Molecular Mechanics Simulation of Recognition Identity of tRNA~(His/GUG)

本文选用经过实验验证的碱基序列 ,用简化的方式 ,构建了被水分子和镁离子修饰的核酸序列的分子模型 ,应用分子力学模拟方法对序列进行能量优化 ,对优化后序列的构象参数、成键状况和能量数据等进行了分析。对tRNAHHis GUG的识别特性作了初步的探索 ,得到了和实验结果相近的结论。此外 ,还从能力学的角度讨论了溶剂 -溶质 -溶剂相互作用形成的网状氢键网络对核酸结构稳定性的影响 ,探讨了非Crick_WatsonGU、UU配对的能力学特征并存在于被水分子和镁离子修饰的核酸序列中的GU、UU配对情况。

Parallel implementation of Multilevel BDDC

In application of the Balancing Domain Decomposition by Constraints (BDDC) to a case with many substructures, solving the coarse problem exactly becomes the bottleneck which spoils scalability of the solver. However, it is straightforward for BDDC to substitute the exact solution of the coarse problem by another step of BDDC method with subdomains playing the role of elements. In this way, the algorithm of three-level BDDC method is obtained. If this approach is applied recursively, multilevel BDDC method is derived. We present a detailed description of a recently developed parallel implementation of this algorithm. The implementation is applied to an engineering problem of linear elasticity and a benchmark problem of Stokes flow in a cavity. Results by the multilevel approach are compared to those by the standard (two-level) BDDC method.

Comparative studies on parallel and antiparallel duplex and triplex DNA

Parallel strand models for base sequences d(A)(10). d(T)(10), d(AT)(5) . d(TA)(5), d(G(5)C(5)). d(C(5)G(5)), d(GC)(5) . d(CG)(5) and d(CTATAGGGAT). d(GATATCCCTA), where reverse Watson-Crick A-T pairing with two H-bonds and reverse Watson-Crick G-C pairing with one H-bond or with two H-bonds were adopted, and three models of d(T)(14). d(A)(14). d(T)(14) triple helix with different strand orientations were built up by molecular architecture and energy minimization. Comparisons of parallel duplex models with their corresponding B-DNA models and comparisons among the three triple helices showed: (i) conformational energies of parallel AT duplex models were a little lower, while for GC duplex models they were about 8% higher than that of their corresponding B-DNA models; (ii) the energy differences between parallel and B-type duplex models and among the three triple helices arose mainly from base stacking energies, especially for GC base pairing; (iii) the parallel duplexes with one H-bond G-C pairs were less stable than those with two H-bonds G-C pairs. The present paper includes a brief discussion about the effect of base stacking and base sequences on DNA conformations. (C) 1997 Academic Press Limited.

Dual-mode thin film bulk acoustic wave resonators for parallel sensing of temperature and mass loading.

Thin film bulk acoustic wave resonator (FBAR) devices supporting simultaneously multiple resonance modes have been designed for gravimetric sensing. The mechanism for dual-mode generation within a single device has been discussed, and theoretical calculations based on finite element analysis allowed the fabrication of FBARs whose resonance modes have opposite reactions to temperature changes; one of the modes exhibiting a positive frequency shift for a rise of temperature whilst the other mode exhibits a negative shift. Both modes exhibit negative frequency shift for a mass load and hence by monitoring simultaneously both modes it is possible to distinguish whether a change in the resonance frequency is due to a mass load or temperature variation (or a combination of both), avoiding false positive/negative responses in gravimetric sensing without the need of additional reference devices or complex electronics.

Dual-mode thin film bulk acoustic wave resonators for parallel sensing of temperature and mass loading

Thin film bulk acoustic wave resonator (FBAR) devices supporting simultaneously multiple resonance modes have been designed for gravimetric sensing. The mechanism for dual-mode generation within a single device has been discussed, and theoretical calculations based on finite element analysis allowed the fabrication of FBARs whose resonance modes have opposite reactions to temperature changes; one of the modes exhibiting a positive frequency shift for a rise of temperature whilst the other mode exhibits a negative shift. Both modes exhibit negative frequency shift for a mass load and hence by monitoring simultaneously both modes it is possible to distinguish whether a change in the resonance frequency is due to a mass load or temperature variation (or a combination of both), avoiding false positive/negative responses in gravimetric sensing without the need of additional reference devices or complex electronics. © 2012 Elsevier B.V.

Superconducting fault current limiter design using parallel-connected YBCO thin films

Superconducting Fault Current Limiters (SFCLs) are able to reduce fault currents to an acceptable value, reducing potential mechanical and thermal damage to power system apparatus and allowing more flexibility in power system design and operation. The device can also help avoid replacing circuit breakers whose capacity has been exceeded. Due to limitations in current YBCO thin film manufacturing processes, it is not easy to obtain one large thin film that satisfies the specifications for high voltage and large current applications. The combination of standardized thin films has merit to reduce costs and maintain device quality, and it is necessary to connect these thin films in different series and parallel configurations in order to meet these specifications. In this paper, the design of a resistive type SFCL using parallel-connected YBCO thin films is discussed, including the role of a parallel resistor and the influence of individual thin film characteristics, based on both theory and experimental results. © 2009 IEEE.

Characterizing the mechanics of cultured cell monolayers.

One-cell-thick monolayers are the simplest tissues in multicellular organisms, yet they fulfill critical roles in development and normal physiology. In early development, embryonic morphogenesis results largely from monolayer rearrangement and deformation due to internally generated forces. Later, monolayers act as physical barriers separating the internal environment from the exterior and must withstand externally applied forces. Though resisting and generating mechanical forces is an essential part of monolayer function, simple experimental methods to characterize monolayer mechanical properties are lacking. Here, we describe a system for tensile testing of freely suspended cultured monolayers that enables the examination of their mechanical behavior at multi-, uni-, and subcellular scales. Using this system, we provide measurements of monolayer elasticity and show that this is two orders of magnitude larger than the elasticity of their isolated cellular components. Monolayers could withstand more than a doubling in length before failing through rupture of intercellular junctions. Measurement of stress at fracture enabled a first estimation of the average force needed to separate cells within truly mature monolayers, approximately ninefold larger than measured in pairs of isolated cells. As in single cells, monolayer mechanical properties were strongly dependent on the integrity of the actin cytoskeleton, myosin, and intercellular adhesions interfacing adjacent cells. High magnification imaging revealed that keratin filaments became progressively stretched during extension, suggesting they participate in monolayer mechanics. This multiscale study of monolayer response to deformation enabled by our device provides the first quantitative investigation of the link between monolayer biology and mechanics.

Series-parallel six-element synthesis of biquadratic impedances

The object of this paper is to give a complete treatment of the realizability of positive-real biquadratic impedance functions by six-element series-parallel networks comprising resistors, capacitors, and inductors. This question was studied but not fully resolved in the classical electrical circuit literature. Renewed interest in this question arises in the synthesis of passive mechanical impedances. Recent work by the authors has introduced the concept of a regular positive-real functions. It was shown that five-element networks are capable of realizing all regular and some (but not all) nonregular biquadratic positive-real functions. Accordingly, the focus of this paper is on the realizability of nonregular biquadratics. It will be shown that the only six-element series-parallel networks which are capable of realizing nonregular biquadratic impedances are those with three reactive elements or four reactive elements. We identify a set of networks that can realize all the nonregular biquadratic functions for each of the two cases. The realizability conditions for the networks are expressed in terms of a canonical form for biquadratics. The nonregular realizable region for each of the networks is explicitly characterized. © 2004-2012 IEEE.