A Simplified Linearized Lattice Boltzmann Method for Acoustic Propagation Simulation

A simplified linearized lattice Boltzmann method (SLLBM) suitable for the simulation of acoustic waves propagation in fluids was proposed herein. Through Chapman–Enskog expansion analysis, the linearized lattice Boltzmann equation (LLBE) was first recovered to linearized macroscopic equations. Then, using the fractional-step calculation technique, the solution of these linearized equations was divided into two steps: a predictor step and corrector step. Next, the evolution of the perturbation distribution function was transformed into the evolution of the perturbation equilibrium distribution function using second-order interpolation approximation of the latter at other positions and times to represent the nonequilibrium part of the former; additionally, the calculation formulas of SLLBM were deduced. SLLBM inherits the advantages of the linearized lattice Boltzmann method (LLBM), calculating acoustic disturbance and the mean flow separately so that macroscopic variables of the mean flow do not affect the calculation of acoustic disturbance. At the same time, it has other advantages: the calculation process is simpler, and the cost of computing memory is reduced. In addition, to simulate the acoustic scattering problem caused by the acoustic waves encountering objects, the immersed boundary method (IBM) and SLLBM were further combined so that the method can simulate the influence of complex geometries. Several cases were used to validate the feasibility of SLLBM for simulation of acoustic wave propagation under the mean flow.     

Multi-Focus Image Fusion Based on Hessian Matrix Decomposition and Salient Difference Focus Detection

Multi-focus image fusion integrates images from multiple focus regions of the same scene in focus to produce a fully focused image. However, the accurate retention of the focused pixels to the fusion result remains a major challenge. This study proposes a multi-focus image fusion algorithm based on Hessian matrix decomposition and salient difference focus detection, which can effectively retain the sharp pixels in the focus region of a source image. First, the source image was decomposed using a Hessian matrix to obtain the feature map containing the structural information. A focus difference analysis scheme based on the improved sum of a modified Laplacian was designed to effectively determine the focusing information at the corresponding positions of the structural feature map and source image. In the process of the decision-map optimization, considering the variability of image size, an adaptive multiscale consistency verification algorithm was designed, which helped the final fused image to effectively retain the focusing information of the source image. Experimental results showed that our method performed better than some state-of-the-art methods in both subjective and quantitative evaluation.     

椭球粒子声辐射力计算及分析

针对水下椭球粒子,以声散射理论为基础,采用分波序列的方法,建立了椭球粒子声辐射力的理论计算模型。进而根据声辐射力计算公式,以刚性椭球粒子和液体椭球粒子为例,计算并分析不同Bessel波束作用下椭球粒子的轴向声辐射力函数特征。数值仿真计算结果表明,对于刚性椭球粒子,扁平椭球粒子相对于细长椭球粒子更有助于激发负声辐射力;对于液体椭球粒子,细长椭球粒子相对于扁平椭球粒子更加容易产生负声辐射力;对于不同介质的椭球粒子,不同的入射波束激发的负声辐射力的效果也存在明显的差异。该结果为复杂的尺寸和介质粒子声操控技术提供了理论的可行性。     

On the Thermodynamic Thermal Properties of Quercetin and Similar Pharmaceuticals

The thermodynamic properties of pharmaceuticals are of major importance since they are involved in drug design, processing, optimization and modelling. In this study, a long-standing confusion regarding the thermodynamic properties of flavonoids and similar pharmaceuticals is recognized and clarified. As a case study, the thermal behavior of quercetin is examined with various techniques. It is shown that quercetin does not exhibit glass transition nor a melting point, but on the contrary, it does exhibit various thermochemical transitions (structural relaxation occurring simultaneously with decomposition). Inevitably, the physical meaning of the reported experimental values of the thermodynamic properties, such as the heat of fusion and heat capacity, are questioned. The discussion for this behavior is focused on the weakening of the chemical bonds. The interpretations along with the literature data suggest that the thermochemical transition might be exhibited by various flavonoids and other similar pharmaceuticals, and is related to the difficulty in the prediction/modelling of their melting point.     

Sodium β-Diketonate Glyme Adducts as Precursors for Fluoride Phases: Synthesis,Characterization and Functional Validation

Very few sodium complexes are available as precursors for the syntheses of sodium-based nanostructured materials. Herein, the diglyme, triglyme, and tetraglyme (CH₃O(CH₂CH₂O)_nCH₃, n = 2–4) adducts of sodium hexafluoroacetylacetonate were synthesized in a single-step reaction and characterized by IR spectroscopy, ¹H, and ¹³C NMR. Single-crystal X-ray diffraction studies provide evidence of the formation of the ionic oligomeric structure [Na₄(hfa)₆]²⁻•2[Na(diglyme₂]⁺ when the diglyme is coordinated, while a mononuclear seven-coordinated complex Na(hfa)•tetraglyme is formed with the tetraglyme. Reaction with the monoglyme (CH₃OCH₂CH₂OCH₃) does not occur, and the unadducted polymeric structure [Na(hfa)]_n forms, while the triglyme gives rise to a liquid adduct, Na(hfa)•triglyme•H₂O. Thermal analysis data reveal great potentialities for their applications as precursors in metalorganic chemical vapor deposition (MOCVD) and sol-gel processes. As a proof-of-concept, the Na(hfa)•tetraglyme adduct was successfully applied to both the low-pressure MOCVD and the sol-gel/spin-coating synthesis of NaF films.     

New pecJ-n (n = 1, 2) Basis Sets for High-Quality Calculations of Indirect Nuclear Spin–Spin Coupling Constants Involving 31P and 29Si: The Advanced PEC Method

In this paper, we presented new J-oriented basis sets, pecJ-n (n = 1, 2), for phosphorus and silicon, purposed for the high-quality correlated calculations of the NMR spin–spin coupling constants involving these nuclei. The pecJ-n basis sets were generated using the modified version of the property-energy consistent (PEC) method, which was introduced in our earlier paper. The modifications applied to the original PEC procedure increased the overall accuracy and robustness of the generated basis sets in relation to the diversity of electronic systems. Our new basis sets were successfully tested on a great number of spin–spin coupling constants, involving phosphorus or/and silicon, calculated within the SOPPA(CCSD) method. In general, it was found that our new pecJ-1 and pecJ-2 basis sets are very efficient, providing the overall accuracy that can be characterized by MAEs of about 3.80 and 1.98 Hz, respectively, against the benchmark data obtained with a large dyall.aae4z⁺ basis set of quadruple-ζ quality.     

Optimization of Lipid Extraction from Spirulina spp. by Ultrasound Application and Mechanical Stirring Using the Taguchi Method of Experimental Design

The present study uses the Taguchi method of experimental design to optimize lipid extraction from Spirulina spp. by ultrasound application and mechanical stirring. A Taguchi L₉ orthogonal array was used to optimize various parameters, such as methanol: chloroform (M:C) ratio, biomass: solvent ratio, and extraction time for lipid extraction. The results were analyzed using the signal-to-noise (S/N) ratio and analysis of variance (ANOVA). The biomass: solvent ratio significantly influenced lipid content (p < 0.05) with 92.1% and 92.3% contributions to the lipid and S/N ratio data, respectively. The extraction time presented a contribution value of 5.0%, while the M:C ratio presented the most negligible contribution of 0.4% for S/N data. The optimum extraction conditions were: M:C ratio of 1:1, biomass: solvent ratio of 1:60, and extraction time of 30 min. The predominant fatty acids were palmitic acid (44.5%), linoleic acid (14.9%), and gamma-linolenic acid (13.4%). The confirmation experiments indicated a lipid content of 8.7%, within a 95% confidence interval, proving the Taguchi method’s effectiveness in optimizing the process parameters for lipid extraction.     

Effects of Extraction Methods on the Bioactivities and Nutritional Value of Virginia and Valencia-Type Peanut Oil

This study aimed to evaluate the effects of peanut varieties cultivated in Morocco (Virginia and Valencia) and extraction methods (cold press, CP; Soxhlet, Sox and maceration, and Mac) on the fatty acid profile, phytosterol, and tocopherol contents, quality characteristics, and antioxidant potential of peanut seed oil. The DPPH method was used to determine the antioxidant activity of the oils. The results revealed that fatty acid content was slightly affected by the extraction technique. However, the CP method was shown to be an excellent approach for extracting oil with desirable quality features compared to the Sox and Mac methods. Furthermore, the peanut oil extracted via CP carried a higher amount of bioactive compounds and exhibited remarkable antioxidant activities. The findings also revealed higher oleic acid levels from the Virginia oil, ranging from 56.46% to 56.99%. Besides, a higher total phytosterol and tocopherol content and DPPH scavenging capacity were obtained from the Valencia oil. Analyzing the study, it can be inferred that extraction method and variety both affect the composition of the peanut oil’s bioactive compounds and antioxidant activity. This information is relevant for extracting peanut oil with a greater level of compounds of industrial interest.     

X-ray Absorption Spectroscopy Study of Iron Site Manganese Substituted Yttrium Orthoferrite

In this work, manganese (Mn)-doped YFeO₃, i.e., YFM_xO powders with 0 ≤ x ≤ 0.1, was synthesized by a hydrothermal method to study the influences of doping on its structural, morphological, optical, magnetic, and local electrical properties. The experimental results show that all the samples exhibit an orthorhombic structure with space group Pnma. Refined structure parameters are presented. Morphology images show the shape evolution from layered to multilayered with increasing Mn content. Infrared spectra reveal the characteristic vibrations of the obtained YFM_xO samples. From the magnetic study, an increased magnetic moment in the range of 0 ≤ x ≤ 0.075 is observed. The Fe and Y K-edge local structure studies indicate that the valency of Fe and Y is mainly found in the trivalent state, which also indicates that the substitution of Mn ions not only affects the nearest neighbor atomic shell of Fe but also affects the nearest neighbor’s local structure of Y atoms. Our results show that the addition of Mn exhibits an evident influence on the local structural and magnetic properties.