Optimal design of gears contact interface modification for an objective as minimum impact resistance of initial meshing-in time domain

Meccanica - In gear pair actual alternating meshing process, the comprehensive errors of the transmission system and the thermal elastic deformation of the teeth body cause the gears in the meshing...     

射频等离子制备石墨烯负载Co3O4催化剂及其析氧性能研究

氢能的引入能有效提升配电网的供电可靠性,而电解水制氢是实现低碳转型的关键技术,开发高效的电解水催化剂势在必行。过渡金属氧化物储量大、催化活性高,是具有广阔应用前景的析氧反应催化剂。本文通过射频等离子体处理制备石墨烯上负载Co₃O₄析氧催化剂,XRD、Raman和XPS测试结果显示,二维结构石墨烯的引入加速表面电子迁移,增大了反应面积。等离子体处理促进了纳米粒子在石墨烯上的负载,利用等离子体刻蚀作用在催化剂表面制造出大量碳结构缺陷和氧空位结构,改善了活性位点分布,有效调控Co₃O₄电子结构,提高析氧催化活性。电化学测试表明,本文中合成的Co₃O₄@rGO在电流密度为50 mA·cm^-2时的过电位为410 mV,动力学反应速率较快,表现出优于商业IrO₂的析氧催化活性。     

Benchmarking of Density Functionals for the Description of Optical Properties of Newly Synthesized π-Conjugated TADF Blue Emitters

Computational modeling of the optical characteristics of organic molecules with potential for thermally activated delayed fluorescence (TADF) may assist markedly the development of more efficient emitting materials for organic light-emitting diodes. Recent theoretical studies in this area employ mostly methods from density functional theory (DFT). In order to obtain accurate predictions within this approach, the choice of a proper functional is crucial. In the current study, we focus on testing the performance of a set of DFT functionals for estimation of the excitation and emission energy and the excited singlet-triplet energy gap of three newly synthesized compounds with capacity for TADF. The emitters are designed specifically to enable charge transfer by π-electron conjugation, at the same time possessing high-energy excited triplet states. The functionals chosen for testing are from various groups ranging from gradient-corrected through global hybrids to range-separated ones. The results show that the monitored optical properties are especially sensitive to how the long-range part of the exchange energy is treated within the functional. The accurate functional should also be able to provide well balanced distribution of the π-electrons among the molecular fragments. Global hybrids with moderate (less than 0.4) share of exact exchange (B3LYP, PBE0) and the meta-GGA HSE06 are outlined as the best performing methods for the systems under study. They can predict all important optical parameters correctly, both qualitatively and quantitatively.     

阳离子交换皂石黏土在基质辅助激光解吸电离飞行时间质谱分析中的应用

将一种人工合成的无机聚合物——蒙脱石皂石黏土（smectite，Sm）应用于基质辅助激光解吸电离飞行时间质谱分析（matrix-assisted laser desorption/ionization time of flight mass spectrometry, MALDI-TOF-MS），以检测糖类化合物。 将传统的有机基质2，4，6-三羟基苯乙酮（trihydroxyacetophenone, THAP）与阳离子交换后的皂石黏土混合制备成新型复合基质，应用于糖类化合物的检测。通过比较不同的制样方法，测定不同分子直径的糖类化合物，发现由于受复合基质晶面间距的限制，只有小分子糖类化合物能进入晶面间隙充分接触有机基质并被离子化，从而实现对小分子糖类化合物的选择性检测。     

Maltol as a Novel Agent Protecting SH-SY5Y Cells Against Hemin-induced Ferroptosis

Ferroptosis triggered by hemin is regarded as a primary factor accounting for neuronal death secondary to intracerebral hemorrhage. Thus, compounds with inhibitory effect on hemin-induced ferroptosis might be potential medicines to prevent neuronal death caused by intracerebral hemorrhage. Herein, we investigate whether maltol could alleviate hemin-induced SH-SY5Y cell ferroptosis and its potential mechanisms. It is found that maltol effectively prevents hemin-induced SH-SY5Y cell ferroptosis via three pathways. The first one is inhibiting intracellular iron increase via preventing upregulation of transferrin receptor, the second one is alleviating lipid peroxidation via attenuating H₂O₂ generation by NOX4 and promoting H₂O₂ clearance by catalase, and the third one is to reduce peroxidized lipids via maintaining GPX4/GSH pathway. Therefore, maltol is a novel agent preventing hemin-induced SH-SY5Y cell ferroptosis.     

机械力固相法制备纳米α-FeOOH及其光催化性能研究

采用机械力固相法以FeCl3和Fe(NO3)3分别作为铁源.在铁源与碱1∶5摩尔比的条件下,先球磨3h,再经过60℃水浴陈化得到纳米针铁矿(α-FeOOH).用X-射线衍射仪(XRD)、场发射扫描电子显微镜(FE-SEM)、比表面和孔隙度分析仪(BET)、紫外-可见分光光度计以及电化学工作站对其物相、微观形貌、比表面、光催化和光电化学性能进行表征.结果 表明:不同铁源的阴离子会诱导合成形貌和性能差异的纳米针铁矿,以FeCl3为原料合成的纳米α-FeOOH粒径较小、比表面积及孔容较大、对有机染料罗丹明B的降解率较以Fe(NO3)3为原料的α-FeOOH提高了48.7;.     

以天然椰壳为碳源制备硼碳氮微米线

首次以天然椰壳为碳源,高温下在流动氨气中用氯化铁(FeCl3)对无定型硼粉和椰壳进行退火,大规模合成了硼碳氮(BCN)微纳米结构,即由纳米片包覆竹节状纳米管组装而成的微米线.利用扫描电子显微镜(SEM)、透射电子显微镜(TEM)、傅里叶红外光(FTIR)、X射线光电子能谱仪(XPS)以及荧光光谱仪(PL)等手段对所得微米线进行了表征.结果显示,微米线的直径约为200～600 nm,纳米片的平均厚度小于20 nm.纳米片大多是以弯曲和皱折的形态分离的.微米线由B、C、N元素组成,计算出B、C、N的原子比为11.4:1:9.2.提出了汽液固(VLS)和汽固(VS)相结合的生长机理并对B11.4 CN9.2微米线的形成进行了研究.初步讨论了反应温度对微米线的影响.     

A longitudinal air–water trans-media dynamic model for slender vehicles under low-speed condition

Nonlinear Dynamics - A trans-media aerial underwater vehicle (TMAUV) could break through the single-medium limitation with the abilities to fly in the air, navigate underwater, and cross the...     

环境规制强度影响能源效率的门槛效应研究——基于PSTR模型

利用非径向-SBM和CCR模型测算了我国30个省市(暂不包括西藏和港澳台地区)2007-2016年间的环境规制强度以及能源效率,构建面板平滑转移回归模型(PSTR),分析了环境规制强度对我国能源效率的连续非线性变化的影响.研究结果显示,全国环境规制强度对我国能源效率存在非线性效应,二者之间呈倒“U”型关系.环境规制强度小于门槛值0.6376时,环境规制对能源效率产生创新补偿效应,当环境规制强度高于门槛值0.6376时,环境规制对能源效率产生遵循成本效应.而我国东西部地区的环境规制强度与地区能源效率间却存在着与之相反的“U”型效应.