气相色谱仪灵敏度及检测限的测量不确定度评定

按JJF1059-1999《测量不确定度评定与表示》和JJG700-1999《气相色谱仪检定规程》评定了气相色谱仪检测器灵敏度或检测限测量的不确定度。给出了评定灵敏度及检测限的测量不确定度数学模型,并对各不确定度分量进行了评定。浓度型检测器灵敏度或检测限的相对扩展不确定度均为4.4%(k=2),质量型检测器检测限的相对扩展不确定度为3.8%(k=2)。依据JJF1033-2008《计量标准考核规范》采用比对法验证了灵敏度和检测限测量不确定度的合理性。     

米托蒽醌与B-DNA相互作用的分子模拟

针对嵌插型抗癌药物米托蒽醌(mitoxantrone,MTX)同B-DNA间作用模式的争议,采用分子模拟方法研究了米托蒽醌分子与B-DNA分子的相互作用.结果表明:米托蒽醌分子插入到B-DNA中有大小沟选择性及碱基对特异性,更倾向从小沟方向插入到DNA分子中;对5'-CG碱基对有特异性识别.通过详细能量项的分析,揭示了米托蒽醌插入DNA分子的驱动力及对碱基的特异性识别作用主要是空间相互作用特别是静电相互作用.在最佳作用位点复合物的构象分析则表明蒽醌环只有一部分插入碱基对中,侧链在小沟中延磷酸基骨架以3'-5'方向伸展,并通过静电作用进一步增强米托蒽醌与B-DNA的结合.     

顶空进样GC-MS结合保留指数分析墨旱莲挥发性成分

采用顶空-气相色谱-质谱法(HS-GC-MS)对墨旱莲的挥发性成分进行检测,并结合保留指数对其分析鉴定。结果检测到60个组分,鉴定出33个可能的组分,占挥发性成分的70.0%。该研究为墨旱莲药材挥发性成分的指纹图谱研究奠定了基础。     

Construction of a trigonal bipyramidal cage-based metal-organic framework with hydrophilic pore surface via flexible tetrapodal ligands

A pcu network can be ordered through trigonal bipyramidal nanocages as secondary building blocks, which have the striking feature of hydrophilic affinity to the polar molecules and π-π interactions for aromatic molecules.     

A three-field,bi-domain based approach to the strongly coupled electromechanics of the heart

We propose a novel, unconditionally stable and fully coupled finite element method for the bidomain based approach to cardiac electromechanics. To this end, the transmembrane potential, the extracellular potential, and the displacement field are treated as independent variables such that the already coupled electrophysiology problem in the bidomain setting is further extended to the electromechanical coupling. In this multifield problem, the intrinsic coupling arises from both excitation-induced contraction of cardiac cells and the deformation-induced generation of intra-cellular currents. The respective bidomain reaction-diffusion and the momentum balance equations are recast into the corresponding weak forms through a conventional isoparametric Galerkin approach. The resultant set of non-linear residual equations is consistently linearized. The monolithic scheme is employed to avoid stability issues that may arise due to the strong coupling between excitation and deformation. The performance of the put forward framework is further assessed through three-dimensional representative electromechanical initial-boundary value problems. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Carboxymethylchitosan covalently modified capillary column for open tubular capillary electrochromatography of basic proteins and opium alkaloids

A novel open tubular (OT) column covalently modified with hydrophilic polysaccharide, carboxymethylchitosan (CMC) as stationary phase has been developed, and employed for the separations of basic proteins and opium alkaloids by capillary electrochromatography (CEC). With the procedures including the silanization of 3-aminopropyltrimethoxysilane (APTS) and the combination of glutaraldehyde with amino-silylated silica surface and CMC, CMC was covalently bonded on the capillary inner wall and exhibited a remarkable tolerance and chemical stability against 0.1 mol/L HCl, 0.1 mol/L NaOH or some organic solvents. By varying the pH values of running buffer, a cathodic or anodic EOF could be gained in CMC modified column. With anodic EOF mode (pH<4.3), favorable separations of basic proteins (trypsin, ribonuclease A, lysozyme and cytochrome C) were successfully achieved with high column efficiencies ranging from 97,000 to 182,000 plates/m, and the undesired adsorptions of basic proteins on the inter-wall of capillary could be avoided. Good repeatability was gained with RSD of the migration time less than 1.3% for run-to-run (n=5) and less than 3.2% for day-to-day (n=3), RSD of peak area was less than 5.6% for run-to-run (n=5) and less than 8.8% for day-to-day (n=3). With cathodic EOF mode (pH>4.3), four opium alkaloids were also baseline separated in phosphate buffer (50 mmol/L, pH 6.0) with column efficiencies ranging from 92,000 to 132,000 plates/m. CMC-bonded OT capillary column might be used as an alternative medium for the further analysis of basic proteins and alkaline analytes.     

Synchronization of impulsively coupled complex systems with delay

This paper investigates the synchronization of complex systems with delay that are impulsively coupled at discrete instants only. Based on the comparison theorem of impulsive differential system, a distributed impulsive control scheme is proposed to achieve the synchronization for systems with delay. In the control strategy, the influence of all nodes to network synchronization relies on its weight. The proposed control scheme is applied to the chaotic delayed Hopfield neural networks and numerical simulations are presented to demonstrate the effectiveness of the proposed scheme.     

Laserlike vibrational instability in rectifying molecular conductors

We study the damping of molecular vibrations due to electron-hole pair excitations in donor-acceptor (D-A) type molecular rectifiers. At finite voltage additional nonequilibrium electron-hole pair excitations involving both electrodes become possible, and contribute to the stimulated emission and absorption of phonons. We point out a generic mechanism for D-A molecules, where the stimulated emission can dominate beyond a certain voltage due to the inverted position of the D and A quantum resonances. This leads to current-driven amplification (negative damping) of the phonons similar to laser action. We investigate the effect in realistic molecular rectifier structures using first-principles calculations.     

Critical gravity in four dimensions

We study four-dimensional gravity theories that are rendered renormalizable by the inclusion of curvature-squared terms to the usual Einstein action with a cosmological constant. By choosing the parameters appropriately, the massive scalar mode can be eliminated and the massive spin-2 mode can become massless. This "critical" theory may be viewed as a four-dimensional analogue of chiral topologically massive gravity, or of critical "new massive gravity" with a cosmological constant, in three dimensions. We find that the on-shell energy for the remaining massless gravitons vanishes. There are also logarithmic spin-2 modes, which have positive energy. The mass and entropy of standard Schwarzschild-type black holes vanish. The critical theory might provide a consistent toy model for quantum gravity in four dimensions.     

聚焦部分相干涡旋光束作用于不同折射率瑞利粒子上的辐射力

 使用聚焦部分相干高斯谢尔涡旋光束,对不同折射率的瑞利粒子的辐射力做了分析,着重研究了相关长度和束腰宽度对辐射力和俘获稳定性的影响。结果表明：相关长度和束腰宽度分别存在临界值,相干长度小于等于其临界值或束腰宽度大于等于其临界值时,可利用其俘获相对折射率大于1的微粒;而在相关长度大于其临界值或束腰宽度小于其临界值时,可利用其俘获相对折射率小于1的微粒。对俘获稳定性的分析表明,需选择适当的相关长度和束腰宽度才能稳定俘获瑞利粒子。