Quantum Effects on Hydrogen Isotopes Adsorption in Nanopores

We have investigated the applicability of simulations and theoretical techniques for exploring the selectivities of hydrogen isotopes. We have simulated the adsorption isotherms of H₂ in an idealized carbon slit pore at 77 K by using the grand canonical Monte Carlo simulations with the Feynman-Hibbs effective potential (FH-GCMC) and the rigorous path integral method (PI-GCMC), and we obtained good agreement between the isotherms from both simulations. This suggests that FH-GCMC, which uses the approximative Feynman-Hibbs treatment, is as useful as PI-GCMC for exploring H₂ adsorption at 77 K. Moreover, we show that the ideal adsorption solution theory (IAST) can predict the selectivity of D₂ over H₂ in the interstices of single-wall carbon nanotube (SWNT) bundles at 77 K (below 0.1 MPa) very well by comparing the obtained results with the mixture adsorption FH-GCMC simulations. This indicates that IAST is also applicable to the estimation of the selectivity of D₂ over H₂ at moderate pressures and at 77 K from experimental single-component adsorption isotherms. We also demonstrate that the FH-GCMC simulation can reproduce the experimental adsorption isotherms of H₂ and D₂ in aluminophosphate AlPO₄-5 at 77 K. Finally, we analyze the selectivity of D₂ over H₂ by IAST with the experimental single-component adsorption isotherms of H₂ and D₂ at 77 K for a variety of adsorbents: AlPO₄-5, activated carbon fibers (ACFs), HiPco SWNT, and SWNHs. The selectivities predicted by the experimental adsorption data based on the results from the FH-GCMC simulations are presented and discussed.     

Colloidal gold submonolayer-coated thin-film glass plates for waveguide-coupled surface plasmon resonance sensors

A novel optical sensor based on spectroscopic measurement of the plasmon absorption of a colloidal gold submonolayer immobilized upon a planar waveguide has been developed for label-free detection of biomolecular interactions at the sensor's surface. We fabricated the sensor by locally modifying a 50-microm-thick glass plate with hemoglobin (Hb) and then self-assembling gold colloids from the aqueous solution onto the Hb-modified area of the glass plate. Polychromatic light from a xenon-arc lamp was launched into the thin-film glass plate by use of a broadband fiber-coupling method. With the use of a CCD detector to monitor the light beam emitted from an end face of the glass plate, the plasmon absorption spectrum of the colloidal gold submonolayer was determined to depend on the polarization states of the guided light and to change with the refractive index of the medium in contact with the colloids. In addition to simplicity of fabrication and the ease of use, the sensor yields a larger absorbance sensitivity than the normal transmission measurement.     

Microwave-assisted steam distillation for simple determination of polychlorinated biphenyls and organochlorine pesticides in sediments

A novel sample extraction technique for polychlorinated biphenyls (PCBs) and organochlorine pesticides (OCPs) analysis using microwave-heating device is developed. In this study, microwave-assisted extraction (MAE) and steam distillation techniques were combined. Desorption of the anatytes from solid matrixes was accelerated with water vapor which was generated by microwave irradiation. A sample holder in a commercial microwave extraction cell kept the sample from direct contact with the organic solvent for analytes trapping during the treatment process. Therefore, relatively clean extracts were obtained with small amount of solvents. Without any cleanup steps, the obtained extract could be analyzed with gas chromatograph/mass spectrometers (GC/MS). Six PCB congeners (PCB15, 28, 70, 101, 180, 194, 209) and three OCPs (gamma-HCH, 4,4'-DDE, 4,4'-DDD) in two marine sediment samples (a sediment collected from a bay of Kyusyu Island, Japan, and a certified reference material NIST SRM1944) were analyzed by using this microwave-assisted steam distillation (MASD) technique and another extraction method (exhaustive steam distillation, MAE, and Soxhlet extraction); and comparisons of the results are shown in this report. Although recovery yields of highly chlorinated biphenyls (PCB180, 194, 209) and relatively polar OCPs (gamma-HCH, 4,4'-DDD) were low (30-60%) compared with other analytes (PCB15, 28, 70, 101, 4,4'-DDE; recovery, 80-100%), use of isotope labeled internal standards for the MASD technique gave comparable results with the values obtained by other extraction methods and the certified values in the samples.     

Hierarchical system identification of states and parameters in interconnected power systems†

This paper presents an application of hierarchical identification procedures of the previous paper to the identification of interconnected power system states and parameters from input—output observed data. A three-area interconnected power system model is used to demonstrate the decomposition of the original system based on its particular characteristics and the implementation of hierarchical algorithms for system identification. The adaptivity of these procedures to structural changes are also illustrated. Numerical results are obtained by conducting a digital simulation of the three-area system and using the hierarchical identification and coordination algorithms to estimate the states and unknown system parameters. Computational aspects of the hierarchical system identification solutions are discussed.     

Linear optimal stochastic control using instantaneous output feedback‡

The problem of determining the linear feedback control of the instantaneous system output which minimizes a quadratic performance measure for a linear system with state and control-dependent noise is solved in this paper. Both the finite and infinite terminal time versions of this problem are treated. For the latter case, a sufficient condition for the existence of an optimal control is obtained. For the finite terminal time problem, it is shown that a two-point boundary value problem must be solved to realize the optimal control. For the infinite terminal time case, two non-linear matrix equations must be solved to realize the optimal control. Some discussion on the numerical methods used by the author to solve these equations is included in the paper.     

A Hydrogen Management Method in Residential Distributed Generation Systems with Photovoltaic Cells and Hydrogen‐Storage Type Fuel Cells

Recently, renewable energy has been attracting attention as a result of global warming and the depletion of fossil fuels. Photovoltaic (PV) systems have spread rapidly around the world because they generate electric power quietly and can be installed in many places. The output power generated in a PV system fluctuates with changes in solar irradiance and panel temperature. The reverse flow of surplus power in output spikes may have a negative effect on electric power quality, such as on the frequency and voltage in a power system. A residential distributed generation (DG) system composed of a fuel cell (FC) unit, an electrolyzer (EL) unit, and a PV system has been proposed in order to resolve these problems. In order to operate this system without interruption, the hydrogen storage volume must be managed. This paper proposes a novel hydrogen management method for a residential DG system with PV cells and hydrogen‐storage type FCs. The hydrogen storage volume is maintained at the preset frequency by operating the FC unit and the EL unit. Models of the PV, FC, and EL were constructed for a simulation. In the simulation, we showed that the proposed management method is viable for a residential DG system with PV cells and hydrogen‐storage FCs.     

Preparation of poly(thiophene-alt-pyrrole) bearing chiral LC group

ABSTRACT

Preparation of poly(thiophene-alt-pyrrole bearing mesogen) was carried out with Migita–Kosugi–Stille coupling type polycondensation with an aid of Pd(0) complex catalyst. The resultant polymer shows lyotropic liquid crystallinity with good film-forming property. The smectic fan-shaped texture is maintained after completion of evaporation of solvent from the polymer solution. The cast film having liquid crystal (LC) order shows light emission function upon irradiation of excitation light at 460 nm. The polymer shows LC domain emission. Mechanical orientation allows to yield LC domain aligned film with band structure. Chiral mesogenic side chain induces π-conjugated main chain helicity from distance in molecular level.     

Synthesis and Preliminary Evaluation of 11C-Labeled VU0467485/AZ13713945 and Its Analogues for Imaging Muscarinic Acetylcholine Receptor Subtype 4

Muscarinic acetylcholine receptors (mAChRs) have five distinct subunits (M₁–M₅) and are involved in the action of the neurotransmitter acetylcholine in the central and peripheral nervous system. Attributed to the promising clinical efficacy of xanomeline, an M₁/M₄-preferring agonist, in patients of schizophrenia and Alzheimer's disease, M₁- or M₄-selective mAChR modulators have been developed that target the topographically distinct allosteric sites. Herein we report the synthesis and preliminary evaluation of ¹¹C-labeled positron emission tomography (PET) ligands based on a validated M₄R positive allosteric modulator VU0467485 (AZ13713945) to facilitate drug discovery. [¹¹C]VU0467485 and two other ligands were prepared in high radiochemical yields (>30 %, decay-corrected) with high radiochemical purity (>99 %) and high molar activity (>74 GBq μmol⁻¹). In vitro autoradiography studies indicated that these three ligands possess moderate-to-high in vitro specific binding to M₄R. Nevertheless, further physiochemical property optimization is necessary to overcome the challenges associated with limited brain permeability.     

The effects of di-D-fructofuranose-1,2':2,3'-dianhydride (DFA III) administration on human intestinal microbiota

Di-D-fructofuranose-1,2':2,3'-dianhydride (DFA III) was shown to enhance Ca absorption in rat and human intestine. The effects of DFA III administration (9 g per day for 4 weeks that corresponded to 3-fold the optimal dosage of DFA III) on human intestinal microbiota were studied using denaturing gradient gel electrophoresis (DGGE). The major groups of human intestinal microbiota reported previously: the Bacteroides, the Clostridium coccoides group (Clostridium cluster XIVa), the Clostridium leptum group (Clostridium cluster IV), and the Bifidobacterium group were detected. The similarity of 30 DGGE profiles based on the V3 region (before and after administration to the 15 subjects) of the 16S rDNA were calculated using Pearson's correlation based on numbers, positions and intensity of bands, and then a dendrogram of DGGE profiles was constructed by the unweighted pair group method using arithmetic average (UPGMA) clustering method. By these analyses, no difference in DGGE profiles after DFA III administration was observed in healthy subjects, while two subjects with chronic constipation showed different profiles, namely on numbers, positions and the intensity of some bands. Their stools were softer and stool frequencies increased and they obtained relief from constipation.