ClF-分子离子的结构与势能函数

采用单、双取代包括三重激发的二次组态相互作用[QCISD(T)]方法和单、双取代包括非迭代三重激发的耦合簇理论[CCSD(T)]方法, 结合相关一致基组aug-cc-pVXZ (X=D, T, Q, 5)对基态³⁵ClF^-和³⁷ClF^- (X²Σ⁺)分子离子进行了结构优化计算. 对CCSD(T)方法的计算结果用四种方法分别外推至基组极限, 得到了体系在基组极限的平衡结构常数. 在CCSD(T)/aug-cc-pVXZ (X=D, T, Q, 5)理论水平进行了单点能扫描. 对扫描计算结果进行基组外推并用Murrell-Sorbie 势能函数拟合得到了体系的解析势能函数表达式, 并进一步得到了³⁵ClF^-和³⁷ClF^-的光谱常数. 拟合所得势能曲线准确地再现了其离解能和平衡结构特征. 对ClF 中性自由基采用完全相同的理论方法进行了计算. 所得结果与有关文献中的实验结果符合得很好, 而且在一定程度上证明了将该理论方法应用于ClF^-分子离子的计算是合适而可靠的. ClF 自由基的优化计算结果还被用于计算其电子亲和能.ClF^-的垂直解离能也同时计算得出. 基于ClF^-的结构优化和单点能扫描计算结果, 通过求解核运动的径向薛定谔方程, 得到了无转动³⁵ClF^-和³⁷ClF^-(X²Σ⁺)的全部振动态及相应的分子常数.     

LABVIEW下冲击试验测试信号分析模块的设计

根据GJB冲击环境试验测试要求,介绍LABVIEW平台下两类典型冲击信号分析模块的设计方法,主要讲述利用多图层叠加编程技术实现GJB150.18-1986标准规定的半正弦波与后峰锯齿波动态套容差曲线分析模块的设计以及利用递归算法实现冲击响应谱分析模块的设计。其次,采用资源DLL封装技术对LABVIEW编程实现的冲击信号分析模块进行封装,在其他编程语言中调用DLL实现冲击信号分析模块在其他编程语言中的功能链接。实践表明,LABVIEW图形化编程技术可快速实现两类冲击信号分析模块的设计,将高速数据采集模块与冲击信号分析模块集成,可有效完成冲击试验测试与信号分析处理任务。     

关于具有二次相关性收获率的捕食与被捕食系统极限环的存在性分析

讨论了一类两种群具有二次相关性收获率的捕食与被捕食系统,利用常微分定性方法和分支理论,得到了系统平衡点处的性态和极限环的存在性条件,并用Matlab软件对其进行数值模拟,推广了相关文献中两种群捕食模型定性分析的相应结论.     

Duplex dual-labeled fluorescence probe-based melting curve and endpoint genotyping assays for genotyping of rs2000999 and haptoglobin gene deletion

Haptoglobin (Hp) is a hemoglobin-binding serum glycoprotein. Some variations in the Hp gene (HP) or Hp-related gene (HPR), including a single-nucleotide polymorphism in intron 2 of HRP, rs2000999, and a complete deletion of the HP gene (HP^del), one of the rare variants of HP, have been reported to correlate with the serum cholesterol concentration as well as the serum Hp concentration. In this study, we developed a duplex dual-labeled fluorescence probe-based method to simultaneously determine the rs2000999 G > A polymorphism by melting curve genotyping and the zygosity of HP^del by endpoint genotyping. This method was then validated by using the genomic DNA from 94 Japanese subjects for whom genotypes of rs2000999 and HP^del zygosity had already been determined. The results obtained with this method were in perfect agreement with the previous ones. Thus, the present method enables us to estimate these two polymorphisms in relatively large-scale groups of subjects, especially in Asian populations where the HP^del is distributed.     

CT检查参数对腰椎管狭窄症的诊断价值及与疗效、腰椎功能改善的相关性分析

选取我院60例腰椎管狭窄症(LSS)患者作为研究组,同期健康者60例作为对照组,探究CT检查参数对LSS的诊断价值及与疗效、腰椎功能改善的相关性。结果显示,研究组椎管面积、硬膜囊面积、椎管矢径、椎管横径、侧隐窝矢径、侧隐窝角小于对照组(P<0.05);CT各参数联合诊断LSS的AUC值大于任一参数单独诊断;疗效优良患者术后3个月椎管面积、硬膜囊面积、椎管矢径、侧隐窝矢径、侧隐窝角大于治疗前及非优良患者(P<0.05);经偏相关性分析发现,CT检查参数与疗效显著相关(P<0.05)。说明LSS疗效、腰椎功能改善情况与椎管面积、硬膜囊面积、椎管矢径等关系密切,CT检查对指导临床完善手术方案有重要意义。     

基于曲线问题情境的信息化教学尝试*——以“沉淀溶解平衡”为例

基于高中生对实验曲线理解困难的现状,为挖掘实验曲线的教学价值,以沉淀溶解平衡为例,结合课堂演示实验和教学软件,设计了“宏观微观符号曲线”多重表征教学为一体的实验探究课。根据沉淀溶解平衡实验证据,绘制实验曲线,构建微观模型和图像,从而培养学生的证据收集与应用意识,提高学生对曲线的分析和理解能力,领会各种变化曲线的来源。在曲线理解的基础上建立“溶解平衡转化”思维模型,以此为开展“曲线融入式”的问题引导型实验教学提供参考案例。     

DOUBLESLICING: a non-iterative single profile multi-exponential curve resolution procedure. Application to time-domain NMR transverse relaxation data

A new non-iterative curve resolution technique for resolving single decay profiles is proposed. The new technique, called DoubleSlicing, is based on the Decra (Direct Exponential Curve Resolution Algorithm) principle. While the original Decra was designed to resolve several decay curves simultaneously and thus fitting common pure exponentials, DoubleSlicing can resolve single decay profiles by a simple double data transformation followed by an analytical and unique three-way decomposition. The new approach is successfully demonstrated on experimental NMR CPMG relaxation data, measured on combinations of unmixed paramagnetic CuSO(4) solutions. Decay signals of the water component were acquired following an innovative experimental design that ensured no interaction between the components present in each sample under observation. DoubleSlicing proved to be accurate in estimating relaxation times differing in one order of magnitude (range: 19.6-159.4ms). Its performance was comparable to discrete exponential fitting with the advantage of being much faster - in terms of computation time, DoubleSlicing outperformed exponential fitting by a factor of four.     

Modelling photovoltaic modules with neural networks using angle of incidence and clearness index

A neural network for modelling photovoltaic modules using angle of incidence and clearness index is proposed. Engineers require methods to estimate the output of a photovoltaic plant depending on meteorological conditions. Therefore, models for the grid inverter and the generator must be provided, and their outputs must be combined. The connection between both models is related to the maximum power point of the generator and how it is tracked by the inverter. That maximum power point under specific conditions of irradiance and module temperature is determined by the I–V curve of the module, which must be simulated under those conditions. Algebraic procedures were used to simulate the I–V curve. Recently, neural networks have been used for the same purpose. Previous methods only take into account the irradiance and the module temperature. The model proposed is based on neural networks, and it uses not only the irradiance and the module temperature but also the angle of incidence and the instantaneous clearness index as additional inputs. The normalised clearness replaces the standard clearness index because it allows the removal of the hourly trend found in this last index. This new model improves the results obtained with previous ones as it can distinguish amongst samples with the same solar irradiance and temperature values but with different angle of incidence and instantaneous clearness index. Results show that this model could be used to improve the accuracy of the tools used to forecast the output of photovoltaic plants. Copyright © 2014 John Wiley & Sons, Ltd.     

Optical asymmetric watermarking using modified wavelet fusion and diffractive imaging

In most of the existing image encryption algorithms the generated keys are in the form of a noise like distribution with a uniform distributed histogram. However, the noise like distribution is an apparent sign indicating the presence of the keys. If the keys are to be transferred through some communication channels, then this may lead to a security problem. This is because; the noise like features may easily catch people׳s attention and bring more attacks. To address this problem it is required to transfer the keys to some other meaningful images to disguise the attackers. The watermarking schemes are complementary to image encryption schemes. In most of the iterative encryption schemes, support constraints play an important role of the keys in order to decrypt the meaningful data. In this article, we have transferred the support constraints which are generated by axial translation of CCD camera using amplitude-, and phase- truncation approach, into different meaningful images. This has been done by developing modified fusion technique in wavelet transform domain. The second issue is, in case, the meaningful images are caught by the attacker then how to solve the copyright protection. To resolve this issue, watermark detection plays a crucial role. For this purpose, it is necessary to recover the original image using the retrieved watermarks/support constraints. To address this issue, four asymmetric keys have been generated corresponding to each watermarked image to retrieve the watermarks. For decryption, an iterative phase retrieval algorithm is applied to extract the plain-texts from corresponding retrieved watermarks.