The Critical Role of Passive Permeability in Designing Successful Drugs

Passive permeability is a key property in drug disposition and delivery. It is critical for gastrointestinal absorption, brain penetration, renal reabsorption, defining clearance mechanisms and drug-drug interactions. Passive diffusion rate is translatable across tissues and animal species, while the extent of absorption is dependent on drug properties, as well as in vivo physiology/pathophysiology. Design principles have been developed to guide medicinal chemistry to enhance absorption, which combine the balance of aqueous solubility, permeability and the sometimes unfavorable compound characteristic demanded by the target. Permeability assays have been implemented that enable rapid development of structure-permeability relationships for absorption improvement. Future advances in assay development to reduce nonspecific binding and improve mass balance will enable more accurately measurement of passive permeability. Design principles that integrate potency, selectivity, passive permeability and other ADMET properties facilitate rapid advancement of successful drug candidates to patients.     

Tribological behavior of graphene reinforced chemically bonded ceramic coatings

To investigate tribological behavior of graphene reinforced chemically bonded ceramic coatings at different temperatures, tribological tests at room temperature, 200 °C and 500 °C were carried out. Results show that the fracture toughness and the hardness of the coating are improved with the introduction of graphene. Besides, the friction coefficient of the coating decreases with the addition of graphene at the room temperature and 200 °C. The coating without graphene achieves the similar friction coefficient at all temperatures. However, the coating with graphene achieves the lowest friction coefficient at 200 °C, and achieves the highest at 500 °C. In addition, the wear rate of the coating decreases with the increase of graphene. Besides, the wear rate at 200 °C is almost similar with that at room temperature. In contrast, the wear rate at 500 °C is much larger than those at room temperature and 200 °C. The mechanisms for graphene to decrease the friction coefficient and improve the wear resistance of chemically bonded ceramic coatings at evaluated temperatures are clarified.     

Study on the hydrogen storage properties of a TiZrNbTa high entropy alloy

High-entropy alloys (HEAs), as a new class of metallic materials, have received more and more attention due to its excellent mechanical properties. In this study, the hydrogen absorption properties, such as hydrogen absorption capacity, thermodynamics, kinetics and cyclic properties, as well as the hydride structure of a newly designed TiZrNbTa HEA were investigated. The results showed that multiple hydrides including ε-ZrH₂, ε-TiH₂ and β-(Nb,Ta)H were found in the TiZrNbTa HEA after hydrogenation. With the increase of temperature from 293 K to 493 K, the maximum hydrogen absorption capacity decreased from 1.67 wt% to 1.25 wt% and the plateau pressure related with β-(Nb,Ta)H hydrides increased from 1.6 kPa to 14.8 kPa. The formation enthalpy of β-(Nb,Ta)H hydride was determined to be −6.4 kJ/mol, which was less stable than that of NbH and TaH hydrides. The results also showed that the TiZrNbTa HEA exhibited a rapid hydrogen absorption kinetic even at the room temperature with a short incubation time, and the hydrogen absorption mechanism was determined to be the nucleation and growth mechanism. Moreover, the hydrogen absorption capacity at 293 K decreased slowly with the cycle numbers, and remained 86% capacity after 10 cycles. Cracking occurred after hydrogen absorption and became worse with cycles.     

Tuning effect of silicon substitution on magnetic and high frequency electromagnetic properties of R2Fe17 and their composites

In this work, we report the tuning effect of the Si substitution on the magnetic and high frequency electromagnetic properties of R₂Fe₁₇ compounds and their paraffin composites. It is found that the introduction of Si can remarkably improve the magnetic and electromagnetic properties of the R₂Fe₁₇ compounds, making the R₂Fe_17–xSi_x-paraffin composites excellent microwave absorption materials (MAMs). By introducing the Si element, their saturation magnetizations decrease slightly, while much higher Curie temperatures are obtained. Furthermore, better impedance match is reached due to the decrease of the high-frequency permittivity ε′ by about 40%–50%, which finally enhances the performance of the microwave absorption. The peak frequency (f_RL) of the reflection loss (RL) curve moves toward high frequency domain and the qualified bandwidth (QB, RL ≤ ?10 dB) increases remarkably. The maximum QB of 3.3 GHz (12.0–15.3 GHz) is obtained for the Sm_1.5Y_0.5Fe₁₅Si₂-paraffin composite (d = 1.0 mm) and the maximum RL of ?53.6 dB is achieved for Nd₂Fe₁₅Si₂-paraffin composite (d = 2.2 mm), both surpassing most of the reported MAMs. Additionally, a distinguished dielectric microwave absorption peak is observed, which further increases the QB in these composites.     

自动捕捉平衡系数试验电流工具设计

在电梯平衡系数传统测量方法中,存在电梯轿厢和对重平衡点难以判断、人为因素导致测量误差偏大、测量不准导致效率低等问题,为解决这些问题,设计出一款基于光电传感器和霍尔传感器的电流自动捕捉工具,除能够高效准确识别电梯轿厢和对重平衡点的位置外,还能通过无线信号传输处理,利用钳形电流表精确捕捉平衡点位置的电流值。经测试使用,该工具系统消除了在平衡系数测量过程中捕捉电流值的人为因素影响,并解决了无机房不能准确判断平衡点问题,有效的提高了检验工作的准确性和效率。     

水文序列相依变异识别的RIC定阶准则——以自回归模型为例

水文过程相依性是水文变异的主要表现形式之一,应用自回归模型对其进行拟合时合理确定模型阶数是一个难点问题。本文在分析AIC和BIC准则的基础上,提出了一种以原序列与其相依成分的相关系数作为拟合度指标,同时借用信息熵形式的函数式,作为模型不确定性度量指标的自回归模型定阶准则(简称RIC准则)。以AR(1)、AR(2)、AR(3)和AR(4)模型为例进行统计试验,将不同序列长度下该准则的定阶准确率与其他定阶准则进行比较,试验结果表明,RIC准则对于上述模型均具有较好的适应性,且定阶准确率远高于AIC准则,其中对于前三阶模型RIC准则优于BIC准则,但四阶模型略低于BIC准则。RIC准则的优势是可以同时满足模型定阶、相依程度分级与模型检验的需求,将其应用于实测水文序列分析,结果显示,该准则能较准确地识别自回归模型的阶数,且符合提出的"相依有变异而残差无变异的最小阶数"的检验标准。     

石墨烯热电器件栅控特性研究

为了获得一种稳定可控的能源，提出一种栅控石墨烯热电器件。通过对石墨烯通道的载流子输运机理的分析，获得了温度和栅压对通道电阻的影响。依据半经典Mott公式推导了石墨烯塞贝克系数的表达式，同时给出了石墨烯的电导率和热导率模型。最后通过有限元分析(FEA)建模获得不同栅压条件下的器件温度，当栅极电压V_B=0 V时，石墨烯热电器件热端和冷端温度差为30 K；当V_B=6 V时，最大温差达到50 K；当V_B=30 V时，最小温差只有10 K。结果表明，栅压对热电器件的性能有明显的调控性。该研究可为石墨烯热电器件的设计提供理论参考。     

An experimental study of forced convective heat transfer for fully developed Al 2 O 3 –water nanofluid in an annulus tube

Nanofluids have been known as practical materials to ameliorate heat transfer within diverse industrial systems. The current work presents an empirical study on forced convection effects of Al₂O₃–water nanofluid within an annulus tube. A laminar flow regime has been considered to perform the experiment in high Reynolds number range using several concentrations of nanofluid. Also, the boundary conditions include a constant uniform heat flux applied on the outer shell and an adiabatic condition to the inner tube. Nanofluid particle is visualized with transmission electron microscopy to figure out the nanofluid particles. Additionally, the pressure drop is obtained by measuring the inlet and outlet pressure with respect to the ambient condition. The experimental results showed that adding nanoparticles to the base fluid will increase the heat transfer coefficient (HTC) and average Nusselt number. In addition, by increasing viscosity effects at maximum Reynolds number of 1140 and increasing nanofluid concentration from 1% to 4% (maximum performance at 4%), HTC increases by 18%.     

Enhanced transduction coefficient in piezoelectric PZT ceramics by mixing powders calcined at different temperatures

Large transduction coefficient ($d_{33}\times g_{33}$) is difficult to obtain in piezoelectric ceramics because these two parameters show opposite trends with compositional modifications. Herein, the Pb(Zr_0.53Ti_0.47)O₃ ceramic powders were calcinated under different temperatures (A:830 °C, B:860 °C, and C:890 °C), and then mixed together according to different weight ratios (1A:1B:1C, 1A:2B:1C, 1A:2B:3C and 3A:2B:1C) for ceramics preparation. Both d₃₃ and g₃₃ are improved successfully, and the transduction coefficient with the weight ratio of 1A:2B:3C reaches up to 17,500 × 10⁻¹⁵ m²/N, which is 60 % higher than that with the powders calcinated under 830 °C, and at least twice those of commercial PZT-4, PZT-5A and PZT-8 ceramics. The improved transduction coefficient is owing to the enhanced piezoelectric constant and spontaneous polarization resulted from the increased grain size, relative density and the fraction of tetragonal phase. These results indicate that this is a simple but effective way to tailor the transduction coefficient in piezoelectric ceramics.     

生物可降解PCL/PLA开孔发泡材料制备及吸油性能

以聚己内酯（PCL）为基体，添加不同含量聚乳酸（PLA）熔融共混制备具有不同分散相形态的PCL/PLA共混物，利用超临界二氧化碳（scCO₂）微孔发泡工艺制备不同发泡倍率和开孔率的PCL/PLA多孔材料用于吸油应用。针对边长3 mm正方体样品溶解度实验发现100 min后CO₂在PCL中已达到饱和吸附状态。PLA分散相含量的增加显著增大了PCL/PLA共混物泡孔密度，并使共混泡孔尺寸减小且分布更加均匀；发泡温度升高6℃，泡孔尺寸增大50%，发泡倍率增大38%，开孔率减小了20%。PCL/PLA开孔材料具有明显的亲油疏水性，发泡倍率越高，疏水性越好；针对花生油和硅油的吸油实验发现材料吸油率与发泡倍率和开孔率整体呈正比，实际吸油量高于理论计算值，10次循环吸油测试后样品吸油率仅降低8.5%，材料吸油量与油品特性黏度关系不大。