一种新型甘油三酯吸附剂的制备及其对血清中甘油三酯的吸附性能研究

合成了一种新型的甘油三酯吸附剂-磺化羟乙基化交联壳聚糖，用其对血浆中甘油三酯进行吸附．实验结果表明，该吸附剂最高可使血清中的甘油三酯降低76．9％（每克树脂吸附量为6．25mg），而对血清中总蛋白（TP）的吸附较少．     

一种新型的地塞米松棕榈酸酯脂质体制剂及其对小鼠的抗炎作用研究

本文报道了一种新型的长循环脂质体地塞米松棕榈酸酯 (DPL long-circulating) 的药物运载系统。将磷脂和胆固醇通过薄膜分散-挤压法得到该DPL long-circulating。考察了该DPL long-circulating配方的稳定性。用老鼠实验来评价DPL long-circulating, DPL和DSP的抗炎活性与急毒性。应用薄膜分散-挤压的方法可以成功得到DPL long-circulating。实验结果表明DPL long-circulating有均匀的粒径和稳定的性质。在抗炎实验中,DPL long-circulating和DPL表现出比DSP更强的抗炎效果。急性毒性实验则表明DSP注射液与DPL long-circulating和DPL相比有较小的毒性,提示DPL long-circulating和DPL可能因为被动靶向作用从而提高了生物利用度。使用上述方法得到的DPL long-circulating满足了质量要求,并且有较高的抗炎活性及急毒性。     

一种红光树枝状铱配合物的合成、表征及其对Hg2+的识别研究

本文基于Ir(Btp)2(acac)为发光内核,合成了一种外围为萘环的苄醚型树枝状红光铱配合物,并通过NMR、MS和元素分析实验表征了该配合物。利用紫外-可见吸收光谱与磷光光谱实验研究了该配合物对金属离子的识别作用。结果表明:在CH3CN/THF溶液中,仅Hg2+的加入能引起配合物的最大吸收峰和发射峰均发生蓝移,溶液颜色由桔黄色变为浅绿色。该配合物可作为识别汞离子的光化学传感器。     

一种新的氨基酸描述子及其在肽QSAR中的应用

从天然氨基酸的25个结构与拓扑变量中经主成分分析得到一种新的氨基酸描述子——VSTV （principal component scores vector of structural and topological variables）.应用该描述子对以下3个体系,即血管紧张素转化酶抑制剂（2肽）、抗菌18肽和促凝血酶原激酶抑制剂（6～12肽）进行分子结构参数化表达,并在此基础上通过偏最小二乘回归(PLSR)建立定量构效关系(QSAR)模型,取得了优于文献的结果.模型的复相关系数（R2）和交互检验复相关系数（Q2）分别为0.789, 0.767; 0.996, 0.879; 0.981, 0.480.     

Binding Characteristics Study of DNA based Aptamers for E. coli O157:H7

E. coli O157:H7 is a pathogenic bacterium producing verotoxins that could lead to serious complications such as hemolytic uremia syndrome. Fast detection of such pathogens is important. For rapid detection, aptamers are quickly gaining traction as alternative biorecognition molecules besides conventional antibodies. Several DNA aptamers have been selected for E. coli O157:H7. Nonetheless, there has not been a comparative study of the binding characteristics of these aptamers. In this work, we present a comprehensive analysis of binding characteristics including binding affinity (K_d) and binding capacity (B_max) of DNA-based aptamers for E. coli O157:H7 using qPCR. Our results show that aptamer E18R has the highest binding capacity to E. coli 157:H7 and the highest specificity over non-pathogenic E. coli strains K12 and DH5α. Our study also finds that the common biotin-tag modification at 5′ end typically changes the binding capacity significantly. For most of the selected aptamers, the binding capacity after a biotin-tag modification decreases. There exists a discrepancy in the binding capability between the selected aptamer and the aptamer used for detection. Our study also shows that a lower concentration of Mg²⁺ ions in the binding buffer leads to a decrease in the binding capacity of E17F and E18R, while it does not affect the binding capacity of S1 and EcoR1.     

In Silico Prediction,Molecular Docking and Dynamics Studies of Steroidal Alkaloids of Holarrhena pubescens Wall. ex G. Don to Guanylyl Cyclase C: Implications in Designing of Novel Antidiarrheal Therapeutic Strategies

The binding of heat stable enterotoxin (STa) secreted by enterotoxigenic Escherichia coli (ETEC) to the extracellular domain of guanylyl cyclase c (ECD_GC-C) causes activation of a signaling cascade, which ultimately results in watery diarrhea. We carried out this study with the objective of finding ligands that would interfere with the binding of STa on ECD_GC-C. With this view in mind, we tested the biological activity of a alkaloid rich fraction of Holarrhena pubescens against ETEC under in vitro conditions. Since this fraction showed significant antibacterial activity against ETEC, we decided to test the screen binding affinity of nine compounds of steroidal alkaloid type from Holarrhena pubescens against extracellular domain (ECD) by molecular docking and identified three compounds with significant binding energy. Molecular dynamics simulations were performed for all the three lead compounds to establish the stability of their interaction with the target protein. Pharmacokinetics and toxicity profiling of these leads demonstrated that they possessed good drug-like properties. Furthermore, the ability of these leads to inhibit the binding of STa to ECD was evaluated. This was first done by identifying amino acid residues of ECD_GC-C binding to STa by protein–protein docking. The results were matched with our molecular docking results. We report here that holadysenterine, one of the lead compounds that showed a strong affinity for the amino acid residues on ECD_GC-C, also binds to STa. This suggests that holadysenterine has the potential to inhibit binding of STa on ECD and can be considered for future study, involving its validation through in vitro assays and animal model studies.     

纳米二氧化锡电极的制备及其用于水体中大肠杆菌的快速计数研究

制备了新型纳米二氧化锡电极, 将此电极用于水体中大肠杆菌的快速计数研究. 实验结果表明, 用该电极为工作电极, 采用计时电流法能简便、快速、灵敏地对水体中的大肠杆菌进行计数. 通过大肠杆菌脂质过氧化后丙二醛含量的检测, 对大肠杆菌在纳米二氧化锡电极上的电化学响应机理进行了初步的探讨.     

A Biokinetic Model to Describe Consequences of Inhibition/Stimulation in DNA-Proofreading and -Repair,Part 2. Calibration of the Model

Summary.  A biokinetic model has been developed to describe the mathematical consequences of inhibition, respectively stimulation of proofreading. According to data reported in the literature, a first approximative calibration of the model has been carried out in an attempt to make it both: practically applicable and comparable with experimental data and clinical facts. The model is open for further improvements and adjustable according to results of further researches via the parameters chosen. In a first test of the model it is shown that it does well reflect the results described in the literature upon proof-reading-inhibition and its consequences, i.e., the reduction of replication-fidelity (→ exponential increase of malignant cells with time). As a further result it is shown that the model also does well describe in its kinetic approach opposite effects as, e.g., a reduction of wrong genetic information by classical cancer-therapies like chemotherapy and surgergy. The system is orientated towards known biochemical relations and chemical similarities together with a discussion of the potential chance which offer special combinations of chemically identifyable substances (like nucleotides’ precursors or effector-molecules contained in low-molecular-human-placenta-extracts as an alternative to umbilical cords’-blood/cells) as stimulators of the enzymatic proof-reading- and -repair-machinery. E-mail: Haschke.H@isovolta.com Received January 20, 2002; accepted (revised) June 26, 2002     

Iphiona mucronata (Forssk.) Asch. & Schweinf. A Comprehensive Phytochemical Study via UPLC-Q-TOF-MS in the Context of the Embryo- and Cytotoxicity Profiles

Iphiona mucronata (Family Asteraceae) is widely distributed in the Eastern desert of Egypt. It is a promising plant material for phytochemical analysis and pharmacologic studies, and so far, its specific metabolites and biological activity have not yet been thoroughly investigated. Herein, we report on the detailed phytochemical study using UPLC-Q-TOF-MS approach. This analysis allowed the putative annotation of 48 metabolites belonging to various phytochemical classes, including mostly sesquiterpenes, flavonoids, and phenolic acids. Further, zebrafish embryotoxicity has been carried out, where 100 µg/mL extract incubated for 72 h resulted in a slow touch response of the 10 examined larvae, which might be taken as a sign of a disturbed peripheral nervous system. Results of in vitro testing indicate moderate cytotoxicity towards VERO, FaDu, and HeLa cells with CC₅₀ values between 91.6 and 101.7 µg/mL. However, selective antineoplastic activity in RKO cells with CC₅₀ of 54.5 µg/mL was observed. To the best of our knowledge, this is the first comprehensive profile of I. mucronata secondary metabolites that provides chemical-based evidence for its biological effects. A further investigation should be carried out to precisely define the underlying mechanisms of toxicity.