基于自归一化神经网络的脉冲星候选体选择

脉冲星候选体选择是脉冲星搜寻任务中的重要步骤.为了提高脉冲星候选体选择的准确率,提出了一种基于自归一化神经网络的候选体选择方法.该方法采用自归一化神经网络、遗传算法、合成少数类过采样这三种技术提升对脉冲星候选体的筛选能力.利用自归一化神经网络的自归一化性质克服了深层神经网络训练中梯度消失和爆炸的问题,大大加快了训练速度.为了消除样本数据的冗余性,利用遗传算法对脉冲星候选体的样本特征进行选择,得到了最优特征子集.针对数据中真实脉冲星样本数极少带来的严重类不平衡性,采用合成少数类过采样技术生成脉冲星候选体样本,降低了类不平衡率.以分类精度为评价指标,在3个脉冲星候选体数据集上的实验结果表明,本文提出的方法能有效提升脉冲星候选体选择的性能.     

Phenoxyaromatic Acid Analogues as Novel Radiotherapy Sensitizers: Design,Synthesis and Biological Evaluation

Radiotherapy is a vital approach for brain tumor treatment. The standard treatment for glioblastoma (GB) is maximal surgical resection combined with radiotherapy and chemotherapy. However, the non-sensitivity of tumor cells in the hypoxic area of solid tumors to radiotherapy may cause radioresistance. Therefore, radiotherapy sensitizers that increase the oxygen concentration within the tumor are promising for increasing the effectiveness of radiation. Inspired by hemoglobin allosteric oxygen release regulators, a series of novel phenoxyacetic acid analogues were designed and synthesized. A numerical method was applied to determine the activity and safety of newly synthesized compounds. In vitro studies on the evaluation of red blood cells revealed that compounds 19c (∆P₅₀ = 45.50 mmHg) and 19t (∆P₅₀ = 44.38 mmHg) improve the oxygen-releasing property effectively compared to positive control efaproxiral (∆P₅₀ = 36.40 mmHg). Preliminary safety evaluation revealed that 19c exhibited no cytotoxicity towards HEK293 and U87MG cells, while 19t was cytotoxic toward both cells with no selectivity. An in vivo activity assay confirmed that 19c exhibited a radiosensitization effect on orthotopically transplanted GB in mouse brains. Moreover, a pharmacokinetic study in rats showed that 19c was orally available.     

基质辅助激光解析电离质谱和电喷雾质谱共同快速确证达托霉素结构

运用基质辅助激光解析电离-飞行时间串联质谱(MALDI-TOF/TOF MS)和电喷雾-四级杆-飞行时间质谱(ESI-Q-TOF MS)快速确证环脂肽达托霉素的结构。首先,ESI检测达托霉素相对分子量为1619.7107,与理论值偏差0.0007。选择其双电荷峰m/z 809.848作为母离子进行ESI串联质谱(MS/MS)测定,成功匹配了达托霉素环外氨基酸序列C9H19CO-Trp-Asn-Asp。其次,优化Li OH裂解达托霉素的实验条件,以MALDITOF/TOF MS监测开环效果,获得95%以上的开环样本后,分别运用MALDI和ESI进行MS/MS测定,达托霉素开环产物的b+和y+全部被匹配,达托霉素全部氨基酸序列得到确证。最后,对开环产物的ESI-MS/MS条件进一步优化,获得了丰富的低端碎片离子,解析了脂肪酸链结构,并绘制了脂肪酸链的裂解图。本方法快速、简便、准确,是确证环脂肽类化合物结构的可靠方法。     

InGaAs探测器中的双孔法非线性校正技术

探测器的非线性误差是影响光谱仪器精度的主要因素,采用双孔法解决InGaAs探测器的非线性校正问题,消除了InGaAs探测器非线性误差对水红外分析仪吸光度示值的影响。实验结果表明,水红外分析仪经非线性校正后的吸光度偏差明显小于校正前的吸光度偏差,提高了仪器测定结果的准确度。     

Preparation,characterization, and properties of fluorinated polyurethanes

Novel fluorinated polyurethanes (FPUs) were prepared by living radical polymerization of polyurethanes and hexafluorobutyl acrylate. The structures of the FPUs were characterized by FTIR, ¹H NMR, GPC, DSC, and XPS. The fluorinated polyurethane polymerization was investigated and showed monomer conversion, and molecular weight increased with increasing reaction time. In this way, the fluorine content in polyurethane could be easily adjusted by controlling the content of the fluorinated acrylate monomer. The mechanical evaluation shows that FPUs exhibit good mechanical properties. Morphology of FPU films was observed by scanning electron spectroscopy. The effects of the fluorine content on the surface properties and oxidative stability of FPUs were investigated. FPUs films were devoid of significant surface degradation after immersion in 20% H₂O₂ and 0.1 M CoCl₂ at 37 °C for 5 weeks. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 3248–3256, 2009     

醇类溶液的紫外吸收和荧光光谱研究

采用UV-240紫外分光光度计及Sp-2558多功能光谱测量系统,研究了正丙醇、异丙醇的紫外吸收光谱及荧光光谱,并对它们进行了比较。研究结果表明,使用紫外吸收光谱和荧光光谱很容易鉴别正丙醇与异丙醇,同时也对正丙醇与异丙醇间光谱有差异的原因做出了解释。并进而对甲醇、乙醇、正丙醇与异丙醇4类醇类物质的光谱进行了对照研究,研究结果为醇类物质的识别提供了一种新而有效的测量方法,对量子化学计算也有理论上的参考价值。     

基于预条件LANCZOS算法快速实现三维地电场正演计算

针对三维地电场正演计算过程中形成的超大规模稀疏线性方程组,采用不完全Cholesky分解方法进行预条件处理,经过条件数改善后形成的新线性方程组的系数矩阵变为一个近似的单位矩阵,再应用Lanczos算法将会提高数值计算的稳定性,加快迭代收敛的速度,通常在迭代次数远小于系数矩阵阶数时就能得到较好精确解的近似值,为下一步的电阻率三维反演计算打下了非常好的基础.     

R_滤子的谱及几何性质

By applying the Fourier analysis, we study the spectral properties of R- filters. Further, we prove that R-filters are a generalization of least squares polynomial adjustment, and we give the geometric interpretation of R-filters.     

活用杠杆规则 巧解物化习题

杠杆规则是物理化学相平衡中一个重要规则,它在相平衡涉及物质量的计算中必不可少,灵活运用杠杆规则将对解答相关习题带来方便.要活用杠杆规则有必要先讨论一下杠杆规则的适用范围.对这个问题,各类书籍说法不一,有的教科书认为杠杆规则只能用于两组分体系相图中的两相平衡区[1],有的认为在三元体系的两相区也能运用杠杆规则[2],还有的认为杠杆规则在温度-组成体系的任意两组分共存区内部都成立[3].     

钒-5-溴水杨基荧光酮-氯酸盐体系极谱催化波的研究

在pH4.1的乙酸盐缓冲底液中,钒能与5-溴水杨基荧光酮形成络合物,并吸附在汞电极上,在氯酸盐存在下,在V(Ⅴ)的电极还原过程中形成催化波。用单扫二阶导数极谱法测定时,钒浓度在L.0×10-8～1.0×10-6mol·L-1范围内与峰高成正比关系,检出限为5.0×10-9mol·L-1。测得电活性络合物的组成为V(Ⅴ)5-Br-SAF＝11。平行催化反应的速率常数k=1.9×103(mol·L-1)-1·s-1。