Tailoring a robust Al-MOF for trapping C2H6 and C2H2 towards efficient C2H4 purification from quaternary mixtures

Light hydrocarbon separation is considered one of the most industrially challenging and desired chemical separation processes and is highly essential in polymer and chemical industries. Among them, separating ethylene (C₂H₄) from C2 hydrocarbon mixtures such as ethane (C₂H₆), acetylene (C₂H₂), and other natural gas elements (CO₂, CH₄) is of paramount importance and poses significant difficulty. We demonstrate such separations using an Al-MOF synthesised earlier as a non-porous material, but herein endowed with hierarchical porosity created under microwave conditions in an equimolar water/ethanol solution. The material possessing a large surface area (793 m² g⁻¹) exhibits an excellent uptake capacity for major industrial hydrocarbons in the order of C₂H₂ > C₂H₆ > CO₂ > C₂H₄ > CH₄ under ambient conditions. It shows an outstanding dynamic breakthrough separation of ethylene (C₂H₄) not only for a binary mixture (C₂H₆/C₂H₄) but also for a quaternary combination (C₂H₄/C₂H₆/C₂H₂/CO₂ and C₂H₄/C₂H₆/C₂H₂/CH₄) of varying concentrations. The detailed separation/purification mechanism was unveiled by gas adsorption isotherms, mixed-gas adsorption calculations, selectivity estimations, advanced computer simulations such as density functional theory (DFT), grand canonical Monte Carlo (GCMC) and ab initio molecular dynamics (AIMD), and stepwise multicomponent dynamic breakthrough experiments.

Industrially important C₂H₄ purification from multi-component hydrocarbon mixtures.     

Solubility Optimization of Loxoprofen as a Nonsteroidal Anti-Inflammatory Drug: Statistical Modeling and Optimization

Industrial-based application of supercritical CO₂ (SCCO₂) has emerged as a promising technology in numerous scientific fields due to offering brilliant advantages, such as simplicity of application, eco-friendliness, and high performance. Loxoprofen sodium (chemical formula C₁₅H₁₈O₃) is known as an efficient nonsteroidal anti-inflammatory drug (NSAID), which has been long propounded as an effective alleviator for various painful disorders like musculoskeletal conditions. Although experimental research plays an important role in obtaining drug solubility in SCCO₂, the emergence of operational disadvantages such as high cost and long-time process duration has motivated the researchers to develop mathematical models based on artificial intelligence (AI) to predict this important parameter. Three distinct models have been used on the data in this work, all of which were based on decision trees: K-nearest neighbors (KNN), NU support vector machine (NU-SVR), and Gaussian process regression (GPR). The data set has two input characteristics, P (pressure) and T (temperature), and a single output, Y = solubility. After implementing and fine-tuning to the hyperparameters of these ensemble models, their performance has been evaluated using a variety of measures. The R-squared scores of all three models are greater than 0.9, however, the RMSE error rates are 1.879 × 10⁻⁴, 7.814 × 10⁻⁵, and 1.664 × 10⁻⁴ for the KNN, NU-SVR, and GPR models, respectively. MAE metrics of 1.116 × 10⁻⁴, 6.197 × 10⁻⁵, and 8.777 × 10⁻⁵errors were also discovered for the KNN, NU-SVR, and GPR models, respectively. A study was also carried out to determine the best quantity of solubility, which can be referred to as the (x₁ = 40.0, x₂ = 338.0, Y = 1.27 × 10⁻³) vector.     

Development,In-Vitro Characterization and Preclinical Evaluation of Esomeprazole-Encapsulated Proniosomal Formulation for the Enhancement of Anti-Ulcer Activity

Objective: The present study aimed to develop and optimize esomeprazole loaded proniosomes (EZL-PNs) to improve bioavailability and therapeutic efficacy. Method: EZL-PNs formulation was developed by slurry method and optimized by 33 box-Bhekhen statistical design software. Span 60 (surfactant), cholesterol, EZL concentration were taken as independent variables and their effects were evaluated on vesicle size (nm), entrapment efficiency (%, EE) and drug release (%, DR). Furthermore, optimized EZL-PNs (EZL-PNs-opt) formulation was evaluated for ex vivo permeation, pharmacokinetic and ulcer protection activity. Result: The EZL-PNs-opt formulation showed 616 ± 13.21 nm of vesicle size, and 81.21 ± 2.35% of EE. EZL-PNs-opt exhibited negative zeta potential and spherical confirmed scanning electron microscopy. EZL-PNs-opt showed sustained release of EZL (95.07 ± 2.10% in 12 h) than pure EZL dispersion. The ex-vivo gut permeation result exhibited a significantly (p < 0.05) enhanced flux than pure EZL. The in vivo results revealed 4.02-fold enhancement in bioavailability and 61.65% protection in ulcer than pure EZL dispersion (43.82%). Conclusion: Our findings revealed that EZL-PNs formulation could be an alternative delivery system of EZL to enhance oral bioavailability and antiulcer activity.     

Computation of pressure drop for dilute gas-solid suspension across thin and thick orifices

The present work deals with the computation of the gas-solid two-phase flow pressure drop across thin and thick orifices for a vertically downward flow configuration at the higher limits of a dilute phase flow situation(0.01≤αs,in≤0.10).The Eulerian-Eulerian(two-fluid)model has been used in conjunction with the kinetic theory of granular flow with a four-way coupling approach.The validation of the solution process has been performed by comparing the computational result with the existing experimental data.It is observed that the two-phase flow pressure drop across the orifice increases with an increase in the thickness of the orifice,and the effect is more prominent at higher solid loading.The pressure drop is found to increase with an increase in the solid volume fraction.An increase in the Reynolds number or the area ratio increases the pressure drop.An increase in the size of the particles reduces the pressure drop across the orifice at both small and relatively large solid volume fractions.Finally,a two-phase multiplier has been proposed in terms of the relevant parameters,which can be useful to evaluate the gas-solid two-phase flow pressure drop across the orifice and can subsequently help to improve the system performance.     

An Interacting Gauge Field Theoretic Model for Hodge Theory: Basic Canonical Brackets

We derive the basic canonical brackets amongst the creation and annihilation operators for a two （1 ＋ 1）- dimensional （2D） gauge field theoretic model of an interacting Hodge theory where a U（1） gauge field （Aμ） is coupled with the fermionic Dirac fields （ψ and ψ）. In this derivation, we exploit the spin-statistics theorem, normal ordering and the strength of the underlying six infinitesimal continuous symmetries （and the concept of their generators） that are present in the theory. We do not use the definition of the canonical conjugate momenta （corresponding to the basic fields of the theory） anywhere in our whole discussion. Thus, we conjecture that our present approach provides an alternative to the canonical method of quantization for a class of gauge field theories that are physical examples of Hodge theory where the continuous symmetries （and corresponding generators） provide the physical realizations of the de Rham cohomological operators of differential geometry at the algebraic level.     

Comparative study of different Schlieren diffracting elements

This paper presents an analysis of diffraction effects taking place at different Schlieren diffracting elements. Two types of diffraction effects are prominent in the Schlieren schemes. One is diffraction of direct light (source image) at the Schlieren element, which limits the sensitivity and resolution of Schlieren systems. The second type is the diffraction of light deflected from the test object at the Schlieren-diffracting element. This second type of diffraction degrades the quality of Schlieren results. Experimental results showing the effect of diffraction of light deflected from the test object at a phase knife-edge, corner of a square phase aperture and an optical fiber tip as Schlieren diffracting elements have been presented and discussed.      

Stable edge dislocations in finite crystals

Dislocations have been considered as mechanically unstable defects in bulk crystals, ignoring the Peierls oscillations. Eshelby [J. Appl. Phys. 24 (1953) p.176] had showed that a screw dislocation can be stable in a thin cylinder. In the current work, considering Eshelby's example of an edge dislocation in a single crystalline plate, we show that an edge dislocation can be stable in a finite crystal. Using specific examples, we also show that the position of stability of an edge dislocation can be off-centre. This shift in the stability from the centre marks the transition from a stable dislocation to an unstable one. The above-mentioned tasks are achieved by simulating edge dislocations using the finite element method.     

A validated HPLC‐PDA method for identification and quantification of two bioactive alkaloids,ephedrine and cryptolepine,in different Sida species

A simple, rapid, accurate and reproducible reverse‐phase HPLC method has been developed for the identification and quantification of two alkaloids ephedrine and cryptolepine in different extracts of Sida species using photodiode array detection. Baseline separation of the two alkaloids was achieved on a Waters RP‐18 X‐terra column (250 × 4.6 mm, 5 µm) using a solvent system consisting of a mixture of water containing 0.1% Trifluoroacetic acid (TFA) and acetonitrile in a gradient elution mode with detection at 210 and 280 nm for ephedrine and cryptolepine, respectively. The calibration curves were linear in a concentration range of 10–250 µg/mL for both the alkaloids with correlation coefficient values >0.99. The limits of detection and quantification for ephedrine and cryptolepine were 5 and 10 µg/mL and 2.5 and 5 µg/mL, respectively. Relative standard deviation values for intra‐day and inter‐day precision were 1.22 and 1.04% for ephedrine and 1.71 and 2.06% for cryptolepine, respectively. Analytical recovery ranged from 92.46 to 103.95%. The developed HPLC method was applied to identify and quantify ephedrine and cryptolepine in different extracts of Sida species. Copyright © 2013 John Wiley & Sons, Ltd.     

Studies on stability of bi-functional P3HT:PCBM:rubrene optoelectronic devices

Investigations are carried out for stability in photovoltaic response of bifunctional electroluminescent and photovoltaic devices, based on ternary blend of poly(3-hexylthiophene) (P3HT), phenyl [6,6′]C₆₁ butyric acid methyl ester (PCBM), and 5,6,11,12-tetraphenylnaphthacene (rubrene). P3HT and PCBM are important and the most frequent materials used for photovoltaic applications, therefore, for relative comparison, photovoltaic cells were also prepared using a binary mixture of P3HT and PCBM. Devices based on the ternary blend exhibited better stability in all photovoltaic parameters and the lifetime was almost doubled, but their photovoltaic efficiency was lower than that of those based on the binary blend. Longer lifetime of ternary blend devices is because of a relatively better thermal, electrochemical, and morphological stabilities of the ternary blend system. However, the lower efficiencies are because of the reduced photo-current and low fill factor (FF) due to an increased recombination and introduction of defects/trapping sites by rubrene molecules.     

Photoluminescence and atomic force microscopy studies on pre- and post-irradiated ruby with Fe3+ ion

Photoluminescence spectra measured for pristine ruby and its two irradiated samples with Fe³⁺ ion show R₁, R₂, N lines and a broad band. Decrease in intensities of these features is observed with irradiation of Fe³⁺ ion in ruby. Progressive structural changes and modifications on surface of irradiated rubies with Fe³⁺ ion have been observed by atomic force microscopy. Decrease in intensities is discussed in terms of pair formation.