Numerical Modeling of Momentum Dispersion in Porous Media Based on the Pore Scale Prevalence Hypothesis

Transport in Porous Media - A macroscopic model that accounts for the effect of momentum dispersion on flows in porous media is proposed. The model is based on the pore scale prevalence hypothesis...     

玉米秸秆/羧甲基纤维素复配水凝胶水分释放行为

以粉碎的玉米秸秆(RCS)和羧甲基纤维素(CMC)为原料,制备了含水质量分数可达97.47%的玉米秸秆/羧甲基纤维素复配水凝胶(RCS/CMC)。考察了交联剂、CMC和RCS用量对RCS/CMC凝胶模量的影响,凝胶在缓冲溶液中的降解行为和土壤中的失重行为,以及凝胶对土壤持水量、玉米种子萌发的影响。结果表明,与对照实验比较,RCS/CMC凝胶可以提高土壤持水率1.00%~1.61%,在37 ℃缓冲溶液中用纤维素酶处理4 d后降解率约80%,土壤中25 d后失重约94%;用CMC/RCS凝胶处理玉米种子,虽然平均延长了种子萌发时间,但种子的萌发率较高。其中相对湿度18%、20%、23%、26%、28%和30%的萌发试验,由于水分胁迫对照实验种子不能萌发,而CMC/RCS凝胶处理的种子发芽率仍可达到97%。     

非饱和正冻土的三场耦合理论框架

在``饱和正冻土的理论构架'的基础上,假定了冻土体内的空气的流动是一 种Darcy流,进一步考虑了非饱和土中气相的影响,提议了一种综合考虑两种极端 情况：(1) 气体与外界完全相通. (2) 气体与外界完全不相通的相关水、热、力相 耦合的多孔多相介质理论构架------半连通、半封闭非饱和正冻土理论构架. 重点讨论了较简单的气体半连通半封闭的非饱和孔隙冻土体的三场耦合模型. 为 检验三场耦合分析模型及所开发的针对冻土工程三场耦合模型的软件系统3G2001 的合理性与正确性, 与214国道花石峡 试验路基实测的地温变化和路基路面变形 进行了对比验证, 对比结果显示: 路基中分析所得的温度场与实测值变化规律一 致, 量化相差大都在10\%$\sim$20\%以内; 分析所得耦合变形随时间的变化也与 实测值完全一致, 路中的分析变形与实测相差也在10%-20%以内     

蛋白质离子交换平衡模型

本文综述了蛋白质的离子交换平衡模型的研究进展，包括Langmuir模型、质量作用模型以及建立在双电层理论基础上平行板模型和表面过剩模型，分析比较了各模型的特点和存在的问题，对今后的研究方向进行讨论。     

Insights into molecular basis of cytochrome p450 inhibitory promiscuity of compounds

Cytochrome P450 inhibitory promiscuity of a drug has potential effects on the occurrence of clinical drug-drug interactions. Understanding how a molecular property is related to the P450 inhibitory promiscuity could help to avoid such adverse effects. In this study, an entropy-based index was defined to quantify the P450 inhibitory promiscuity of a compound based on a comprehensive data set, containing more than 11,500 drug-like compounds with inhibition against five major P450 isoforms, 1A2, 2C9, 2C19, 2D6, and 3A4. The results indicated that the P450 inhibitory promiscuity of a compound would have a moderate correlation with molecular aromaticity, a minor correlation with molecular lipophilicity, and no relations with molecular complexity, hydrogen bonding ability, and TopoPSA. We also applied an index to quantify the susceptibilities of different P450 isoforms to inhibition based on the same data set. The results showed that there was a surprising level of P450 inhibitory promiscuity even for substrate specific P450, susceptibility to inhibition follows the rank-order: 1A2 > 2C19 > 3A4 > 2C9 > 2D6. There was essentially no correlation between P450 inhibitory potency and specificity and minor negative trade-offs between P450 inhibitory promiscuity and catalytic promiscuity. In addition, classification models were built to predict the P450 inhibitory promiscuity of new chemicals using support vector machine algorithm with different fingerprints. The area under the receiver operating characteristic curve of the best model was about 0.9, evaluated by 5-fold cross-validation. These findings would be helpful for understanding the mechanism of P450 inhibitory promiscuity and improving the P450 inhibitory selectivity of new chemicals in drug discovery.     

复合声子结构的声场模拟及噪声-压电转化设计

城市噪声作为一种污染源,给人们的生活带来不便;同时噪声中蕴含的能量没有被合理利用,造成浪费。为了解决此问题,该文设计引入了点缺陷的声子晶体、纤维层、压电材料复合结构,对入射噪声进行有效吸收并在点缺陷处对入射声压有较明显的声压加强。采用有限元和边界元的方法,对该复合结构的降噪发电效果进行数值模拟。结果显示在输入声压为2 Pa时,声子晶体结构带隙1.1 kHz处,吸声系数达到0.6,压电片有最高的输出电压0.5 V,输出功率密度达到308.49μW/cm~3。与传统降噪结构相比能更好地实现对声能的吸收与利用。     

不同作物品种超弱生物光子发射的比较

利用自行研制超弱发光探测系统,对不同品种的甘蔗和(组培)菜心叶片的超弱生物光子发射(UBE)进行了比较.试验发现大田生长处于糖份积累期的高糖品种和低糖品种(组合)甘蔗的+1叶片UBE差别很明显;组培的两种菜心经不同时间的热处理,不耐热品种比耐热品种的UBE变化剧烈得多.表明了品种间的某种内在差异,预示了UBE的农业应用前景.     

Synthesis of Folic Acid Functionalized PLLA‐b‐PPEGMA Nanoparticles for Cancer Cell Targeting

Poly(L ‐lactic acid)‐block‐poly(poly(ethylene glycol) monomethacrylate) (PLLA‐b‐PPEGMA) has been prepared by the ring‐opening polymerization of lactide with a double‐headed initiator, 2‐hydroxyethyl 2′‐methyl‐2′‐bromopropionate (HMBP), followed by atom transfer radical polymerization (ATRP) of poly(ethylene glycol) monomethacrylate (PEGMA). PLLA‐b‐PPEGMA nanoparticles with encapsulated Fe₃O₄ are prepared by a solvent evaporation/extraction technique, and then further functionalized with folic acid, a cancer targeting ligand. Our results show that such functionalized PLLA‐b‐PPEGMA nanoparticles have good potential as carriers for targeted drug delivery in cancer treatment.