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.     

Synthesis and Application of Novel Nano Fe-BTC/GO Composites as Highly Efficient Photocatalysts in the Dye Degradation

Topics in Catalysis - Nano Fe-BTC/graphene oxide (GO) composites were successfully synthesized by hydrothermal treatment with a microwave-assisted method. Samples were characterized by X-ray...     

基于个体协同触发强化学习的多机器人行为决策方法* .txt

摘要：为了提高多机器人行为最优决策控制中强化学习的效率和收敛速度，研究了多机器人的分布式马尔科夫建模与控制策略。根据机器人有限感知能力设计了个体 协同感知触发函数，机器人个体从环境观测结果计算个体 协同触发响应概率，定义一次触发过程后开始计算联合策略，减少机器人间通讯量和计算资源。引入双学习率改进Q学习算法，并将该算法应用于机器人行为决策。仿真实验结果表明，当机器人群组数量在20左右时，本文算法的协同效率较高，单位时步比为1085 0。同时距离调节参数η对机器人协同搜索效率有影响，当η=0008时，所需的移动时步比和平均移动距离都能达到最小值。通过双学习率的引入，该算法较基于环境模型的强化学习算法具有更高的学习效率和适用性，平均性能提升35%，对于提高多机器人自主协同能力具有较高的理论意义及应用价值。 .txt     

A Two-Dimensional Numerical Analysis for Thermal Performance of an Intermittently Operated Radiant Floor Heating System in a Transient External Climatic Condition

Abstract

Building thermal inertia and operation control strategies have impacted on the thermal performance of a radiant floor heating system. This study conducts a two-dimensional numerical analysis of an intermittently operated radiant floor heating system using the Re-Normalization Group model with Discrete Ordinates Radiation model. A detailed numerical simulation setups and various analyses are provided, including grid independency analysis, initial condition, time step sizes and external boundary conditions. Three different weekend day intermittent operation strategies are investigated. The results showed that Case 3 designed with pre-heating of 20?h has better performance compared to Case 1 designed with pre-heating of 8?h and Case 2 designed with pre-heating of 14?h. The average indoor air temperature differences of approximate 2.1, 1.6 and 1.2 K are observed for Case 1, Case 2 and Case 3, respectively, when comparing two-time slot at 8:00am on Friday morning and Monday morning. This significantly highlights the effect of thermal inertia and the potential of energy saving due to the utilization of intermittent operation. Therefore, the current study presents numerical simulation potential in evaluating the radiant floor heating effects on indoor thermal environment, taking into account building thermal inertia and transient external climatic conditions.     

Influence of the Temperature on Coccolith-Containing Systems from Emiliania huxleyi Cultivations

Thermogravimetric analysis of a coccolith-containing biogenic broth showed a three-step degradation process. According to this system behavior, the biogenic broth was heated to specific temperatures and characterized in terms of its morphology, surface chemistry, and crystallinity. The elemental and organic composition of the treated samples was also evaluated and compared to the reference material. The presented results were acquired in an effort to exploit pretreatment scenarios for such a biogenic system that would improve and support a separation process.     

Role of Nd-Ni on structural,spectral and dielectric properties of strontium-barium based nano-sized X-type ferrites

The influence of neodymium and nickel substitution on structural and dielectric parameters was investigated in strontium-barium X-type hexagonal ferrites having composition SrBaCu_2?xNi_xNd_yFe_28?yO₄₆ (x = 0, 0.2, 0.4, 0.6, 0.8, 1 and y = 0, 0.02, 0.04, 0.06, 0.08, 0.1). Sol-gel method was employed for synthesizing these hexagonal ferrites. The XRD plots of all studied materials which were annealed at 1250 °C show single phase characteristics. Lattice parameter ‘c’ increased as a consequence of larger radius of rare earth ion (Nd³⁺) as compared to (Fe³⁺), while lattice parameter ‘a’ showed very small variation. The cell volume was obtained in the range 2508.32–2523.75 (ų). The inclusion of Nd-Ni also affected X-ray density, bulk density and porosity. The FTIR spectroscopy indicated the particular absorption peaks of hexagonal ferrites and it was performed in the range of 500–700 cm^?1. On account of Nd-Ni doping, the dielectric constant, dielectric loss and AC-conductivity showed decreasing trend. The occupancy of Nd³⁺ ions at octahedral site impedes the valence alternation of Fe³⁺; therefore there was decrease in dielectric permittivity. Ac conductivity has been decreased from 9.14 to 6.49 (Ω cm)^?1 at frequency of 2.7 GHz. The Cole-Cole plots of synthesized materials noticeably revealed grain boundary contribution. The appearance of single semi-circle in impedance Cole-Cole graphs confirms the exceptional role of grain boundaries in the conduction process. The considerably lower dielectric parameters of investigated nano X-type ferrites propose their feasibility for high-frequency applications (phase shifters, dielectric resonators, stealth technology etc).     

Calorimetric study of ytterbium orthovanadate YbVO4 polycrystalline ceramics

The heat capacity of ytterbium orthovanadate was first measured by adiabatic calorimetry in the temperature range T?=?12.28–344.06?K. No obvious anomalies were observed on the curve obtained. The values of standard thermodynamic functions in the temperature range T?=?0–400 K were calculated. Based on low-temperature calorimetry data obtained, previously published data on the high-temperature heat capacity of ytterbium orthovanadate were corrected. The anomalous contribution to heat capacity for YbVO₄ was compared with the data known for YbPO₄.