Optimizing the separation of gaseous enantiomers by simulated moving bed and pressure swing adsorption

The resolution of racemic gas mixtures by simulated moving bed (SMB) and pressure swing adsorption (PSA) is investigated by dynamic simulation and optimization. Enantiomer separation of inhalation anesthetics is important because there is evidence that the purified enantiomers may have different pharmacological properties than the racemate. The model parameters reported in an experimental investigation performed elsewhere are used to study the feasibility of this separation using SMB and PSA configurations. Both processes were modeled in gPROMS^® as systems of differential algebraic equations. Operating conditions are optimized such that the feed throughput and product recovery for each process were maximized subject to equal constraints on the pressures and superficial gas velocities. SMB was found to be capable of resolving racemic feed mixtures with purity and recovery exceeding 99%. On the other hand, PSA was also able to provide a single purified enantiomer with low recovery of about 30% which may limit its application to enantiomer separation. Nevertheless, PSA consumes less desorbent, and achieves higher throughput at the sacrifice of lower recovery.     

Geometrical Excess Entropy Production in Nonequilibrium Quantum Systems

For open systems described by the quantum Markovian master equation, we study a possible extension of the Clausius equality to quasistatic operations between nonequilibrium steady states (NESSs). We investigate the excess heat divided by temperature (i.e., excess entropy production) which is transferred into the system during the operations. We derive a geometrical expression for the excess entropy production, which is analogous to the Berry phase in unitary evolution. Our result implies that in general one cannot define a scalar potential whose difference coincides with the excess entropy production in a thermodynamic process, and that a vector potential plays a crucial role in the thermodynamics for NESSs. In the weakly nonequilibrium regime, we show that the geometrical expression reduces to the extended Clausius equality derived by Saito and Tasaki (J. Stat. Phys. 145:1275, 2011). As an example, we investigate a spinless electron system in quantum dots. We find that one can define a scalar potential when the parameters of only one of the reservoirs are modified in a non-interacting system, but this is no longer the case for an interacting system.     

Effects of spanwise system rotation on turbulent stripes in a plane Poiseuille flow

In the transitional channel flow, the large-scale intermittent structure of localised turbulence, which is called the turbulent stripe pattern, can be found in the form of stripe arrangement. The structure of the turbulent stripe pattern is an oblique laminar–turbulent banded pattern and is inclined with respect to the streamwise direction. We performed direct numerical simulation at a transitional Reynolds number and very low-rotation numbers, and focused on the turbulent stripe pattern in the plane Poiseuille flow subjected to spanwise system rotation. We captured the turbulent stripe pattern in a rotating channel flow and found the augmentation and diminution of the turbulent stripe pattern were affected by the spanwise rotation. The contents of the discussion are the spatial size of the turbulent stripe pattern on the basis of the instantaneous flow fields, the energy spectra, and various statistics relating to the spanwise velocity component that characterise the turbulent stripe pattern. The turbulent stripe pattern was found to contain kinetic energy that was larger in very weakly rotating flows than in the static system. It was also found that the magnitude of the spanwise secondary flow increases, while the quasi-laminar region is wider at a very lowrotation number.     

Evidence of Improvement in Various Impairments by Exercise Interventions in Patients with Knee Osteoarthritis: A Systematic Review and Meta-analysis of Randomized Clinical Trials

Purpose: To investigate improvement in various impairments by exercise interventions in patients with knee osteoarthritis (OA). Methods: We collected data on randomized controlled trials (RCTs) comparing the effects of exercise intervention with those of either nonintervention or psychoeducational intervention in patients with knee OA. Data on pain, stiffness, muscle strength, range of motion, flexibility, maximal oxygen uptake, and position sense were synthesized. The Grading of Recommendations Assessment, Development, and Evaluation system was used to determine the quality of the evidence. Results: Thirty-three RCTs involving 3,192 participants were identified. Meta-analysis provided highquality evidence that exercise intervention improves maximal oxygen uptake, and moderate-quality evidence that exercise intervention also improves pain, stiffness, knee extensor and flexor muscle strength, and position sense. The evidence that exercise intervention improves knee extension and flexion range of motion was deemed as undetermined-quality. Conclusion: In patients with knee OA, improvement in pain, stiffness, muscle strength, maximal oxygen uptake, and position sense with the use of exercise intervention can be expected. Although the quality of evidence of the effect of exercise intervention on range of motion was inconclusive, exercise intervention should be recommended for patients with knee OA to improve various impairments.     

Structural and electronic properties of YH 3 at high pressure – band calculation by the GW approximation

Using the GW calculation for one particle energy of electrons, we studied the pressure dependence of the band gaps in YH ₃ for controversial structures reported in experimental and theoretical studies. For some types of band structures, perturbational treatment taking only diagonal matrix elements of the self-energy into account, which is the most commonly used method in the GW calculation, fails to give band gaps. In those cases, calculations in which the non-diagonal matrix elements of the self-energy are taken into account are needed to get the band gaps. In the fcc-YH ₃, band gap disappears around 5 GPa which is much lower pressure than those reported in experimental studies for the metallization in YH ₃. The band gap by the GW calculation in the C2/m structure, which is theoretically predicted to be most probable up to around 40 GPa, survives to much higher pressures than those predicted by the generalized gradient approximation (GGA), and probably to over 60 GPa. The very recent report of metallization pressure around 70 GPa on the YH ₃ metallization by means of DC conductivity measurements suggests that some structures other than the C 2/m should appear as an intermediate structure before the fcc-YH ₃ will appear by the pressurization.     

High pressure X-ray diffraction and Raman spectroscopic studies of the phase change of D2O ice VII at approximately 11 GPa

High pressure experiments were performed on D₂O ice VII using a diamond anvil cell in a pressure range of 2.0–60 GPa at room temperature. In situ X-ray diffractometry revealed that the structure changed from cubic to a low symmetry phase at approximately 11 GPa, based on the observed splitting of the cubic structure's diffraction lines. Heating treatments were added for the samples to reduce the effect of non-hydrostatic stress. After heating, splitting diffraction lines became sharp and the splitting was clearly retained. Although symmetry and structure of the transformed phase have not been determined, change in volumes vs. pressure was calculated, assuming that the low-symmetry phase had a tetragonal structure. The bulk modulus calculated for the low-symmetry phase was slightly larger than that for the cubic structure. In Raman spectroscopy, the squared vibrational frequencies of ν₁ (A_1g), as a function of pressure, showed a clear change in the slope at 11–13 GPa. The full width at half maxima of the O-D modes decreased with increasing pressure, reaching a minimum at approximately 11 GPa, and increased again above 11 GPa. These results evidently support the existence of phase change at approximately 11 GPa for D₂O ice VII.     

Development of Hybrid-Type Pressure Cell for High-Pressure and High-Field ESR Measurement

A hybrid-type piston-cylinder pressure cell for the electron spin resonance (ESR) measurement has been developed. The cylinder of this pressure cell consists of a NiCrAl inner cylinder and a CuBe outer sleeve, and all inner parts are made of zirconium oxide which has good transmittance to the millimeter and submillimeter waves. We confirmed that the pressure reaches 2.1 GPa. We have also developed a transmission-type high-field ESR system having two different modulation methods for this pressure cell. A test measurement without pressure cell for the two-dimensional orthogonal-dimer spin system of SrCu₂(BO₃)₂ has been done successfully in the wide frequency region. The combination of this electromagnetic wave transmission-type pressure cell and this high-field ESR system is a promising tool for the study of the pressure-induced phase transition of SrCu₂(BO₃)₂.     

Polymer electrolytes based on polycarbonates and their electrochemical and thermal properties

Polycarbonates (4a–d) with various side chain lengths were synthesized by the reaction of 1,4-bis(hydroxyethoxy)benzene derivatives and triphosgene in the presence of pyridine. The polymer electrolytes composed of 4a–d with lithium bis(trifluoromethanesulfonyl)imide (LiN(SO₂CF₃)₂, LiTFSI) were prepared, and their ionic conductivities and thermal and electrochemical properties were investigated. 4d-Based polymer electrolyte showed the highest ionic conductivity values of 1.0?×?10^?4?S/cm at 80 °C and 1.5?×?10^?6?S/cm at 30 °C, respectively, at the [LiTFSI]/[repeating unit] ratio of 1/2. Ionic conductivities of these polycarbonate-based polymer electrolytes showed the tendency of increase with increasing the chain length of oxyethylene moieties as side chains, suggestive of increased steric hindrance by side chains. Unique properties were observed for the 4a(n?=?0)-based polymer electrolyte without an oxyethylene moiety. All of polycarbonate-based polymer electrolytes showed good electrochemical and thermal stabilities as polymer electrolytes for battery application.     

Simulation of a ridge-type semiconductor laser with horizontal coupling of lateral modes

A ridge-type semiconductor laser with horizontal coupling of lateral modes is proposed, and lasing characteristics are simulated. A groove is formed in the center of the mesa, and the lateral modes of the laser beams are determined by the coupling of the lateral modes confined by the two ridges, which are formed in the mesa. With an increase in the depth of the groove, light output operating in the fundamental lateral mode is enhanced and threshold current is decreased. When the depth of the groove is \(1.2\,\upmu \hbox {m}\) and the width of the groove is \(<\) 1.98  \(\upmu \hbox {m}\) , the kink does not appear up to the injected current of 2 A.     

Hydrogel-Stiffening and Non-Cell Adhesive Properties of Amphiphilic Peptides with Central Alkylene Chains

Amphiphilic peptides bearing terminal alkyl tails form supramolecular nanofibers that are increasingly used as biomaterials with multiple functionalities. Insertion of alkylene chains in peptides can be designed as another type of amphiphilic peptide, yet the influence of the internal alkylene chains on self-assembly and biological properties remains poorly defined. Unlike the terminal alkyl tails, the internal alkylene chains can affect not only the hydrophobicity but also the flexibility and packing of the peptides. Herein, we demonstrate the supramolecular and biological effects of the central alkylene chain length inserted in a peptide. Insertion of the alkylene chain at the center of the peptide allowed for strengthened β-sheet hydrogen bonds and modulation of the packing order, and consequently the amphiphilic peptide bearing C2 alkylene chain formed a hydrogel with the highest stiffness. Interestingly, the amphiphilic peptides bearing internal alkylene chains longer than C2 showed a diminished cell-adhesive property. This study offers a novel molecular design to tune mechanical and biological properties of peptide materials.