An automated method to optimize the definition of the progress variables in the flamelet-based dimension reduction is proposed. The performance of these optimized progress variables in coupling the flamelets and flow ...An automated method to optimize the definition of the progress variables in the flamelet-based dimension reduction is proposed. The performance of these optimized progress variables in coupling the flamelets and flow solver is presented. In the proposed method, the progress variables are defined according to the first two principal components (PCs) from the principal component analysis (PCA) or kernel-density-weighted PCA (KEDPCA) of a set of flamelets. These flamelets can then be mapped to these new progress variables instead of the mixture fraction/conventional progress variables. Thus, a new chemistry look-up table is constructed. A priori validation of these optimized progress variables and the new chemistry table is implemented in a CH4/N2/air lift-off flame. The reconstruction of the lift-off flame shows that the optimized progress variables perform better than the conventional ones, especially in the high temperature area. The coefficient determinations (R2 statistics) show that the KEDPCA performs slightly better than the PCA except for some minor species. The main advantage of the KEDPCA is that it is less sensitive to the database. Meanwhile, the criteria for the optimization are proposed and discussed. The constraint that the progress variables should monotonically evolve from fresh gas to burnt gas is analyzed in detail.展开更多
5-Substituted benzylidene 3-acylthiotetronic acids are antifungal.A series of 3-acylthiotetronic acid derivatives with varying substitutions at the 5-position were designed,synthesized,and characterized,based on the b...5-Substituted benzylidene 3-acylthiotetronic acids are antifungal.A series of 3-acylthiotetronic acid derivatives with varying substitutions at the 5-position were designed,synthesized,and characterized,based on the binding pose of 3-acyl thiolactone with the protein C171Q KasA.Fungicidal activities of these compounds were screened against Valsa Mali,Curvularia lunata,Fusarium graminearum,and Fusarium oxysporum f.sp.lycopersici.Most target compounds exhibited excellent fungicidal activities against target fungi at the concentration of 50μg·mL-1.Compounds 11c and 11i displayed the highest activity with a broad spectrum.The median effective concentration(EC50)values of 11c and 11i were 1.9–10.7 and 3.1–7.8μg·mL-1,respectively,against the tested fungi,while the EC50 values of the fungicides azoxystrobin,carbendazim,and fluopyram were respectively 0.30,4.22,and>50μg·mL-1 against V.Mali;6.7,41.7,and 0.18μg·mL-1 against C.lunata;22.4,0.42,and 0.43μg·mL-1 against F.graminearum;and 4.3,0.12,and>50μg·mL-1 against F.oxysporum f.sp.lycopersici.The structures and activities of the target compounds against C.lunata were analyzed to obtain a statistically significant comparative molecular field analysis(CoMFA)model with high prediction abilities(q2=0.9816,r2=0.8060),and its reliability was verified.The different substituents on the benzylidene at the 5-position had significant effects on the activity,while the introduction of a halogen atom at the benzene ring of benzylidene was able to improve the activity against the tested fungi.展开更多
This study aimed to investigate the potential mitigating effects of N-acyl homoserine lactonase(AHLase)on the virulence of Salmonella typhimurium and its induction of intestinal damages in broilers.In vitro study was ...This study aimed to investigate the potential mitigating effects of N-acyl homoserine lactonase(AHLase)on the virulence of Salmonella typhimurium and its induction of intestinal damages in broilers.In vitro study was firstly conducted to examine if AHLase treatment could attenuate the virulence of S.typhimurium.Then,an in vivo experiment was performed by allocating 240 broiler chicks at 1 d old into 3 groups(8 replicates per group):negative control(NC),positive control(PC),and PC supplemented with 10,000 U/kg AHLase.All chicks except those in NC were orally challenged by S.typhimurium from 8to 10 d of age.Parameters were measured on d 11 and 21.The results showed that treatment with 1 U/mL AHLase suppressed the biofilm-forming ability(including biofilm biomass,extracellular DNA secretion and biofilm formation-related gene expression),together with swarming motility and adhesive capacity of S.typhimurium.Supplemental 10,000 U/kg AHLase counteracted S.typhimurium-induced impairments(P<0.05)in broiler growth performance(including final body weight,average daily gain and average daily feed intake)during either 1-11 d or 12-21 d,and increases(P<0.05)in the indexes of liver,spleen and bursa of Fabricius on d 11,together with reductions(P<0.05)in ileal villus height and its ratio to crypt depth on both d 11 and 21.AHLase addition also normalized the increased(P<0.05)m RNA expression of ileal occludin on both d 11 and 21 in S.typhimurium-challenged broilers.However,neither S.typhimurium challenge nor AHLase addition altered(P>0.05)serum diamine oxidase activity of broilers.Noticeably,S.typhimurium challenge caused little change in the mRNA expression of ileal inflammatory cytokines except for an increase(P<0.05)in interleukin-8 expression on d 11,whereas AHLase addition normalized(P<0.05)this change.In conclusion,AHLase treatment could attenuate the virulence and pathogenicity of S.typhimurium,thus contributing to alleviate S.typhimurium-induced growth retardation and intestinal damages in broilers.展开更多
It is still a challenge to eliminate efficiently fluoride ion from groundwater,especially to design and synthesis an adsorbent possessing high adsorption capacity,recyclability and wide pH application conditions.Herei...It is still a challenge to eliminate efficiently fluoride ion from groundwater,especially to design and synthesis an adsorbent possessing high adsorption capacity,recyclability and wide pH application conditions.Herein we present millimeter-sized sulfate-type zirconium alginate hydrogel beads with 3D network structure(AHB@Zr-SO^(2−)_(4))that exhibited a maximum adsorption capacity of 101.3 mg/g with wide pH applicability(pH 3−9).This material have~2.5 times higher adsorption capacity than that of pure zirconium alginate hydrogel beads(AHB@Zr)and it was ascribed to ion exchange between SO^(2−)_(4)and F−on the surface of AHB@Zr-SO^(2−)_(4),which was verified via ion chromatography measurement coupled with X-ray photoelectron spectroscopy(XPS)and Fourier Transform Infrared Spectrometer(FTIR Spectrometer)analysis.Density functional theory(DFT)calculations indicated that the ion exchange process between SO^(2−)_(4)and F−in AHB@Zr-SO^(2−)_(4)was energetically favorable than OH^(−)and F^(−)in AHB@Zr.In addition,310 bed volumes(BV)of effluent was realized via column adsorption of groundwater containing fluoride on AHB@Zr-SO^(2−)_(4)and indicated that it is a promising candidate for mitigating the problem of fluoride-containing groundwater.展开更多
基金supported by the Natural Science Foundation of Jiangsu Province(BK20160936,BK20160938)the National Natural Science Foundation of China(51708297)the Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)~~
文摘近几年过一硫酸盐(PMS)活化技术备受关注,其中利用太阳能活化PMS具有可持续和环保的优势,但PMS本身不吸收可见光.因此,本文提出利用具有可见光响应的石墨相氮化碳(g-C3N4)激发产生光电子进而活化PMS.首先利用三聚氰胺前驱体通过热缩聚法制备g-C3N4,通过X射线衍射(XRD)、傅里叶变换红外光谱(FT-IR)、紫外-可见光漫反射(UV-Vis)、荧光光谱(PL)、透射电镜(TEM)、N2吸附脱附测试(BET)、电化学等一系列方法对g-C3N4进行表征,研究其表面性质及光学性能.结果显示, g-C3N4具有典型的片层结构和可见光活性,禁带宽度为2.7 e V.本文选取光惰性的内分泌干扰物邻苯二甲酸二甲酯(DMP)为目标污染物,系统地研究了其降解动力学和降解机理.研究发现,在短波紫外光(254和300nm)照射下,直接光解和·OH参与的反应机理能实现DMP的光降解,而在可见光照射下g-C3N4介导的光催化过程不能使DMP分解;但当添加PMS时,体系主导自由基由·O2–转化为SO4·–和·OH,从而实现DMP的有效降解和矿化.研究还发现,高浓度的PMS和高剂量的g-C3N4均可以提高PMS的活化量和相应的DMP降解效率,但提高催化剂剂量的方式能更充分的利用PMS.尽管高浓度的DMP阻碍了PMS和光催化剂g-C3N4的有效接触,但可以提高PMS的利用率.当p H低于零电荷点(5.4)时, DMP的降解效率较高.此外,使用两种淬灭剂(乙醇和叔丁醇)与DMP进行竞争性实验,结合电子自旋共振检测,表明SO4·–和·OH都是体系主要的自由基.此外,还对g-C3N4的可持续性能进行考察,四次循环实验结果显示,该催化剂具有良好的可重复利用性.对DMP降解进行总有机碳测定,发现降低了19%.最后,利用液相色谱质谱联用对DMP降解产物进行定性定量分析,发现DMP主要通过SO4·–和·OH对苯环的攻击以及脂肪族链的氧化断键这两种途径进行降解.综上可见,利用可见光激发g-C3N4产生的光电子能有效活化PMS降解顽固型有机污染物,可为实现太阳能活化PMS技术提供有力的技术参考.
基金Project supported by the National Natural Science Foundation of China(Nos.50936005,51576182,and 11172296)
文摘An automated method to optimize the definition of the progress variables in the flamelet-based dimension reduction is proposed. The performance of these optimized progress variables in coupling the flamelets and flow solver is presented. In the proposed method, the progress variables are defined according to the first two principal components (PCs) from the principal component analysis (PCA) or kernel-density-weighted PCA (KEDPCA) of a set of flamelets. These flamelets can then be mapped to these new progress variables instead of the mixture fraction/conventional progress variables. Thus, a new chemistry look-up table is constructed. A priori validation of these optimized progress variables and the new chemistry table is implemented in a CH4/N2/air lift-off flame. The reconstruction of the lift-off flame shows that the optimized progress variables perform better than the conventional ones, especially in the high temperature area. The coefficient determinations (R2 statistics) show that the KEDPCA performs slightly better than the PCA except for some minor species. The main advantage of the KEDPCA is that it is less sensitive to the database. Meanwhile, the criteria for the optimization are proposed and discussed. The constraint that the progress variables should monotonically evolve from fresh gas to burnt gas is analyzed in detail.
基金This work was financially supported in part by the National Natural Science Foundation of China(31901906)the Opening Project of Shanghai Key Laboratory of Chemical Biology,the Natural Science Foundation of Anhui Province,China(1808085QC71)+1 种基金the Natural Science Foundation of Anhui Education Department(KJ2016A834)the US Department of Agriculture(USDA:HAW5032-R).
文摘5-Substituted benzylidene 3-acylthiotetronic acids are antifungal.A series of 3-acylthiotetronic acid derivatives with varying substitutions at the 5-position were designed,synthesized,and characterized,based on the binding pose of 3-acyl thiolactone with the protein C171Q KasA.Fungicidal activities of these compounds were screened against Valsa Mali,Curvularia lunata,Fusarium graminearum,and Fusarium oxysporum f.sp.lycopersici.Most target compounds exhibited excellent fungicidal activities against target fungi at the concentration of 50μg·mL-1.Compounds 11c and 11i displayed the highest activity with a broad spectrum.The median effective concentration(EC50)values of 11c and 11i were 1.9–10.7 and 3.1–7.8μg·mL-1,respectively,against the tested fungi,while the EC50 values of the fungicides azoxystrobin,carbendazim,and fluopyram were respectively 0.30,4.22,and>50μg·mL-1 against V.Mali;6.7,41.7,and 0.18μg·mL-1 against C.lunata;22.4,0.42,and 0.43μg·mL-1 against F.graminearum;and 4.3,0.12,and>50μg·mL-1 against F.oxysporum f.sp.lycopersici.The structures and activities of the target compounds against C.lunata were analyzed to obtain a statistically significant comparative molecular field analysis(CoMFA)model with high prediction abilities(q2=0.9816,r2=0.8060),and its reliability was verified.The different substituents on the benzylidene at the 5-position had significant effects on the activity,while the introduction of a halogen atom at the benzene ring of benzylidene was able to improve the activity against the tested fungi.
基金financially supported by the National Natural Science Foundation of China(No.32102584)the Modern Feed Industry Innovation Team Project of Guangdong Province(No.2021KJ115)。
文摘This study aimed to investigate the potential mitigating effects of N-acyl homoserine lactonase(AHLase)on the virulence of Salmonella typhimurium and its induction of intestinal damages in broilers.In vitro study was firstly conducted to examine if AHLase treatment could attenuate the virulence of S.typhimurium.Then,an in vivo experiment was performed by allocating 240 broiler chicks at 1 d old into 3 groups(8 replicates per group):negative control(NC),positive control(PC),and PC supplemented with 10,000 U/kg AHLase.All chicks except those in NC were orally challenged by S.typhimurium from 8to 10 d of age.Parameters were measured on d 11 and 21.The results showed that treatment with 1 U/mL AHLase suppressed the biofilm-forming ability(including biofilm biomass,extracellular DNA secretion and biofilm formation-related gene expression),together with swarming motility and adhesive capacity of S.typhimurium.Supplemental 10,000 U/kg AHLase counteracted S.typhimurium-induced impairments(P<0.05)in broiler growth performance(including final body weight,average daily gain and average daily feed intake)during either 1-11 d or 12-21 d,and increases(P<0.05)in the indexes of liver,spleen and bursa of Fabricius on d 11,together with reductions(P<0.05)in ileal villus height and its ratio to crypt depth on both d 11 and 21.AHLase addition also normalized the increased(P<0.05)m RNA expression of ileal occludin on both d 11 and 21 in S.typhimurium-challenged broilers.However,neither S.typhimurium challenge nor AHLase addition altered(P>0.05)serum diamine oxidase activity of broilers.Noticeably,S.typhimurium challenge caused little change in the mRNA expression of ileal inflammatory cytokines except for an increase(P<0.05)in interleukin-8 expression on d 11,whereas AHLase addition normalized(P<0.05)this change.In conclusion,AHLase treatment could attenuate the virulence and pathogenicity of S.typhimurium,thus contributing to alleviate S.typhimurium-induced growth retardation and intestinal damages in broilers.
基金supported by the Natural Science Foundation of Tianjin(No.18JCYBJC17700)the National Natural Science Foundation of China(Nos.21406164,21466035 and 22066022).
文摘It is still a challenge to eliminate efficiently fluoride ion from groundwater,especially to design and synthesis an adsorbent possessing high adsorption capacity,recyclability and wide pH application conditions.Herein we present millimeter-sized sulfate-type zirconium alginate hydrogel beads with 3D network structure(AHB@Zr-SO^(2−)_(4))that exhibited a maximum adsorption capacity of 101.3 mg/g with wide pH applicability(pH 3−9).This material have~2.5 times higher adsorption capacity than that of pure zirconium alginate hydrogel beads(AHB@Zr)and it was ascribed to ion exchange between SO^(2−)_(4)and F−on the surface of AHB@Zr-SO^(2−)_(4),which was verified via ion chromatography measurement coupled with X-ray photoelectron spectroscopy(XPS)and Fourier Transform Infrared Spectrometer(FTIR Spectrometer)analysis.Density functional theory(DFT)calculations indicated that the ion exchange process between SO^(2−)_(4)and F−in AHB@Zr-SO^(2−)_(4)was energetically favorable than OH^(−)and F^(−)in AHB@Zr.In addition,310 bed volumes(BV)of effluent was realized via column adsorption of groundwater containing fluoride on AHB@Zr-SO^(2−)_(4)and indicated that it is a promising candidate for mitigating the problem of fluoride-containing groundwater.