Multivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore Fingerprints

Biomolecular recognition underlying drug-target interactions is determined by both binding affinity and specificity. Whilst, quantification of binding efficacy is possible, determining specificity remains a challenge, as it requires affinity data for multiple targets with the same ligand dataset. Thus, understanding the interaction space by mapping the target space to model its complementary chemical space through computational techniques are desirable. In this study, active site architecture of FabD drug target in two apicomplexan parasites viz. Plasmodium falciparum (PfFabD) and Toxoplasma gondii (TgFabD) is explored, followed by consensus docking calculations and identification of fifteen best hit compounds, most of which are found to be derivatives of natural products. Subsequently, machine learning techniques were applied on molecular descriptors of six FabD homologs and sixty ligands to induce distinct multivariate partial-least square models. The biological space of FabD mapped by the various chemical entities explain their interaction space in general. It also highlights the selective variations in FabD of apicomplexan parasites with that of the host. Furthermore, chemometric models revealed the principal chemical scaffolds in PfFabD and TgFabD as pyrrolidines and imidazoles, respectively, which render target specificity and improve binding affinity in combination with other functional descriptors conducive for the design and optimization of the leads.

Timing Calculations for a General N-Level Dodecagonal Space Vector Structure Using Only Reference Phase Voltages

Multilevel inverters with dodecagonal (12-sided polygon) voltage space vector (SV) structures have advantages like extension of linear modulation range, elimination of fifth and seventh harmonics in phase voltages and currents for the full modulation range including extreme 12-step operation, reduced device voltage ratings, lesser dv/dt stresses on devices and motor phase windings resulting in lower EMI/EMC problems, and lower switching frequency-making it more suitable for high-power drive applications. This paper proposes a simple method to obtain pulsewidth modulation (PWM) timings for a dodecagonal voltage SV structure using only sampled reference voltages. In addition to this, a carrier-based method for obtaining the PWM timings for a general N-level dodecagonal structure is proposed in this paper for the first time. The algorithm outputs the triangle information and the PWM timing values which can be set as the compare values for any carrier-based hardware PWM module to obtain SV PWM like switching sequences. The proposed method eliminates the need for angle estimation, computation of modulation indices, and iterative search algorithms that are typical in multilevel dodecagonal SV systems. The proposed PWM scheme was implemented on a five-level dodecagonal SV structure. Exhaustive simulation and experimental results for steady-state and transient conditions are presented to validate the proposed method.

Space-Vector-Based Hybrid PWM Technique to Reduce Peak-to-Peak Torque Ripple in Induction Motor Drives

Constant-volts-per-hertz induction motor drives and vector-controlled induction motor drives utilize pulsewidth modulation (PWM) to control the voltage applied on the motor. The method of PWM influences the pulsations in the torque developed by the motor. A space-vector-based approach to PWM facilitates special switching sequences involving the division of active state time. This paper proposes a space-vector-based hybrid PWM technique, which is a combination of the conventional and special switching sequences. The proposed hybrid PWM technique results in a lower peak-to-peak torque ripple than conventional space vector PWM(CSVPWM) at high speeds of an induction motor drive. Furthermore, the magnitude of the dominant torque harmonic due to the proposed hybrid PWM is significantly lower than that due to CSVPWM at high speeds of the drive. Experimental results from a 3.75-kW sensorless vector-controlled induction motor drive under various load conditions are presented to support analytical and simulation results.

两层流体热毛细对流空间实验研究=Space Experiments of Thermo Capillary Convection in Two-liquid Layers

1999年,在我国实践5号卫星上完成了两层流体空间实验,实验研究两层不相混合流体的纯Marangoni对流（温度梯度与界面垂直）与热毛细对流（温度梯度方向与流体界面平行）.前者存在发生Marangoni对流的最小临界温差值△Tc,低于该值流体系统处于静止状态;后者中只要存在沿界面的温度梯度便会产生热毛细对流.空间实验采用石蜡和氟化液两层流体新体系,实现了平整的液-液交界面,并从卫星上传回上万幅数字图像.通过多幅图像叠加处理得到了定量的流速场.数值模拟计算分析了相应工况时对流流动的速度场,两者的流场结构和速度大小基本一致,实验验证了理论模型.

An evaluation of space time cube representation of spatiotemporal patterns.

Space time cube representation is an information visualization technique where spatiotemporal data points are mapped into a cube. Information visualization researchers have previously argued that space time cube representation is beneficial in revealing complex spatiotemporal patterns in a data set to users. The argument is based on the fact that both time and spatial information are displayed simultaneously to users, an effect difficult to achieve in other representations. However, to our knowledge the actual usefulness of space time cube representation in conveying complex spatiotemporal patterns to users has not been empirically validated. To fill this gap, we report on a between-subjects experiment comparing novice users' error rates and response times when answering a set of questions using either space time cube or a baseline 2D representation. For some simple questions, the error rates were lower when using the baseline representation. For complex questions where the participants needed an overall understanding of the spatiotemporal structure of the data set, the space time cube representation resulted in on average twice as fast response times with no difference in error rates compared to the baseline. These results provide an empirical foundation for the hypothesis that space time cube representation benefits users analyzing complex spatiotemporal patterns.

The Trade-offs with Space Time Cube Representation of Spatiotemporal Patterns

Space time cube representation is an information visualization technique where spatiotemporal data points are mapped into a cube. Fast and correct analysis of such information is important in for instance geospatial and social visualization applications. Information visualization researchers have previously argued that space time cube representation is beneficial in revealing complex spatiotemporal patterns in a dataset to users. The argument is based on the fact that both time and spatial information are displayed simultaneously to users, an effect difficult to achieve in other representations. However, to our knowledge the actual usefulness of space time cube representation in conveying complex spatiotemporal patterns to users has not been empirically validated. To fill this gap we report on a between-subjects experiment comparing novice users error rates and response times when answering a set of questions using either space time cube or a baseline 2D representation. For some simple questions the error rates were lower when using the baseline representation. For complex questions where the participants needed an overall understanding of the spatiotemporal structure of the dataset, the space time cube representation resulted in on average twice as fast response times with no difference in error rates compared to the baseline. These results provide an empirical foundation for the hypothesis that space time cube representation benefits users when analyzing complex spatiotemporal patterns.

Space experimental device on Marangoni drop migrations of large Reynolds numbers

The space experimental device for testing the Marangoni drop migrations has been discussed in the present paper. The experiment is one of the spaceship projects of China. In comparison with similar devices, it has the ability of completing all the scientific experiments by both auto controlling and telescience methods. It not only can perform drop migration experiments of large Reynolds numbers but also has an equi-thick interferential system.

Transient natural ventilation of a space with localised heating

The natural ventilation of a well-mixed, pre-heated room with a point source of heating, and openings at the base and roof is investigated. The transient draining associated with the room being warmer than the exterior combined with the convective ow produced by the point source of heat leads to a fascinating series of transient ow regimes as the system evolves to the two-layer steady-state regime described by Linden, Lane-Ser_ and Smeed [1]. As the room begins to ventilate, a turbulent plume rises from the point source of heat to the ceiling, and typically forms a deepening layer of hot air. However, with a weak heat source, then at some point the ascending plume will intrude beneath the layer of original uid. Otherwise, the ascending plume always reaches the top of the room as the system evolves to a steady state. We develop a simpli_ed model of the transient evolution and test this with some new laboratory experiments. We conclude with a discussion of the implications of our results for real buildings.

Microgravity experiments of two-phase flow patterns aboard Mir Space Station

A first experimental study on two-phase how patterns at a long-term, steady microgravity condition was conducted on board the Russian Space Station "MIR" in August 1999. Carbogal and air are used as the liquid and the gas phase, respectively. Bubble, slug, slug-annular transitional, and annular hows are observed. A new region of annular how with lower liquid superficial velocity is discovered, and the region of the slug-annular transitional flow is wider than that observed by experiments on board the parabolic aircraft. The main patterns are bubble, slug-annular transitional and annular flows based on the experiments on board MIR space station. Some influences on the two-phase how patterns in the present experiments are discussed.

Reconfigurable free-space optical switching technologies for storage area networks

Reconfigurable shutter-based free-space optical switching technologies using fiber ribbon and multiple wavelengths per fiber for Storage Area Networks (SANs) application are presented and demonstrated. ©2009 SPIE-OSA-IEEE.

Reconfigurable free-space optical switching technologies for storage area networks

Reconfigurable shutter-based free-space optical switching technologies using fiber ribbon and multiple wavelengths per fiber for Storage Area Networks (SANs) application are presented and demonstrated. ©2009 Optical Society of America.