activity of antioxidant enzymes.The anti-UV activity of ferulic acid makes it applicable in sunscreen cosmetics.It can absorb UV rays and inhibit UVB-induced matrix metalloproteinase MMP-2 and MMP-9 activities to attenuate the damage caused by UV radiation.Ferulic acid is also reported to display protective effects on human keratinocytes and human skin fibroblasts.In addition,it is found to have effective anti-aging effect,mainly through inhibiting the degradation of hyaluronic acid by reducing the activities of collagenase and hyaluronidase,and inducing the biosynthesis of pre-collagen and hyaluronic acid.Ferulic acid shows potential for the treatment of atopic dermatitis,psoriasis and other inflammatory diseases of the skin.Its anti-inflammatory effect results from the inhibition of multiple inflammatory factors and signaling pathways.Ferulic acid displays broad-spectrum antibacterial effect,by damaging the cell membranes of bacteria and fungi which leads to membrane leakage and cell death.Furthermore,ferulic acid can also promote skin healing and regeneration.However,the instability of ferulic acid limits its applications in cosmetics.

Syntheses,crystal structures,and catalytic properties of three zinc(Ⅱ),cobalt(Ⅱ)and nickel(Ⅱ)coordination polymers constructed from 5⁃(4⁃carboxyphenoxy)nicotinic acid

Three zinc(Ⅱ),cobalt(Ⅱ),and nickel(Ⅱ)coordination polymers,namely[Zn(μ^(3-)cpna)(μ-dpea)_(0.5)]_(n)(1),[Co(μ^(3-)cpna)(μ-dpey)_(0.5)]_(n)(2),and[Ni(μ^(3-)cpna)(μ-dpey)_(0.5)(H_(2)O)]_(n)(3),have been constructed hydrothermally using H_(2)cpna(5-(4-carboxyphenoxy)nicotinic acid),dpea(1,2-di(4-pyridyl)ethane),dpey(1,2-di(4-pyridyl)ethylene),and zinc,cobalt,and nickel chlorides at 160℃.The products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses,and single-crystal X-ray diffraction analyses.Single-crystal X-ray diffraction analyses revealed that three compounds crystallize in the triclinic system,space group P1.Compounds 1-3 show 2D layer structures.The catalytic activities in the Knoevenagel condensation reaction of these compounds were investigated.Compounds 1 and 2 exhibit effective catalytic activities in the Knoevenagel condensa-tion reaction at room temperature.For this reaction,various parameters were optimized,followed by the investiga-tion of the substrate scope.CCDC:2335676,1;2335677,2;2335678,3.

Implications of 1.5 K climate warming on warm-season ozone exposure and atmospheric oxidation capacity in China

Surface ozone(O_(3))poses significant threats to public health,agricultural crops,and plants in natural ecosystems.Global warming is likely to increase future O_(3)mainly by altering atmospheric photochemical reactions and enhancing biogenic volatile organic compound(BVOC)emissions.To assess the impacts of the future 1.5 K climate target on O_(3)concentrations and ecological O_(3)exposure in China,numerical simulations were conducted using the CMAQ(Community Multiscale Air Quality)model during April-October 2018.Ecological O_(3)exposure was estimated using six indices(i.e.,M7,M24,N100,SUM60,W126,and AOT40f).The results show that the temperature rise increases the MDA8 O_(3)(maximum daily eight-hour average O_(3))concentrations by∼3 ppb and the number of O_(3)exceedance days by 10-20 days in the North China Plain(NCP),Yangtze River Delta(YRD),and Sichuan Basin(SCB)regions.All O_(3)exposure indices show substantial increases.M24 and M7 in eastern and southern China will rise by 1-3 ppb and 2-4 ppb,respectively.N100 increases by more than 120 h in the surrounding regions of Beijing.SUM60 increases by greater than 9 ppm h^(−1),W126 increases by greater than 15 ppm h^(−1)in Shaanxi and SCB,and AOT40f increases by 6 ppm h^(−1)in NCP and SCB.The temperature increase also promotes atmospheric oxidation capacity(AOC)levels,with the higher AOC contributed by OH radicals in southern China but by NO_(3)radicals in northern China.The change in the reaction rate caused by the temperature increase has a greater influence on O_(3)exposure and AOC than the change in BVOC emissions.

人本教育与学生的创新素质培养

长期以来 ,我们的教育过分地强调其功利性的目的 ,将学生当作对象物 ,将分数、升学作为评价教师和学生成功的标准 ,教育成了外在于人本身发展的一种“物性化”的东西 ,它严重地束缚了学生的个性发展 ,抑制了学生创造潜能的发挥。只有在教育中渗透“以人为本”的教育观念 ,关注人性 ,提倡并尊重人的个性发展 ,才能从根本上解放教师和学生 ,并通过一系列有助于学生个性发展的教育手段 ,使学生的创新素质培养落到实处。

Single atom doping induced charge-specific distribution of Cu1-TiO_(2) for selective aniline oxidation via a new mechanism

Utilizing single atom sites doping into metal oxides to modulate their intrinsic active sites,achieving precise selectivity control in complex organic reactions,is a highly desirable yet challenging endeavor.Meanwhile,identifying the active site also represents a significant obstacle,primarily due to the intricate electronic environment of single atom site doped metal oxide.Herein,a single atom Cu doped TiO_(2)catalyst(Cu_(1)-TiO_(2)) is prepared via a simple“colloid-acid treatment”strategy,which switches aniline oxidation selectivity of TiO_(2) from azoxybenzene to nitrosobenzene,without using additives or changing solvent,while other metal or nonmetal doped TiO_(2) did not possess.Comprehensive mechanistic investigations and DFT calculations unveil that Ti-O active site is responsible for triggering the aniline to form a new PhNOH intermediate,two PhNOH condense to azoxybenzene over TiO_(2) catalyst.As for Cu_(1)-TiO_(2),the charge-specific distribution between the isolated Cu and TiO_(2) generates unique Cu_(1)-O-Ti hybridization structure with nine catalytic active sites,eight of them make PhNOH take place spontaneous dissociation to produce nitrosobenzene.This work not only unveils a new mechanistic pathway featuring the PhNOH intermediate in aniline oxidation for the first time but also presents a novel approach for constructing single-atom doped metal oxides and exploring their intricate active sites.

Significant contributions of the petroleum industry to volatile organic compounds and ozone pollution:Insights from year-long observations in the Yellow River Delta

The petroleum industry is a significant source of anthropogenic volatile organic compounds(VOCs),but up to now,its exact impact on urban VOCs and ozone(O_(3))remains unclear.This study conducted year-long VOC ob-servations in Dongying,China,a petroleum industrial region.The VOCs from the petroleum industry(oil and gas volatilization and petrochemical production)were identified by employing the positive matrix factorization model,and their contribution to O_(3) formation was quantitatively evaluated using an observation-based chemical box model.The observed annual average concentration of VOCs was 68.6±63.5 ppbv,with a maximum daily av-erage of 335.3 ppbv.The petroleum industry accounted for 66.5%of total VOCs,contributing 54.9%from oil and gas evaporation and 11.6%from petrochemical production.Model results indicated that VOCs from the petroleum industry contributed to 31%of net O_(3) production,with 21.3%and 34.2%contributions to HO_(2)+NO and RO_(2)+NO pathways,respectively.The larger impact on the RO_(2) pathway is primarily due to the fact that OH+VOCs ac-count for 86.9%of the primary source of RO_(2).This study highlights the critical role of controlling VOCs from the petroleum industry in urban O_(3) pollution,especially those from previously overlooked low-reactivity alkanes.

Understanding the roles of Brønsted/Lewis acid sites on manganese oxide-zeolite hybrid catalysts for low-temperature NH_(3)-SCR

Although metal oxide-zeolite hybrid materials have long been known to achieve enhanced catalytic activity and selectivity in NO_(x)removal reactions through the inter-particle diffusion of intermediate species,their subsequent reaction mechanism on acid sites is still unclear and requires investigation.In this study,the distribution of Brønsted/Lewis acid sites in the hybrid materials was precisely adjusted by introducing potassium ions,which not only selectively bind to Brønsted acid sites but also potentially affect the formation and diffusion of activated NO species.Systematic in situ diffuse reflectance infrared Fourier transform spectroscopy analyses coupled with selective catalytic reduction of NO_(x)with NH_(3)(NH_(3)-SCR)reaction demonstrate that the Lewis acid sites over MnO_(x)are more active for NO reduction but have lower selectivity to N_(2)than Brønsted acids sites.Brønsted acid sites primarily produce N_(2),whereas Lewis acid sites primarily produce N_(2)O,contributing to unfavorable N_(2)selectivity.The Brønsted acid sites present in Y zeolite,which are stronger than those on MnO_(x),accelerate the NH_(3)-SCR reaction in which the nitrite/nitrate species diffused from the MnO_(x)particles rapidly convert into the N_(2).Therefore,it is important to design the catalyst so that the activated NO species formed in MnO_(x)diffuse to and are selectively decomposed on the Brønsted acid sites of H-Y zeolite rather than that of MnO_(x)particle.For the physically mixed H-MnO_(x)+H-Y sample,the abundant Brønsted/Lewis acid sites in H-MnO_(x)give rise to significant consumption of activated NO species before their inter-particle diffusion,thereby hindering the enhancement of the synergistic effects.Furthermore,we found that the intercalated K+in K-MnO_(x)has an unexpected favorable role in the NO reduction rate,probably owing to faster diffusion of the activated NO species on K-MnO_(x)than H-MnO_(x).This study will help to design promising metal oxide-zeolite hybrid catalysts by identifying the role of the acid sites in two different constituents.

Influence of functionalized graphene on the bacterial and fungal diversity of Vicia faba rhizosphere soil

The effect of functionalized graphene on the growth and development of Vicia faba L.was investigated by analyzing its impact on the composition and diversity of the microbial community in rhizosphere peat soil.Seedlings of V.faba planted in this peat soil were treated with either distilled water(CK)or 25 mg·L^(−1)(G25)of functionalized graphene solution.Results showed that the height and root length of V.faba seedlings in the G25 group were significantly larger than those in CK group.The microbial com-munity was analyzed by amplifying and sequencing the 16S rRNA gene V_(3)-V_(4) region of bacteria and internal transcribed spacer re-gion of fungi in rhizosphere soil using Illumina MiSeq technology.Alpha and beta diversity analysis indicated that functionalized graphene increased the richness and diversity of bacteria and fungi in the V.faba rhizosphere peat soil.The abundances of three ni-trogen cycling-related bacteria,Hydrogenophaga,Sphingomonas and Nitrosomonadaceae,were also altered after treatment with the functionalized graphene.The relative abundance of Basilicum,related to soil phosphorus solubilization,decreased in the fungal com-munity,while the relative abundance of Clonostachys and Dimorphospora,which exhibited strong biological control over numerous fungal plant pathogens,nematodes and insects,increased in the soil after functionalized graphene treatment.Redundancy analysis re-vealed that the potential of hydrogen(pH),organic matter,and total phosphorus contributed the most to the changes in bacterial and fungal community composition in the rhizosphere soil.Overall,our findings suggested that the addition of functionalized graphene altered the relative abundances of nitrogen and phosphorus cycling-related microorganisms in peat soil,promoting changes in the physicochemical properties of the soil and ultimately leading to the improved growth of V.faba plants.

Laser processing effects on Ti−45Nb alloy surface,corrosive and biocompatible properties

The Ti−45Nb(wt.%)alloy properties were investigated in relation to its potential biomedical use.Laser surface modification was utilized to improve its performance in biological systems.As a result of the laser treatment,(Ti,Nb)O scale was formed and various morphological features appeared on the alloy surface.The electrochemical behavior of Ti−45Nb alloy in simulated body conditions was evaluated and showed that the alloy was highly resistant to corrosion deterioration regardless of additional laser surface modification treatment.Nevertheless,the improved corrosion resistance after laser treatment was evident(the corrosion current density of the alloy before laser irradiation was 2.84×10^(−8)A/cm^(2),while that after laser treatment with 5 mJ was 0.65×10^(−8)A/cm^(2))and ascribed to the rapid formation of a complex and passivating bi-modal surface oxide layer.Alloy cytotoxicity and effects of the Ti−45Nb alloy laser surface modification on the MRC-5 cell viability,morphology,and proliferation were also investigated.The Ti−45Nb alloy showed no cytotoxic effect.Moreover,cells showed improved viability and adherence to the alloy surface after the laser irradiation treatment.The highest average cell viability of 115.37%was attained for the alloy laser-irradiated with 15 mJ.Results showed that the laser surface modification can be successfully utilized to significantly improve alloy performance in a biological environment.

Creep properties of bimetal Al/SiC/Cu compositesfabricated via accumulative roll bonding process

In the present study,microstructural evolution,mechanical and creep properties of Al/SiC/Cu composite stripsfabricated via accumulative roll bonding(ARB)process were studied.The obtained results showed the formation of anatomic diffusion layer with thickness of about 17μm at the interface during the ARB under three creep loadingconditions namely 30 MPa at 225℃,35 MPa at 225℃,and 35 MPa at 275℃.An generated intermetallic compoundresulted in a 40%increase of interface thickness near Al.The stress level decreased by 13%at constant temperature withno signi fi cant effect on the interface thickness,and the creep failure time declined by 44%.It was observed that atconstant temperatures,the second slope of the creep curve reached to 39%with increasing stress level,then,it dropped to2%with a little temperature rising.After creep test under 35 MPa at 275℃,the sample displays the presence of 60%Aland 40%Cu,containing brittle Al_(2)Cu intermetallic compound at the interface.Applied temperature and stress had effecton the creep properties,specially increasing the slope of creep curves with higher stresses.

Preparation and Anti⁃arc Erosion Property of Ag Matrix Electrical Contact Material Reinforced by Novel Ti_(2)Cd

Due to their outstanding electrical contact properties,Cd-containing silver-matrix electrical contact materials can meet the requirements of high stability and long life for military defense and aerospace applications.In order to further reduce the Cd content under the premise of meeting the high-performance requirements,in this study,high-purity intermediate Ti_(2)Cd powder of MAX phase(Ti_(2)CdC)was synthesized with a pressureless technique and then applied to reinforce the Ag matrix.The Cd content of the as-prepared Ag/Ti_(2)Cd composites was actually reduced by 38.31%compared with conventional Ag/CdO material.Based on the systematic study of the effect of heat treatment temperature on the physical phase,morphology,interface and comprehensive physical properties of Ag/Ti_(2)Cd composites,the preferred samples(heat treated at 400°C for 1 h)showed high density(97.77%),low resistivity(2.34μΩ·cm),moderate hardness(90.8HV),high tensile strength(189.9 MPa),and exhibited good electrical contact performance after 40000 cycles of arc discharging under severe conditions(DC 28 V/20 A).The results of microscopic morphological evolution,phase change and elemental distribution of the electrical contact surface show that the combination of high stability of Ti_(2)Cd reinforcing phase,good interfacial bonding with Ag matrix and improved melt pool viscosity in the primary stage of arc erosion,results in low and stable contact resistance(average value 13.20 mΩ)and welding force(average value 0.6 N),low fluctuation of static force(2.2-2.5 N).The decomposition and absorption energy of Ti_(2)Cd and the arc extinguishing effect of Cd vapor are the main reasons for the stable arcing energy and arcing time of electric contacts in the late stage of arc erosion.

Chemical Constituents from Starfish Asterias rollestoni

Aim To investigate novel bioactive and structural metabolites from marineorganisms. Methods Column chromatography in association with semi-preparative HPLC were used for theisolation of compounds. 1D and 2D NMR, IR, UV, and MS were employed for structure elucidation.Results From the butanol fraction of the 95% EtOH extract of the starfish Asterias rollestoni, a newcompound N^7 -2'-deoxypseudoxanthosine (1), along with sixteen known compounds, 2'-0-methyl-inosine(2), 2'-deoxyinosine (3), 2'-0-methylguanosine (4), inosine (5); thymine (6), uracil (7), thymidine(8), deoxyuridine (9), 2'-0-methyluridine (10), ( ― )-(1S, 3S)-1-methyl-1, 2, 3,4-terrahydro-β-carboline-3-carboxyl-ic acid (11), ( ― )-(1R, 3S)-1-methyl-1, 2, 3,4-tetrahydro-β-carboline-3-carboxylic acid (12) , ( ― )-(3S)- 1, 2, 3,4-tetrahydro-β-carboline-3-carboxylic acid (13), L-tryptophan (14), L-phenylalanine (15), 3-carboxyindole (16), and p-hydroxybenzoic acid (17) , have been isolated. Conclusion Compound 1 is a newnatural product, and compounds 8, 9 and 10 are isolated from natural sources for the first time, andthe known compounds except 14 and 15 are first reported from starfish Asterias rollestoni.

Genetic Diversity of Volatile Components in Xinjiang Wild Apple (Malus sieversii)

To evaluate genetic relationships using qualitative and/or quantitative differentiation of volatile components in Xinjiang Wild Apple （Malus sieversii （Lebed.） Roem.） and to acquire basic data for the conservation and utilization of the species, aroma components in ripe fruit of M. sieversii obtained from 30 seedlings at Mohe, Gongliu County, Xinjiang Autonomic Region, China, and in ripe fruit of 4 M. purnila cultivars （＇Rails＇, ＇Delicious＇, ＇Golden Delicious＇, and ＇Fuji＇） were analyzed using head space-solid phase microextraction and gas chromatography-mass spectrometry. The results indicated that the values of similarity coefficient concerning volatile types between the two species were in accordance with the evolution of M. pumila cultivars （forms）, and that M. sieversii seedlings showed considerable genetic variations in these aspects： the total content of volatile components, the classes and contents of each compound classes, the segregation ratio, and content of main components. The results showed significant difference among seedlings and wide genetic diversity within the populations. Comparison of the volatile components in M. sieversii with those in M. pumila cultivars showed that the common compounds whose number were larger than five with the contents over 0.04 mg/L simultaneously between M. sieversii and M. pumila cultivars belonged to esters, alcohols, aldehydes or ketones. This suggests fundamental identity in main volatile components of M. sieversii and M. pumila cultivars. The results above sustained the conclusion ＂M. sieversii is probably the ancestor ofM. purnila＂. However, there were 48 compounds present in M. puraila that were not detected in M. sieversii, including 6 character impact components （i.e., propyl acetate, （Z）-3-hexenal, 2-methyl-l-butanol acetate, pentyl acetate, 3-furanmethanol, and benzene acetaldehyde）. This suggested that in the domestication of M. pumila, introgression of other apple species, except for M. sieversii, by interspecies hybridization was possible. There were 177 compounds in total belonging to 11 classes detected in 30 M. sieversii seedlings, including esters, alcohols, ketones, aldehydes, acids, benzene ramifications, terpenes, heterocycles, hydrocarbon derivates, acetals, and lactones. Among them, acetals and lactones were not detected in M. pumila cultivars, 90 compounds were unique to M. sieversii, and 7 components （l-butanol, ethyl hutanoate, 1-hexanol, ethyl hexanoate, 3-octen-1-ol, ethyl octanoate, and damascenone） belonged to character impact odors. Thus, the potential of M. sieversii in ＂utilization conservation＂ is enormous as a rate germplasm on genetic improvement of M. pumila cultivars.

Herpetin, a New Bioactive Lignan Isolated from Herpetospermum caudigerum

Aim To study the chemical constituents of seeds of Herpetospermum caudigerum. Methods Column chromatography was used in the isolation procedure, and the structure was elucidated by spectral data, whose pharmacologic activity was assayed in vitro. Results A new compound named herpetin was isolated, whose structure was determined to be 3-benzofuran methanol-2, 3-dihydm-2-（4- hydroxy-3-methoxyphenyl ）-4-methoxy-6-[ tetrahydm-2-（ 3-hydroxy-4-methoxyphenyl ）-3-methanol ]-2- furanmethyl, showed significant inhibitory effects on HBV-DNA and the replication and expression of HBsAg and HBeAg. Conclusion Herpetin offers wide research and development prospect.

Effects of Drought Stress on Activity of POD and CAT in Wheat during Generation Period

[Objective] This study aimed to investigate the changes in activity of POD and CAT in wheat during generation period under drought stress. [Method] Four wheat cultivars, including Yunong 51, Zhoumai 22, Jimai 19 and Huaimai 22, were selected as experimental materials and cultured under drought stress simulated by different concentrations of PEG6000, to determine the activity of POD and CAT. [Result] POD and CAT activity in wheat during generation period increased gradual y under stress of 5% and 15% PEG6000 from 0 to 120 h; POD and CAT activity in wheat under stress of 15% PEG6000 increased more compared with that under stress of 5% PEG6000; POD and CAT activity in wheat under stress of 25% and 35% PEG6000 increased first and then decreased. Stress duration significantly af-fected the activity of POD and CAT in wheat during generation period. [Conclusion] This study provided theoretical references for breeding drought-tolerant wheat.

Electrosynthesis and physicochemical properties ofα-PbO_2-CeO_2-TiO_2 composite electrodes

In order to investigate the effect of solid particles dopants on physicochemical properties of α-PbO2 electrodes, a-PbO2 composite electrodes doped with nano-TiO2 and nano-CeO2 particles were respectively prepared on A1/conductive coating electrodes in 4 mol/L NaOH solution with addition of PbO until saturation by anodic codeposition. The electrodeposition mechanism, morphology, composition and structure of the composite electrodes were characterized by cyclic voltarnmogram （CV）, SEM, EDAX and XRD. Results show that the doping solid particles can not change reaction mechanism of α-PbO2 electrode in alkaline or acid plating bath, but can improve deposition rate and reduce oxygen evolution potential. The doping solid particles can inhibit the growth of a-PbO2 unit cell and improve specific surface area. The diffraction peak intensity of a-PbO2-CeO2-TiO2 composite electrode is lower than that of pure a-PbO2 electrode. The electrocatalytic activity of a-PbO2-2.12%CEO2-3.71%TIO2 composite electrode is the best. The Guglielmi model for CeO2 and TiO2 codeposition with a-PbO2 is also pronosed.

Effect of inclusion on service properties of GW103K magnesium alloy

The effects of inclusions on microstructure, mechanical property, corrosion behavior of Mg-10Gd-3Y （GW103K） alloys by unrefining, MgO ceramic filtering and JDMJ flux refining were investigated, respectively. The results indicate that with decreasing significantly the number and size grade of inclusions for the alloy refined with JDMJ flux, tensile strength and elongation increase; however, the yield strength is less than that of the alloy refined with MgO ceramic filter and unrefined alloy. With the decrease of the inclusions contents, the corrosion rate of the alloys quickly vary from 2.419 mg/（cm 2 ·d） to 1.265 mg/（cm 2 ·d）. After inclusion content is reduced to 0.385%, the corrosion rate has almost no changes. Finally, the relationship between the volume fraction of inclusions and service properties of GW103K alloy under different conditions are established quantitatively.

Promotional effects of Zr on K^+-poisoning resistance of CeTiO_x catalyst for selective catalytic reductionof NO_x with NH_3

CeTiOx and CeZrTiOx catalysts were prepared by a coprecipitation method and used for selective catalytic reduction of NOx by NH3 （NH3‐SCR）. Various amounts of KNO3 were impregnated on the catalyst surface to investigate the effects of Zr addition on the K＋‐poisoning resistance of the CeTiOx catalyst. The NH3‐SCR performance of the catalysts showed that the NOx removal activity of the Zr‐modified catalyst after poisoning was better than that of the CeTiOx catalyst. Brunau‐er‐Emmett‐Teller data indicated that the Zr‐containing catalyst had a larger specific surface area and pore volume both before and after K＋poisoning. X‐ray diffraction, Raman spectroscopy, and transmission electron microscopy showed that Zr doping inhibited anatase TiO2 crystal grain growth, i.e., the molten salt flux effect caused by the loaded KNO3 was inhibited. The Ce 3d X‐ray photoelectron spectra showed that the Ce3＋/Ce4＋ratio of CeZrTiOx decreased more slowly than that of CeTiOx with increasing K＋loading, indicating that Zr addition preserved more crystal defects and oxygen vacancies; this improved the catalytic performance. The acidity was a key factor in the NH3‐SCR performance; the temperature‐programmed desorption of NH3 results showed that Zr doping inhibited the decrease in the surface acidity. The results suggest that Zr improved the K＋‐poisoning resistance of the CeTiOx catalyst.

A first-principles study on elastic properties and stability of Ti_xV_(1-x)C multiple carbide

The structure,stability and elastic properties of di-transition-metal carbides TixV1-xC were investigated by using the first-principles with a pseudopotential plane-waves method.The results show that the equilibrium lattice constants of TixV1-xC show a nearly linear reduction with increasing addition of V.The elastic properties of TixV1-xC are varied by doping with V.The bulk modulus of Ti0.5V0.5C is larger than that of pure TiC,as well as Ti0.5V0.5C has the largest C44 among TixV1-xC（0≤x≤1）,indicating that Ti0.5V0.5C has higher hardness than pure TiC.However,Ti0.5V0.5C presents brittleness based on the analysis of ductile/brittle behavior.The Ti0.5V0.5C carbide has the lowest formation energy,indicating that Ti0.5V0.5C is more stable than all other alloys.