Understanding finite size effects in quasi-long-range orders for exactly solvable chain models

In this paper, we investigate how much of the numerical artefacts introduced by finite system size and choice of boundary conditions can be removed by finite size scaling, for strongly correlated systems with quasi-long-range order. Starting from the exact ground-state wave functions of hardcore bosons and spinless fermions with infinite nearest-neighbor repulsion on finite periodic chains and finite open chains, we compute the two-point, density-density, and pair-pair correlation functions, and fit these to various asymptotic power laws. Comparing the finite-periodic-chain and finite-open-chain correlations with their infinite-chain counterparts, we find reasonable agreement among them for the power-law amplitudes and exponents, but poor agreement for the phase shifts. More importantly, for chain lengths on the order of 100, we find our finite-open-chain calculation overestimates some infinite-chain exponents (as did a recent density-matrix renormalization-group (DMRG) calculation on finite smooth chains), whereas our finite-periodic-chain calculation underestimates these exponents. We attribute this systematic difference to the different choice of boundary conditions. Eventually, both finite-chain exponents approach the infinite-chain limit: by a chain length of 1000 for periodic chains, and >2000 for open chains. There is, however, a misleading apparent finite size scaling convergence at shorter chain lengths, for both our finite-chain exponents, as well as the finite-smooth-chain exponents. Implications of this observation are discussed.     

Heterocyclic benzoxazole-based liquid crystals:Synthesis and mesomorphic properties

New Schiff base liquid crystals containing benzoxazole core and alkanoyloxy chain at the end group of the molecules (C_n-1H_2n-1COO-,n=14,16,18) was synthesized.The present compounds are enantiotropic smectic A liquid crystals.It was also found that the end groups of the molecules and polar chloro substituent at the benzoxazole fragment had effect on the mesomorphic properties.     

Numerical study of nitrogen desorption by rapid oxygen purge for a medical oxygen concentrator

Efficient desorption of selectively adsorbed N₂ from air in a packed column of LiX zeolite by rapidly purging the adsorbent with an O₂ enriched gas is an important element of a rapid cyclic pressure swing adsorption (RPSA) process used in the design of many medical oxygen concentrators (MOC). The amount of O₂ purge gas used in the desorption process is a sensitive variable in determining the overall separation performance of a MOC unit. Various resistances like (a) adsorption kinetics, (b) column pressure drop, (c) non-isothermal column operation, (d) gas phase mass and thermal axial dispersions, and (e) gas-solid heat transfer kinetics determine the amount of purge gas required for efficient desorption of N₂. The impacts of these variables on the purge efficiency were numerically simulated using a detailed mathematical model of non-isothermal, non-isobaric, and non-equilibrium desorption process in an adiabatic column. The purge gas quantity required for a specific desorption duty (fraction of total N₂ removed from a column) is minimum when the process is carried out under ideal, hypothetical conditions (isothermal, isobaric, and governed by local thermodynamic equilibrium). All above-listed non-idealities (a?Ce) can increase the purge gas quantity, thereby, lowering the efficiency of the desorption process compared to the ideal case. Items (a?Cc) are primarily responsible for inefficient desorption by purge, while gas phase mass and thermal axial dispersions do not affect the purge efficiency under the conditions of operation used in this study. Smaller adsorbent particles can be used to reduce the negative effects of adsorption kinetics, especially for a fast desorption process, but increased column pressure drop adds to purge inefficiency. A?particle size range of ??300?C500???m is found to require a?minimum purge gas amount for a given desorption duty. The purge gas requirement can be further reduced by employing a pancake column design (length to diameter ratio, L/D<0.2) which lowers the column pressure drop, but hydrodynamic inefficiencies (gas mal-distribution, particle agglomeration) may be introduced. Lower L/D also leads to a smaller fraction of the column volume that is free of N₂ at the purge inlet end, which is required for maintaining product gas purity. The simulated gas and solid temperature profiles inside the column at the end of the rapid desorption process show that a finite gas-solid heat transfer coefficient affects these profiles only in the purge gas entrance region of the column. The profiles in the balance of the column are nearly invariant to the values of that coefficient. Consequently, the gas-solid heat transfer resistance has a minimum influence on the overall integrated N₂ desorption efficiency by O₂ purge for the present application.     

Mesomorphic behaviour of new azomethine liquid crystals having terminal bromo substituent

A homologous series of azomethine esters,4-n-alkanoyloxybenzylidene-4’-bromoanilines possessing even number of carbon atoms at the terminal alkanoyloxy chain(C_n-1H_2n-1COO- n = 8,10,12,14,16,18) was synthesized and characterized.Whilst n-octanoyloxy to n-dodecanoyloxy derivatives exhibited enantiotropic smectic A and smectic B phases,n-tetradecanoyloxy to n-octadecanoyloxy derivatives possessed enantiotropic smectic A and monotropic smectic B properties.n-Decanoyloxy derivatives demonstrated the optimum exhibition for both smectic A and smectic B phases.It was found that the length of terminal alkanoyloxy chain has an influence on mesomorphic properties.     

Regression Density Estimation With Variational Methods and Stochastic Approximation

Regression density estimation is the problem of flexibly estimating a response distribution as a function of covariates. An important approach to regression density estimation uses finite mixture models and our article considers flexible mixtures of heteroscedastic regression (MHR) models where the response distribution is a normal mixture, with the component means, variances, and mixture weights all varying as a function of covariates. Our article develops fast variational approximation (VA) methods for inference. Our motivation is that alternative computationally intensive Markov chain Monte Carlo (MCMC) methods for fitting mixture models are difficult to apply when it is desired to fit models repeatedly in exploratory analysis and model choice. Our article makes three contributions. First, a VA for MHR models is described where the variational lower bound is in closed form. Second, the basic approximation can be improved by using stochastic approximation (SA) methods to perturb the initial solution to attain higher accuracy. Third, the advantages of our approach for model choice and evaluation compared with MCMC-based approaches are illustrated. These advantages are particularly compelling for time series data where repeated refitting for one-step-ahead prediction in model choice and diagnostics and in rolling-window computations is very common. Supplementary materials for the article are available online.     

Recent Development of Anion Exchange Membrane Fuel Cells and Performance Optimization Strategies: A Review

Anion exchange membrane fuel cells (AEMFCs) are the most promising low-temperature fuel cells and have received extensive attention. Compared to PEMFCs, the cost per unit of power can be significantly reduced for AEMFCs because, in theory, they allow the usage of non-precious metal catalysts and low-cost cell components. Owing to the development of advanced materials and performance improvement strategies, AEMFCs have achieved new records in both initial performance and durability. However, the high performance currently achieved is contingent on certain conditions, e. g., high Pt loading, large gas flowrates, and operation in pure O₂, which are far from practical applications. Therefore, the transition to commercially relevant performance and durability is the next goal of AEMFCs. This paper reviews the performance data of H₂-fueled AEMFCs since 2010 and summarizes possible performance optimization schemes, which can provide useful insights for developing next-generation AEMFCs.     

Tilianin: A Potential Natural Lead Molecule for New Drug Design and Development for the Treatment of Cardiovascular Disorders

Cardiovascular disorders (CVDs) are the leading risk factor for death worldwide, and research into the processes and treatment regimens has received a lot of attention. Tilianin is a flavonoid glycoside that can be found in a wide range of medicinal plants and is most commonly obtained from Dracocephalum moldavica. Due to its extensive range of biological actions, it has become a well-known molecule in recent years. In particular, numerous studies have shown that tilianin has cardioprotective properties against CVDs. Hence, this review summarises tilianin’s preclinical research in CVDs, as well as its mechanism of action and opportunities in future drug development. The physicochemical and drug-likeness properties, as well as the toxicity profile, were also highlighted. Tilianin can be a natural lead molecule in the therapy of CVDs such as coronary heart disease, angina pectoris, hypertension, and myocardial ischemia, according to scientific evidence. Free radical scavenging, inflammation control, mitochondrial function regulation, and related signalling pathways are all thought to play a role in tilianin’s cardioprotective actions. Finally, we discuss tilianin-derived compounds, as well as the limitations and opportunities of using tilianin as a lead molecule in drug development for CVDs. Overall, the scientific evidence presented in this review supports that tilianin and its derivatives could be used as a lead molecule in CVD drug development initiatives.     

Development of Ultrahigh Permeance Hollow Fiber Membranes via Simple Surface Coating for CO2/CH4 Separation

Most researchers focused on developing highly selective membranes for CO₂/CH₄ separation, but their developed membranes often suffered from low permeance. In this present work, we aimed to develop an ultrahigh permeance membrane using a simple coating technique to overcome the trade-off between membrane permeance and selectivity. A commercial silicone membrane with superior permeance but low CO₂/CH₄ selectivity (in the range of 2–3) was selected as the host for surface modification. Our results revealed that out of the three silane agents tested, only tetraethyl orthosilicate (TEOS) improved the control membrane’s permeance and selectivity. This can be due to its short structural chain and better compatibility with the silicone substrate. Further investigation revealed that higher CO₂ permeance and selectivity could be attained by coating the membrane with two layers of TEOS. The surface integrity of the TEOS-coated membrane was further improved when an additional polyether block amide (Pebax) layer was established atop the TEOS layer. This additional layer sealed the pin holes of the TEOS layer and enhanced the resultant membrane’s performance, achieving CO₂/CH₄ selectivity of ~19 at CO₂ permeance of ~2.3 × 10⁵ barrer. This performance placed our developed membrane to surpass the 2008 Robeson Upper Boundary.     

Carbon-13 n.m.r. studies of methylquinolines and methylisoquinolines

Spectra are reported for all seven methylquinolines, nine dimethylquinolines, six methylisoquinolines and one dimethylisoquinoline. Substituent effects for the α, ortho, meta, para, vinylogous para and peri positions are reported for the monomethylcompounds. Additivity of these substituent effects is demonstrated for the dimethyl compounds which also exhibit a vicinal dimethyl steric effect.