Encapsulation of Hydrocortisone and Mesalazine in Zein Microparticles

Zein was investigated for use as an oral-drug delivery system by loading prednisolone into zein microparticles using coacervation. To investigate the adaptability of this method to other drugs, zein microparticles were loaded with hydrocortisone, which is structurally related to prednisolone; or mesalazine, which is structurally different having a smaller LogP and ionizable functional groups. Investigations into the in vitro digestibility, and the electrophoretic profile of zein, and zein microparticles were conducted to shed further insight on using this protein as a drug delivery system. Hydrocortisone loading into zein microparticles was comparable with that reported for prednisolone, but mesalazine loading was highly variable. Depending on the starting quantities of hydrocortisone and zein, the average amount of microparticles equivalent to 4 mg hydrocortisone, (a clinically used dose), ranged from 60-115 mg, which is realistic and practical for oral dosing. Comparatively, an average of 2.5 g of microparticles was required to deliver 250 mg of mesalazine (a clinically used dose), so alternate encapsulation methods that can produce higher and more precise mesalazine loading are required. In vitro protein digestibility revealed that zein microparticles were more resistant to digestion compared to the zein raw material, and that individual zein peptides are not preferentially coacervated into the microparticles. In combination, these results suggest that there is potential to formulate a delivery system based on zein microparticles made using specific subunits of zein that is more resistant to digestion as starting material, to deliver drugs to the lower gastrointestinal tract.

土样扰动影响的评价及其先期固结压力的确定

本文在引进扰动特征量的基础上,建议一种评价受扰动土样的性质的分析方法。根据土样扰动对土的e-logp压缩曲线的影响,提出了一个能描述受到不同程度扰动土的压缩曲线的数学模型,并据此建立了利用扰动和重塑样压缩试验的结果来估算“不扰动土”(即理想土样)先期固结压力p_c的方法。通过四个场地土的试验结果验证,它对于大多数粘性土是适用的,估算的p_c值及修正后的压缩曲线可以为分析其它土工问题提供有用的数据。

A study on the effect of Zataria multiflora Bioss essential oil and Nisin on the growth of Lactococcus garvieae in the rainbow trout fillet (Oncorhynchus mykiss)

The ever-increasing population of the world and the growing need for animal protein has doubled the modern man’s demand for food. Additionally, the improvement in the general public health, and the worsening of environmental/ecological pollution have prompted today’s world to look for ways to procure healthy food. And one such attempt is the use of natural preservatives to decrease the bacterial load in foodstuffs, in other words, to increase their durability. This study evaluates the effects of different concentrations of Zataria multiflora Bioss (EO 0, 0.005, 0.015, 0.045, 0.135, 0.405%) and Nisin (0, 0.25, 0.5, 0.75 μg/ml) and storage time (9 days) on the growth of Lactococcus garvieae Ir-170A(856bp) alone, and their combination in a food model system (fillets of the rainbow trout (Oncorhynchus mykiss). Additionally, the growth of a sample of this bacteria in laboratory conditions was studied. The results of this study showed that different concentrations of Nisin had a significant impact (p<0.05) on Lactococcus garvieae. With the value of t in 0.75 μg/ml, the effectiveness rose to 65.77%; the biggest effect on Lactococcus garvieae. And the effect at 4 0C exceeded 80C. The study has also demonstrated that all concentrations of Zataria multiflora Bioss were effective against Lactococcus garvieae. However, with the value of t at 0.405%, the effectiveness was 71.91%. This value had the biggest effect on Lactococcus garvieae. At 4 0C, the effect surpassed the one at 80C. The synergistic effects of the EO and Nisin showed that with the value of t at 0.405% EO and 0.75 μg/ml Nisin was 14.62% had the greatest effect on Lactococcus garvieae. In this study, multi-factorial effects for different concentrations of Zataria multiflora Bioss (EO 0, 0.005, 0.015, 0.0025%), three different concentrations of 122 Nisin (0, 0.25,0.75 μg/ml) and two different levels of PH (5.5 , 7) at two incubation temperatures (15,37) on logp% of Lactococcus garvieae during 43 days in BHI broth were evaluated. Most of the effects on Lactococcus garvieae occurred in PH 5.5 and at a temperature of 150C.

PFU微型生物群落监测中异养性指数的应用研究及其分形分析

对常德和汉江的异养性指数(HI)进行了分形分析,表明异养性指数在二维空间分布具有自相似性.异养性指数数据点与化学综合污染指数(P)数据点在双对数坐标中分段拟合时,当常德和汉江的LogP分别小于0 602和0 493时,常德和汉江的分形维数分别为0 39332和0 74110;当常德和汉江的LogP大于0 602和0 493时,常德和汉江的分形维数分别为0 30678和0 27239.拐点的出现表明异养性指数的变化在两个尺度域内遵从着不同的规律.拐点尺度以前,分维数较高,表明群落组成复杂,群落所受污染压迫较

并行最优路径算法及并行层次通信模型LogGP(h)研究

随着以数据为中心的超级计算时代的到来，在各种以图为数据结构的应用中数据规模日益增大，数据量的急剧增加使得串行最优路径算法成为应用的性能瓶颈，已不能满足大规模最优路径求解的实时性要求。然而，最优路径求解算法的并行化却对图的类型有高度的敏感性，尤其是对一些稀疏图，如交通网络图，目前并没有很好的算法提供足够的并行性[1]。对此，本文提出、实现和优化了一种新的基于网络划分和迭代更新的并行最优路径算法，并用真实的交通网络数据在IBM JS21集群和曙光5000A两种平台上对算法进行了评测。测试结果表明，该算法具有较好的性能，在IBM JS21集群上，使用16个进程会出现约15倍的加速比；而在曙光5000A上，算法使用同一节点内的16个核获得了约20倍的超线性加速比。 本文的另一部分研究工作集中在新的并行计算模型方面。研究者所提出的并行计算模型有很多，从基于共享存储器结构的第一代并行计算模型，到针对于分布式存储结构的第二代并行模型，再到考虑存储层次性的第三代并行计算模型，却较少有模型考虑到通信的层次性。 大规模集群系统往往由几百到几千、甚至上万个节点构成，网络拓扑结构复杂。在这样的大规模集群系统中，点对点通信的性能并不总是一致的。这种非一致的通信性能随着网络拓扑的复杂化呈现层次性的变化，本文首先提出了层次化非一致性带宽和延迟(Hierarchical Communication Latency and Bandwidth：HCLB)的概念，并以进程映射对MPI Allgather的四种算法性能影响说明了由多核结构引起的通信层次性；之后，本文将大规模集群系统中的HCLB现象模型化，提出LogGP(h)并行通信模型。LogGP(h)在LogGP模型基础上，通过参数h将网络拓扑结构抽象到模型中，很好的表达了通信层次性。本文在具有8个刀片的IBM JS21集群上对点对点通信和集合通信开销进行模型分析和实际测试，实验结果表明，LogGP(h)较未引入参数h的LogGP模型更精确。

聚酰亚胺的合成和透气行为的研究

本文合成了十四种带有不同取代基的音环和双环芳二胺和一种双醚芳二酐，其中有六种芳二胺是未见报道的新化合物一种双醚芳二酐。合成了六十余种均聚酰亚胺和四十余种共聚酰亚胺，其中十八种带有不同侧基的均聚物和三十余种共聚物是未见报道的新聚合物。DSC和WAXD研究表明，这些聚酰亚胺均为无定型结构，聚有很高的玻璃化温度。当采用化学酰亚胺化的两步法合成聚酰亚胺时，由带有侧基的二苯甲烷二胺和甲基取代的间苯二胺合成的RTDA型、ODPA型、TDPA型和HQDPA型聚酰亚胺象6FDA型聚酰亚胺一样，均可溶于DMF、DMAc、NMR等极性非质溶剂和CHCl_3等卤代烃类溶剂。当采用无取代基的芳二胺合成聚酰亚胺时，二酐单体的化学结构对聚酰亚胺的透气性和透气选择性有很大的影响。双环二酐型聚酰亚胺的透气性的大小顺序为：6FDA型 > DSDA型 > TDPA型～ODPA型 > BTDA型 > BPDA型，透气选择性的大小顺序与此相反。在三种多环二酐型聚酰亚胺中，BPADA型聚醚酰亚胺的透气性最大，比HQDPA型聚醚酰亚胺好得多，但透气造反性很差，EsDA型聚酯酰亚胺的透气性极低，是优良的阻透气材料。二胺单体的结构对聚酰亚胺的透气性和透气选择性也有很大的影响。由无取代基的双环二胺合成的ODPA型和HQDPA型聚醚酰亚胺的透气性的大小顺序为：IPDA型 > DDS型 > MDA型 > DABP型 > 联苯胺型，透气选择性的大小顺序恰好与此相反。二胺分子中的取代基对聚酰亚胺的透气性和透气选择性的影响是非常复杂的。在MDA的每个苯环的适当位置引入1～2个适当的取代基后，ODPA型、BTDA型、TDPA型和HQDEA型聚酰亚胺的透气性和透气选择性可同时提高，这在很大程度上解决了气体分膜材料的透气性透气选择性相矛盾的问题。由高透气性低透气选择性组份A和低透气性高透气选择性组份B组成的共聚醚酰亚胺，透气系数P与共聚物组成的关系满足下列关系式：LogP = x_ALogP_A + X_BLogP_B式中，X_A和X_B分别为A组份和B组份的摩尔分数，P_A和P_B分别为A组份和B组份的透气系数。

纳滤和生物活性炭去除微污染原不中阿特拉津

除草剂阿特拉津的大量生产和广泛使用形成了对饮用水源的严重污染，目前在世界范围内的地表水和地下水中均检出一定浓度的阿特拉津，这对人类健康构成严重威胁。本文研究了采用纳滤技术和生物活性炭技术去除微污染原水中阿特拉津的可行性，对上述两种技术的去除效率、作用机理和影响因素进行了研究，并探讨了它们在未来饮用水深度处理中的优势和不足。本论文获得了以下一些具有重要意义的研究结果：（1）除天然有机物外，原水中无机离子在膜表面或孔径内吸附，引起膜有效孔径减小，使纳滤膜对农药截留率提高并降低水通量；在所研究的两个系列四种纳滤膜中，UTC-20截留阿特拉津达90％，截留其他有机物＞95％，对硝酸盐截留率＞70％，是迄今报道的对硝酸盐去除效率最高的纳滤膜，适于去除原水中阿特拉津和硝酸盐的双重污染；由于水合作用，纳滤膜对分子量相似有机物的截留率与有机物的油水分配系数（LogP）呈显著线性负相关，这一研究结果丰富了对有机物疏水性影响纳滤膜截留性能的认识。（2）筛选到一株能够以阿特拉津为惟一碳源生长的菌株-SYSA，经生理生化特性鉴定和1 6SrRNA基因序列分析，该菌为阴沟肠杆菌（Enterobacter cloacae）。这是首次报道肠杆菌属微生物可降解阿特拉津。对SYSA菌的生物学特性研究表明，SYSA菌可耐”受阿特拉津浓度100mg／L；pH7-8，30℃时，在以阿特拉津（20mg／L）惟一碳源的培养基上经146h培养，降解率为87％，该菌代时为2．gld，生长速率为（R）0.344dsel。（3）将SYsA菌接入活性炭柱，形成生物活性炭去除水中微量阿特拉津。研究结果表明空床接触时间为40min、温度为16℃±4℃、溶解氧为4.3-4.6mg／L时，120天后未接菌对照柱去除率下降至30％，而降解菌柱的去除效率却仍保持在65％～75％，延长了炭的使用时间。DGGE图谱表明未接菌对照柱、土壤悬液柱和降解菌柱上均有自来水中的微生物，但降解菌柱上还是以SYSA菌为优势菌。上述研究结果为纳滤或生物活性炭技术用于处理微污染原水、井直接生产饮用水提供了科学依据。

用分子轨道法探讨油田废水中取代苯系物的毒性效应

采用半经验的分子轨道AM1方法中的MOPAC软件包计算了55种在油田废水中易于检出的取代苯系物的分子轨道能(EHOMO,ELUMO,ENHOMO,ENLUMO)、分子生成热(△H0f)和偶极矩(μ)等量化参数,结合一阶价分子连接性指数(1XV)和正辛醇/水分配系数(logP)与实验所得发光菌的半数活性浓度(EC50)成功建立了多参数定量-结构活性关系模式.在分类建模的基础上,又获得了仅包含1XV和EHOMO两个参数的55种取代苯系物的定量结构-活性相关模式.探讨了不同取代基的毒性作用机制.结果表明,量化参数与物化参数结合能够很好地预测油田废水中具有不同取代基团的取代苯系物的生物活性,预测模式中量子化学参数的出现有利于深入探讨油田废水中有机污染物的毒性效应.

Study on QSPR of alcohols with a novel edge connectivity index F-m

A novel edge degree f(i) for heteroatom and multiple bonds in molecular graph is derived on the basis of the edge degree delta(e(r)). A novel edge connectivity index F-m is introduced. The multiple linear regression by using the edge connectivity index F-m and alcohol-type parameter delta, alcohol-distance parameter L can provide high-quality QSPR models for the normal boiling points (BPs), molar volumes (MVs), molar refraction (MRs), water solubility(log(1/S)) and octanol/water partition (logP) of alcohols with up to 17 non-hydrogen atoms. The results imply that these physical properties may be expressed as a liner combination of the edge connectivity index and alcohol-type parameter, 6, alcohol-distance parameter, L. For the models of the five properties, the correlation coefficient r and the standard errors are 0.9969,3.022; 0.9993, 1.504; 0.9992, 0.446; 0.9924,0.129 and 0.9973,0.123 for BPs, MVs, MRs, log(1/S) and logP, respectively. The cross-validation by using the leave-one-out method demonstrates the models to be highly reliable from the point of view of statistics.

有机化合物的疏水性参数的计算──结构片断常数法

本文在结构片断常数法原理[1]基础上，设计出计算有机化合物的疏水参数的程序软件（CACP），并应用此程序计算了卤代烃类，含硝基烃类，酸和酯类有机化合物的疏水参数LogP值，所得的结果与同类的其他方法所得结果相比较来看，用CACP计算法所得的LogP值与化学实验所得的LogP值更为符合.

Synthesis and quantum-chemistry analysis on novel triazole compounds containing ester group

Nine novel triazole compounds containing ester group were designed and synthesized. Their structures were confirmed by elemental, H-1 NMR and IR analyses, and optimized by means of DFT (Density Functional Theory) method at the B3LYP/6-31G* level. Based on the quantum-chemical calculation results and the Pearson coefficients between FA and quantumchemical parameters, V, LogP, MR and E-HOMO are shown to be the important relative factors which affect FA of the title compounds.

Quantitative structure-hydrophobicity relationships of molecular fragments and beyond

Quantitative structure-property relationship (QSPR) models were firstly established for the hydrophobic substituent constant (πX) using the theoretical descriptors derived solely from electrostatic potentials (EPSs) at the substituent atoms. The descriptors introduced are found to be related to hydrogen-bond basicity, hydrogen-bond acidity, cavity, or dipolarity/polarizability terms in linear solvation energy relationship, which endows the models good interpretability. The predictive capabilities of the models constructed were also verified by rigorous Monte Carlo cross-validation. Then, eight groups of meta- or para- disubstituted benzenes and one group of substituted pyridines were investigated. QSPR models for individual systems were achieved with the ESP-derived descriptors. Additionally, two QSPR models were also established for Rekker's fragment constants (foct), which is a secondary-treatment quantity and reflects average contribution of the fragment to logP. It has been demonstrated that the descriptors derived from ESPs at the fragments, can be well used to quantitatively express the relationship between fragment structures and their hydrophobic properties, regardless of the attached parent structure or the valence state. Finally, the relations of Hammett σ constant and ESP quantities were explored. It implies that σ and π, which are essential in classic QSAR and represent different type of contributions to biological activities, are also complementary in interaction site.

Política y legislación peninteriaria en España : ¿qué le interesa saber al pedagogo?

Si nos referimos a la educación de adultos, la Ley Orgánica del Poder General Penitenciaria ( LOGP) no ofrece un desarrollo real en la práctica penitenciaria, ya que las condiciones de los establecimientos, el hacinamiento, la falta de espacios, la falta de personal, el aspecto regimental, etcétera, dificultan la aplicación y desarrollo pleno de sus preceptos. A ello se une la presencia de un establecimiento penitenciario de diferentes subculturas que conviven en los mismos espacios y tiempos, pero que tienen un componente común, su enraizamiento en la marginación. Estas dificultades estructurales y funcionales hacen pensar que el modelo escolar, que es el que más encaja con la reglamentación característica del sistema penitenciario y que se mantiene en la actualidad, no es el más adecuado para aportar la realidad diferencial de la prisión. Por el contrario, en la prisión bien podrían adoptarse otros modelos de intervención más ajustados a las características de la vida carcelaria. Creemos que podemos tratar a los delincuentes desde y en el contexto penitenciario, para alcanzar la reinserción y reeducación social. La prisión no es un instrumento pedagógico idóneo, pero debe ser un ámbito para la actuación de la pedagogía. Será necesario reflexionar al amparo del nuevo Reglamento sobre las funciones del pedagogo dentro de las instituciones penitenciarias. Esta reflexión debe partir del propios colectivo y centrarse en la definición de objetivos y en la intervención de la educación social. Su intervención se caracteriza por dos acciones: primero, el contenido de su ámbito le facilita la posesión de una estructura integral de lo que significa aprender y modificar conductas, tanto a nivel individual como social; en segundo lugar, el pedagogo adopta estrategias educativas, y no clínicas, lo que refuerza el aspecto preventivo, la generalización de los procedimientos a otros contextos (escuela, familia, barrio) y hace posible adopción de programas comprensivos y globales.