Free energy perturbation study on a Trp-binding mutant (Ser88 ->Cys) of the trp-repressor

The Ser⁸⁸Cys mutant of the trp-repressor showed a lower affinityfor the corepressor than the wild-type repressor [G = 1.7 ±0.3 kcal/mol, Chou and Matthews (1989) J. Biol. Chem., 264,18314–18319].A molecular dynamics/free energy cycle perturbation study wasperformed to understand the origin of the decreased affinity.A value (G = 1.58 ± 0.28 kcal/mol) comparable with theexperimental value was obtained by the simulation. Free energycomponent analysis revealed that destabilization of the vander Waals interaction between Ser⁸⁸ and Trp¹⁰⁹ (corepressor)mainly contributed to the decreased affinity of the mutant.The rotational transition of the hydroxyl (sulfhydryl) groupof Ser⁸⁸ (Cys⁸⁸) during the simulations affected the contributionsof Arg⁸⁴ and water to the free energy change in the aporepressorand those of Arg⁸⁴ and Trp ¹⁰⁹ to that in the holorepressor.However, the contributions from different residues compensatedeach other, and the total free energy changes were almost invariablein the various simulations.     

Reaction of sodium perborate with a chlorinated cyclic hindered amine (TMP-Cl): I. Quantitative evaluation of active oxygen species in fabric bleaching

The reaction of N-chloro-4-hydroxy-2,2,6,6-tetramethylpiperidine (TMP-Cl) with sodium perborate (PB) was investigated with special reference to the generation of singlet oxygen and the possible application to a new oxidative bleaching process. Generation of the singlet oxygen (¹O₂), the hydroxyl radical (HO·) and superoxide anion radical (O₂·⁻) in the PB/TMP-Cl mixed solution was confirmed by the trapping reagent method. From the results of another experiment, in which the bleaching abilities of each active oxygen species were confirmed, the main active oxygen species contributing to the bleaching of purpurogallin, the skeleton of black tea pigment, in the PB/TMP-Cl system was concluded to be¹O₂.     

Hot dip fine Zn and Zn-Al alloy double coating for corrosion resistance at coastal area

A new hot dip Zn-7Al alloy coating was performed on a structural steel by double coating of fine Zn and Zn-7 wt.% Al alloy, to prevent severe corrosion in coastal area. The alloy-coated steels were exposed to seaside, quasi-industrial, and rural districts to compare with conventional Zn coating. Double coating was significantly effective in preventing corrosion, particularly in a seaside. It was estimated from the exposure test for 10 years that the life of the Zn-7Al alloy-coated steel would be almost four times that of the Zn-coated steel in the seaside. A bending test showed that no exfoliation occurred at the interface between the coated alloy and substrate steel. TEM observation revealed that the excellent adhesiveness of the doubly coated fine Zn and Zn-7Al alloy to the steel substrate was due to formation of the interface region consisting of heterogeneous fine phase mixture of zinc, aluminium and iron.     

Gain‐Scheduled Control via Switching of LTI Controllers and State Reset

This paper proposes a synthesis method of gain‐scheduled control systems that switch linear time‐invariant controllers according to hysteresis of the scheduling parameter. Stability and L₂‐gain analysis and synthesis methods for switched systems are applied to the switched gain‐scheduled control synthesis using reset of the controller state, where also the reset law is computed via linear matrix inequalities (LMIs). In addition to optimization of an upper bound of L₂‐gain, we reduce jumps of control input via an auxiliary optimization. Numerical examples are presented to illustrate the switched gain‐scheduled controller.     

Clinical application of single-shot echo-planar diffusion-weighted imaging with compressed SENSE in prostate MRI at 3T: preliminary experience

Magnetic Resonance Materials in Physics, Biology and Medicine - Image quality (IQ) of diffusion-weighted imaging (DWI) with single-shot echo-planar imaging (ssEPI) suffers from low signal-to-noise...     

Threshold for Millimeter-Wave (60 GHz)-Induced Ocular Injury

Journal of Infrared, Millimeter, and Terahertz Waves - Millimeter waves (MMW) absorbed by skin or cornea may induce damage by heat. We have developed a 60 GHz MMW exposure-induced eye...     

Unravel four hairpins!

DNA machines consisting of consecutive hairpins, which we have previously described, have various potential applications in DNA computation. In the present study, a 288-base DNA machine containing four consecutive hairpins was successfully constructed by ligation and PCR. PAGE and fluorescence spectroscopy experiments verified that all four hairpins were successfully opened by four opener oligomers, and that hairpin opening was dependent on the proper openers added in the correct order. Quantitative analysis of the final results by fluorescence spectroscopy indicated that all four hairpins were open in about 1/4 to 1/3 of the DNA machines.     

Group weighted finite transducers

We consider weighted finite transducers over arbitrary groups, that is finite transducers having a counter in which, at any step, a value of the group is stored but no information regarding the content of this counter is available until the computation is finished. The computation is valid if the counter value is the neutral element of the group. We generalize here some results from [8] and [17]. Received: 28 January 2001 / 5 June 2001     

Self-Consistent Quantum Mechanical Monte Carlo MOSFET Device Simulation

We have developed a self-consistent quantum mechanical Monte Carlo device simulator that takes electron transport in quantized states into consideration. Two-dimensional quantized states in MOSFET channels are constructed from one-dimensional solutions of the Schrödinger equation at different positions along the channel, and the Schrödinger and Poisson equations are solved self-consistently in terms of electron concentration and electrostatic potential distribution. The channel electron concentration, velocity and drain currents are calculated with the one particle Monte Carlo approach incorporating the intra-valley acoustic phonon and inter-valley phonon scattering mechanisms. This simulator was applied to a 70 nm n-MOSFET transistor, and we found that current mostly flows through the lowest subband and transport is quasi-ballistic near the source junction. To quantitatively estimate the performance of advanced devices, we have developed an inversion carrier transport simulator based on a full-band model. Our simulation method enables us to evaluate device characteristics and analyze the transport properties of ultra-small MOSFETs.