铅离子-苯甲羟肟酸配合物捕收剂(Pb-BHA)的单晶结构分析

铅离子-苯甲羟肟酸配合物捕收剂(Pb-BHA)在钨矿、锡石和钛铁矿等氧化矿浮选中展现出良好的浮选性能和应用前景,但其精确分子结构尚不清楚,阻碍了配合物浮选作用机理的深入认识和金属基捕收剂分子设计的开展。本文培养了铅离子与BHA摩尔比分别为1∶1和2∶1的两种Pb-BHA配合物单晶(配合物1和配合物2),并采用X射线结构分析方法对其结构进行解析,包括配合物晶体结构、分子结构、空间堆积结构、分子间相互作用等。结果表明:配合物1的分子式为Pb_(6)L_(8)(NO_(3))_(4)(HL=BHA),配合物2的分子式为[Pb_(6)L_(8)(NO_(3))_(3)]NO_(3),铅离子与配体氧原子配位形成非平面“O,O”五元环螯合物构型,铅离子配位数为五配位、六配位和七配位。配合物分子通过Pb—O键与临近配合物相键接形成具有单体重复结构的三维扩展堆积聚合物。配合物中弱相互作用以O…H、H…H、Pb…O为主,π-π相互作用在分子间相互作用中占据主导,其次是N—H…O氢键作用。Pb-BHA配合物单晶结构的综合分析为研究配合物的液相结构及矿物表面吸附结构、浮选行为调控方法、浮选作用机理以及新型金属基捕收剂分子设计等提供了重要研究基础。

新疆库车坳陷西段古近纪高溴岩盐与钾石盐成因联系

新疆库车坳陷西段岩盐层中显示的南部高钾低溴,而北部高溴低钾的特征与卤水的正常演化过程相矛盾的问题尚不清楚。通过探讨库车坳陷西段古近纪高溴岩盐与钾石盐的成因联系,指导钾盐资源预测。通过地层对比、海侵过程分析及锶硫同位素特征研究,认为克深208井高溴岩盐层形成早于羊塔4井钾石盐层。对原生岩盐岩屑中石盐包裹体形态及均一温度、主量和微量元素、锶硫同位素、构造背景分析认为,羊塔4井钾石盐层形成于独立封闭演化的次级凹陷;克深208井高溴岩盐层形成阶段的卤水更接近海相端元,并在次级凹陷中经历长期演化;克深208井成盐晚期接受了大量陆源水混入,该阶段形成的岩盐层为库车坳陷西段海退时期的产物。总体来看,海水在古近纪自西向东进入库车坳陷后,先到达克深区所在的北部,后进入南部区域,而羊塔区处于海侵的末端,为卤水更浅、长期封闭的终端次级凹陷,成为最有利的成钾区域;海退阶段,残留卤水汇聚在海退通道内,此时通道内的局部凹陷处(如克深区晚期成盐阶段)是重要的成钾有利区。库车坳陷西段古近纪成钾总体遵循“海侵末端封闭成钾,海退通道凹陷成钾”模式,为库车坳陷寻找钾盐资源提供了重要的思路。

定制电解液或隔膜实现锂离子各向异性输运从而抑制枝晶生长:相场模拟研究

电池内部不可控的枝晶生长问题严重地影响着电池的循环性能和安全性能,这对于锂金属电池的实际应用是一个严峻的挑战。尽管已有较多的实验和理论研究工作聚焦于电极间锂离子各向异性输运特性对枝晶形貌的影响,但仍有一些开放性的问题有待进一步研究,例如,如何将枝晶生长的动态演变与电解液性质、电势分布或隔膜多孔结构诱导的锂离子各向异性输运关联起来。我们通过将锂离子在电解液中的扩散系数(D_(L))表示为二阶张量的形式并进行相场模拟,发现D_(yy):D_(xx)比值的增加,以及电势诱导的电极/电解液界面锂离子快速扩散层均可以降低界面处锂离子浓度梯度和电势梯度,从而减弱枝晶生长的驱动力。我们还发现隔膜基体与y方向之间夹角的增大也会显著促进电解质中的锂离子各向异性输运特性,以利于抑制枝晶生长。籍此本文提出设计D_(yy):D_(xx)=10:1的电解液和基体倾斜角为arctan(0.5)的隔膜用于锂金属电池。该相场研究有望为设计具有抑制枝晶能力的电解质或隔膜提供指导。

TC4钛合金扩散连接接头的振动疲劳特性及劣化机理

为了研究扩散连接工艺对材料振动疲劳特性的影响,对扩散连接后的TC4钛合金和原始母材进行一系列振动疲劳试验以及显微组织表征。结果表明:扩散连接的热循环过程引起TC4钛合金显微组织变化,并导致其振动疲劳性能降低。经扩散连接后,TC4钛合金晶粒尺寸的不均匀性增加,加重了材料不同取向α晶粒间的不协调变形,从而使微孔洞易于在晶粒尺寸差异较大的两α晶粒的晶界上萌生,或者在较大α晶粒的内部萌生。同时,扩散连接后材料α晶粒取向的变化使得柱面滑移系更易被启动,促进了裂纹更早地萌生。此外,扩散连接后TC4钛合金β相含量的增加为微孔洞提供了更多的形核位置。因此,由扩散连接热循环过程造成的晶粒尺寸不均匀性增加、晶粒取向变化和β相含量增加使扩散连接TC4钛合金的振动疲劳性能劣化。

新型丙烯酸类GPR40激动剂的结构优化及其生物活性研究

目的 以HMT-1为先导化合物,构建新型丙烯酸类抗2型糖尿病药物,并进行构效关系分析。方法 采用基团替换及同系物原则对HMT-1进行结构衍生化设计合成。采用分子对接考察衍生物与GPR40的结合作用模式。通过GPR40激动活性实验评估目标化合物的生物活性。结果 共设计合成了6个丙烯酸类新型GPR40激动剂,体外活性实验发现均具有一定的GPR40激动活性,其中HMT-5和HMT-14的激动活性与HMT-1及阳性药物TAK-875接近。其EC_(50)分别为1.68 μmol·L^(-1)和4.9 μmol·L^(-1)。结论 构效关系分析发现,尾部苯环为对位取代,并在尾部增加氢键供体及连接链为芳香酰胺时可提高活性,可为开发更高效的抗2型糖尿病药物奠定基础。

Diet and monensin influence the temporal dynamics of the rumen microbiome in stocker and finishing cattle

Background Stocker cattle diet and management influence beef cattle performance during the finishing stage,but knowledge of the dynamics of the rumen microbiome associated with the host are lacking.A longitudinal study was conducted to determine how the feeding strategy from the stocker to the finishing stages of production affects the temporal dynamics of rumen microbiota.During the stocker phase,either dry hay or wheat pasture were provided,and three levels of monensin were administrated.All calves were then transported to a feedlot and received similar finishing diets with or without monensin.Rumen microbial samples were collected on d 0,28,85 during the stocker stage(S0,S28 and S85)and d 0,14,28,56,30 d before slaughter and the end of the trial during the finishing stage(F0,F14,F28,F56,Pre-Ba,and Final).The V4 region of the bacterial 16S rRNA gene of 263 rumen samples was sequenced.Results Higher alpha diversity,including the number of observed bacterial features and the Shannon index,was observed in the stocker phase compared to the finishing phase.The bacterial amplicon sequence variants(ASVs)differentiating different sampling time points were identified.Dietary treatments during the stocker stage temporally impact the dynamics of rumen microbiota.For example,shared bacteria,including Bacteroidales(ASV19)and Streptococcus infantarius(ASV94),were significantly higher in hay rumen on S28,S85,and F0,while Bacteroidaceae(ASV11)and Limivicinus(ASV15)were more abundant in wheat.Monensin affected rumen microbial composition at a specific time.Transportation to feedlot significantly influenced microbiome structure and diversity in hay-fed calves.Bacterial taxa associated with body weight were classified,and core microbiotas interacted with each other during the trial.Conclusions In summary,the temporal dynamics of the rumen microbiome in cattle at the stocker and finishing stage are influenced by multiple factors of the feeding strategy.Diet at the stocker phase may temporarily affect the microbial composition during this stage.Modulating the rumen microbiome in the steers at the stocker stage affects the microbial interactions and performance in the finishing stage.

Alleviation of the plastic deformation of gel ink under strong stress through an esterification of xanthan gum reinforcing its double helix structure

As a natural organic polymer,xanthan gum(XG)can alleviate the plastic deformation of gel ink under strong stress and realize the reasonable regulation of the rheological properties of gel ink.However,as the double-helix structure connected by hydrogen bonds cannot resist the mechanical environment of strong stress,XG shows poor shear resistance.In this study,a polymer gel with interpenetrating polymer network structure was prepared by esterifying XG,taking polystyrene maleic anhydride(SMA)as the modifier.In addition to retaining the excellent rheological properties of XG,the generated polymer gel also exhibited high shear resistance.The optimal addition amount of the esterification reaction modifier was determined as mXG:mSMA=5:3 according to the gel ink standard.With this amount,the viscosity of the modified xanthan gum(SXG)gel increased to 1578.8 mPa·s and 100.7 mPa·s at shear rates of 4 s1 and 383 s1,respectively,and the shear resistance increased more than 2 times compared to the unmodified one.It is because of the ester bond formed by esterification that the reaction strengthens the interaction between molecular segments,enabling the new gel to resist to strong mechanical stress.The new polymer gel studied in this paper and the proposed mechanism of action provide new insights for the development of high-end gel ink and also provide theoretical support for the study of rheological properties of non-Newtonian fluids.

Janus Quasi‑Solid Electrolyte Membranes with Asymmetric Porous Structure for High‑Performance Lithium‑Metal Batteries

Quasi-solid electrolytes(QSEs)based on nanoporous materials are promising candidates to construct high-performance Limetal batteries(LMBs).However,simultaneously boosting the ionic conductivity(σ)and lithium-ion transference number(t^(+)) of liquid electrolyte confined in porous matrix remains challenging.Herein,we report a novel Janus MOFLi/MSLi QSEs with asymmetric porous structure to inherit the benefits of both mesoporous and microporous hosts.This Janus QSE composed of mesoporous silica and microporous MOF exhibits a neat Li^(+) conductivity of 1.5.10^(–4)S cm^(−1) with t^(+) of 0.71.A partially de-solvated structure and preference distribution of Li^(+)near the Lewis base O atoms were depicted by MD simulations.Meanwhile,the nanoporous structure enabled efficient ion flux regulation,promoting the homogenous deposition of Li^(+).When incorporated in Li||Cu cells,the MOFLi/MSLi QSEs demonstrated a high Coulombic efficiency of 98.1%,surpassing that of liquid electrolytes(96.3%).Additionally,NCM 622||Li batteries equipped with MOFLi/MSLi QSEs exhibited promising rate performance and could operate stably for over 200 cycles at 1 C.These results highlight the potential of Janus MOFLi/MSLi QSEs as promising candidates for next-generation LMBs.

High‑Entropy Layered Oxide Cathode Enabling High‑Rate for Solid‑State Sodium‑Ion Batteries

Na-ion O3-type layered oxides are prospective cathodes for Na-ion batteries due to high energy density and low-cost.Nevertheless,such cathodes usually suffer from phase transitions,sluggish kinetics and air instability,making it difficult to achieve high performance solid-state sodium-ion batteries.Herein,the high-entropy design and Li doping strategy alleviate lattice stress and enhance ionic conductivity,achieving high-rate performance,air stability and electrochemically thermal stability for Na_(0.95)Li_(0.06)Ni_(0.25)Cu_(0.05)Fe_(0.15)Mn_(0.49)O_(2).This cathode delivers a high reversible capacity(141 mAh g^(−1)at 0.2C),excellent rate capability(111 mAh g^(−1)at 8C,85 mAh g^(−1)even at 20C),and long-term stability(over 85%capacity retention after 1000 cycles),which is attributed to a rapid and reversible O3–P3 phase transition in regions of low voltage and suppresses phase transition.Moreover,the compound remains unchanged over seven days and keeps thermal stability until 279℃.Remarkably,the polymer solid-state sodium battery assembled by this cathode provides a capacity of 92 mAh g^(−1)at 5C and keeps retention of 96%after 400 cycles.This strategy inspires more rational designs and could be applied to a series of O3 cathodes to improve the performance of solid-state Na-ion batteries.

Identification of earthquake induced structural damage based on synchroextracting transform

Several popular time-frequency techniques,including the Wigner-Ville distribution,smoothed pseudo-Wigner-Ville distribution,wavelet transform,synchrosqueezing transform,Hilbert-Huang transform,and Gabor-Wigner transform,are investigated to determine how well they can identify damage to structures.In this work,a synchroextracting transform(SET)based on the short-time Fourier transform is proposed for estimating post-earthquake structural damage.The performance of SET for artificially generated signals and actual earthquake signals is examined with existing methods.Amongst other tested techniques,SET improves frequency resolution to a great extent by lowering the influence of smearing along the time-frequency plane.Hence,interpretation and readability with the proposed method are improved,and small changes in the time-varying frequency characteristics of the damaged buildings are easily detected through the SET method.

An Efficient Local Radial Basis Function Method for Image Segmentation Based on the Chan-Vese Model

In this paper,we consider the Chan–Vese(C-V)model for image segmentation and obtain its numerical solution accurately and efficiently.For this purpose,we present a local radial basis function method based on a Gaussian kernel(GA-LRBF)for spatial discretization.Compared to the standard radial basis functionmethod,this approach consumes less CPU time and maintains good stability because it uses only a small subset of points in the whole computational domain.Additionally,since the Gaussian function has the property of dimensional separation,the GA-LRBF method is suitable for dealing with isotropic images.Finally,a numerical scheme that couples GA-LRBF with the fourth-order Runge–Kutta method is applied to the C-V model,and a comparison of some numerical results demonstrates that this scheme achieves much more reliable image segmentation.

Comparative study on phase transition behaviors of fractional molecular field theory and random-site Ising model

Fractional molecular field theory(FMFT)is a phenomenological theory that describes phase transitions in crystals with randomly distributed components,such as the relaxor-ferroelectrics and spin glasses.In order to verify the feasibility of this theory,this paper fits it to the Monte Carlo simulations of specific heat and susceptibility versus temperature of two-dimensional(2D)random-site Ising model(2D-RSIM).The results indicate that the FMFT deviates from the 2D-RSIM significantly.The main reason for the deviation is that the 2D-RSIM is a typical system of component random distribution,where the real order parameter is spatially heterogeneous and has no symmetry of space translation,but the basic assumption of FMFT means that the parameter is spatially uniform and has symmetry of space translation.

Anomalous{1012}tensile twinning and subsequent detwinning in a friction stir processed carbon fiber-reinforced Mg composite

1.Main text Owing to their low density and high specific strength,magnesium alloys and magnesium-based composites have great potential as structure metal materials in applications where lightweight matters[1–4].Deformation twins[5],especially the{1012}tension twins(also called tensile or extension twins)with a low critical resolved shear stress(CRSS)[6],are commonly observed in Mg alloys.They can provide the much-needed deformation along the c-axis in their hcp structure resulting from the very few easily activated slip systems in this crystal structure[7].The tensile twinning activation usually follows the macroscopic Schmid factor law[2],i.e.,the twin variant with the highest Schmid factor occurs,and it only appears when its Schmid factor is positive.

Research on Demand Response Potential of Adjustable Loads in Demand Response Scenarios

To address the issues of limited demand response data,low generalization of demand response potential evaluation,and poor demand response effect,the article proposes a demand response potential feature extraction and prediction model based on data mining and a demand response potential assessment model for adjustable loads in demand response scenarios based on subjective and objective weight analysis.Firstly,based on the demand response process and demand response behavior,obtain demand response characteristics that characterize the process and behavior.Secondly,establish a feature extraction and prediction model based on data mining,including similar day clustering,time series decomposition,redundancy processing,and data prediction.The predicted values of each demand response feature on the response day are obtained.Thirdly,the predicted data of various characteristics on the response day are used as demand response potential evaluation indicators to represent different demand response scenarios and adjustable loads,and a demand response potential evaluation model based on subjective and objective weight allocation is established to calculate the demand response potential of different adjustable loads in different demand response scenarios.Finally,the effectiveness of the method proposed in the article is verified through examples,providing a reference for load aggregators to formulate demand response schemes.

董事会非正式层级、数字化转型与企业ESG表现——环境不确定性的调节效应

企业ESG表现是我国积极实现“双碳”目标的重要抓手,也是推动我国企业可持续发展的关键要素。本文以2012—2022年A股上市公司作为研究样本,实证检验了董事会非正式层级与企业ESG表现之间的作用关系。结果表明,董事会非正式层级清晰度越高,企业ESG表现就越好,数字化转型在其中发挥部分中介效应,环境不确定性负向调节二者之间的关系。异质性分析发现,相比董事会规模小、独董比例低、非国有企业和中小型企业,在董事会规模大、独董比例高、国有企业和大型企业中董事会非正式层级清晰度的增加更能够提高企业ESG表现。研究结论不仅丰富和拓展了董事会非正式层级相关研究,而且为企业提升治理水平、加强数字化转型,助力不同类型企业实现可持续发展目标提供实践启示。

加油站采用阿米巴经营模式的效果及实证分析

为提升加油站效益,中国石油集团在加油站开展阿米巴经营模式试点工作。本文通过问卷调查和微观计量方法,对阿米巴经营模式对中国石油集团试点站绩效的影响进行实证检验。结果显示,阿米巴经营模式显著提高了试点加油站的经营效率,增加了加油站利润,提高了汽柴油销量和非油业务毛利率,取得了非常显著的效果。

Research on the Weight of Index for the Assessment Standard for Green Store Building

Assessment standard for green store building of national standard has been compiled. The index has been given by experts' subjective assignment based on experience. Analytic hierarchy process has been used,making questionnaires of experts,using pairwise comparison and calculating the weight of each index. The weight of index in assessment would not only make quantitative evaluation on the whole situation of green store buildings,but also provide the foundation for compilation and revision.

负压对氧化锆陶瓷与金属托槽间粘接强度的影响

目的研究负压对氧化锆与金属托槽间粘接强度的影响。方法将48个试件随机分为6组(n=8),A组用Transbond^(TM)XT进行粘接,B组喷砂处理后用Transbond^(TM)XT进行粘接,C组喷砂后的试件涂布Transbond^(TM)XT负压处理后进行粘接,D组使用Clearfil SAC进行粘接,E组试件喷砂处理后使用Clearfil SAC进行托槽粘接,F组喷砂处理的试件涂布Clearfil SAC给予负压处理后进行粘接。使用扫描电子显微镜观察试件表面形貌。测试各组的剪切粘接强度,体式显微镜观察粘结剂残留指数。结果喷砂后的试件表面粘接面粗糙,经负压处理后的表面粘接剂分布更加均匀。剪切强度(SBS)结果显示F组和C组的粘接强度明显高于其他组,且有统计学意义(P<0.05),粘接剂残留指数结果显示F组粘结残留指数最高,但两组间差异无统计学意义(P>0.05)。结论负压技术与喷砂及Clearfil SAC联合应用可以显著提高氧化锆陶瓷与金属托槽间粘接强度。

盐泥干燥室导流板的流场分析及结构改进

针对侧进风厢式盐泥干燥室内盐泥层上方热气流速度分布不均匀、盐泥干燥效率低的问题,应用导流板对干燥室内流场进行改善。采用standard k-ε模型和多孔介质模型对干燥室内的流场进行数值模拟,通过实验测量改进前后盐泥的含水率。结果表明:安装导流板后可以提高盐泥上方层热气流的流动速度,且速度分布更均匀;对比于原干燥室,盐泥平均含水率降低了4.48%,不均匀系数降低了6.09%。

粗粒辉钼矿工艺矿物学及流态化浮选抛废研究

粗粒预选抛废是实现选厂节能降耗的重要技术手段,借助流态化浮选技术对河南某选厂低品位辉钼矿(粒级-1 mm,Mo品位0.076%)进行选前抛废探索。通过工艺矿物学对辉钼矿嵌布和解离特征进行了全面分析,研究了操作因素对流态化浮选的影响规律,并在不同捕收剂用量下比较了其与机械式浮选的抛废效果差异。工艺矿物学结果表明,试验所用矿石中主要有价矿物辉钼矿为中粒-细粒不均匀嵌布,粗粒级矿石中辉钼矿解离度较低。流态化浮选结果表明,操作因素对于尾矿品位和抛尾率均可能产生影响,最优条件下流态化浮选尾矿品位为0.011%~0.015%,抛尾率为40%~55%,抛废效果远优于机械式浮选,其原因是流态化浮选构建了低紊流环境,提升了浮选粒度上限。