Juarezsharpe2515

Accordingly, it is found that additives can improve the mechanical properties in each concentration.Succinate dehydrogenase (SDH) present in the inner mitochondrial membrane is an important target enzyme for the design of SDH inhibitor-type fungicides. Using SDH as the target enzyme, 22 novel longifolene-derived diacylhydrazine compounds were designed and synthesized using the renewable natural product longifolene as the starting material. Their structures were confirmed by IR, 1H NMR, 13C NMR, electrospray mass spectrometry, and elemental analysis. In vitro antifungal activity of the target compounds was preliminarily evaluated. As a result, some of them showed better or comparable antifungal activity than that of the commercial fungicide chlorothalonil, in which compound 5a had inhibitory rates of 97.5, 80.5, 72.1, and 67.1% against Physalospora piricola, Colletotrichum orbiculare, Alternaria solani, and Gibberella zeae, respectively, presenting excellent and broad-spectrum activity that deserved further study. Besides, a reasonable and effective three-dimensional structure-activity quantitative relationship model has been established. There was a significant positive correlation between the antifungal activity and the docking-based binding energy analyzed using Spearman's rank correlation algorithm. Also, the simulative binding pattern of the target compounds with SDH was investigated by molecular docking study. Furthermore, the diacylhydrazine and phenol groups of the target compounds were proposed to be the potential pharmacophores by frontier molecular orbital analysis.Magnetic Fe3O4/α-FeOOH heterojunction nanocomposites (denoted as Fe-NCs) have been synthesized by a fast one-pot hydrothermal method. The obtained Fe-NCs contain rich micropores with a high surface area of 135.15 m2/g. The different phases in the composites can efficiently enhance the visible-light absorption, improving the separation and transfer of photogenerated electron-hole pairs during the photocatalytic reaction. Thus, they show excellent degradation and mineralization of tetracycline (TC) over a wide pH range (5-9) in the visible photo-Fenton reaction. Especially, the catalyst exhibits the highest adsorption capacity toward TC at a neutral pH, which facilitates the surface reactions of TC with active species. Experiments evidence that the high production of photogenerated holes and superoxide radicals (O2 •-) in Fe-NCs are favorable to the high catalytic efficiency. Combined with liquid chromatography-mass spectrometry, the possible pathway toward TC degradation was proposed.We self-design a micro fluidized bed reactor (MFB) with combination of an online char particle sampling system to study the kinetics of coal char combustion and gasification. The system mainly contains two parts a micro fluidized bed and vacuum online sampling. Vientiane coal was continuously sampled from the MFB. Both combustion and gasification reactivities of the sampled chars were tested in a thermogravimetric analyzer. Kinetic parameters of the sampled char were analyzed. Char reactivity in oxy-fuel combustion in the MFB obeys the rule of decrease-increase-decrease behavior with the sampling time. Pre-exponential factor A and activation energy E of the sampled char increase with the sampling time. The gasification reactivity of the sampled char increases with the sampling time even though there is a minor decrease in an initial gasification stage. The new designed MFB combining with the online sampling system will pave the path for the investigation of gas-solid reaction evolution in the future.Analysis of the current technical solutions for the processing of iron ores showed that the high-grade ores are directly exposed to metallurgical processing; by comparison, low-grade ores, depending on the mineralogical and material composition, are directed to beneficiation including gravitational, magnetic, and flotation processes or their combination. Obtaining high-quality concentrates with high iron content and low content of impurities from low-grade iron ores requires the maximum possible liberation of valuable minerals and a high accuracy of separating features (difference in density, magnetic susceptibility, wettability, etc.). Mineralogical studies have established that the main iron-bearing mineral is hematite, which contains 69.02 to 70.35% of iron distributed in the ore. Magnetite and hydrogoethite account for 16.71-17.74 and 8.04-10.50% of the component, respectively; the proportion of iron distributed in gangue minerals and finely dispersed iron hydroxides is very insignificant. Iron is mainly present in the trivalent form-Fe2O3 content ranges from 50.69 to 51.88%; bivalent iron is present in small quantities-the FeO content in the samples ranges from 3.53 to 4.16%. The content of magnetic iron is 11.40-12.67%. Based on the obtained results by the investigation of the features of magnetite-hematite ores from the Mikhailovskoye deposit, a technological scheme of magneto-flotation beneficiation was proposed, which allows producing iron concentrates with 69% of iron content and less than 2.7% silicon dioxide for the production of pellets with subsequent metallization.The inert gases Xe and Kr mainly exist in the used nuclear fuel (UNF) with the Xe/Kr ratio of 2080, which it is difficult to separate. In this work, based on the G-MOFs database, high-throughput computational screening for metal-organic frameworks (MOFs) with high Xe/Kr adsorption selectivity was performed by combining grand canonical Monte Carlo (GCMC) simulations and machine learning (ML) technique for the first time. From the comparison of eight classical ML models, it is found that the XGBoost model with seven structural descriptors has superior accuracy in predicting the adsorption and separation performance of MOFs to Xe/Kr. Compared with energetic or electronic descriptors, structural descriptors are easier to obtain. Note that the determination coefficients R 2 of the generalized model for the Xe adsorption and Xe/Kr selectivity are very close to 1, at 0.951 and 0.973, respectively. In addition, 888 and 896 MOFs have been successfully predicted by the XGBoost model among the top 1000 MOFs in adsorption capacity and selectivity by GCMC simulation, respectively. According to the feature engineering of the XGBoost model, it is shown that the density (ρ), porosity (ϕ), pore volume (Vol), and pore limiting diameter (PLD) of MOFs are the key features that affect the Xe/Kr adsorption property. To test the generalization ability of the XGBoost model, we also tried to screen MOF adsorbents on the CO2/CH4 mixture, it is found that the prediction performance of XGBoost is also much better than that of the traditional machine learning models although with the unbalanced data. Note that the dimension of features of MOFs is low while the quantity of MOF samples in database is very large, which is suitable for the prediction by model such as XGBoost to search the global minimum of cost function rather than the model involving feature creation. JQ1 The present study represents the first report using the XGBoost algorithm to discover the MOF adsorbates.Application of nucleating agents is the most versatile and industrially applied way to manipulate the crystalline structure of isotactic polypropylene (iPP). Various materials possess a nucleating effect, but from the viewpoint of dispersibility, the partially soluble ones are the most advantageous. Our objective was to synthesize new N,N'-dicyclohexyldicarboxamide homologues and study their applicability as nucleating agents in iPP. Carbon-13 nuclear magnetic resonance (13C NMR) and infrared spectroscopy were used to prove that the synthesis reactions were successful. link2 Thermal stability of the compounds was investigated with simultaneous thermal analysis. Nucleating efficiency and solubility were characterized by polarized light microscopy and differential scanning calorimetry. Polarized light microscopy was also applied to study the effect of novel additives on the morphology of iPP. The properties, important from the viewpoint of applicability, were also investigated. Tensile tests were performed to characterize the main mechanical properties, and standard haze measurements were performed to characterize optical properties. It can be concluded that the investigated compounds are partially soluble nucleating agents and influence the crystalline structure of iPP. Most of the studied compounds have a moderate nucleating efficiency, but a very interesting dendritic structure develops in their presence. Two of them proved to be non-selective β-nucleating agents, which result in a remarkable improvement of impact resistance and higher opacity.Lactic acid bacterial exopolysaccharides (EPS) are used in the food industry to improve the stability and rheological properties of fermented dairy products. β-Lactoglobulin (BLG), the dominant whey protein in bovine milk, is well known to bind small molecules such as fatty acids, vitamins, and flavors, and to interact with neutral and anionic polysaccharides used in food and pharmaceuticals. While sparse data are available on the affinity of EPS-milk protein interactions, structural information on BLG-EPS complexes, including the EPS binding sites, is completely lacking. Here, binding sites on BLG variant A (BLGA), for oligosaccharides prepared by mild acid hydrolysis of two EPS produced by Streptococcus thermophilus LY03 and Lactobacillus delbrueckii ssp. bulgaricus CNRZ 1187, respectively, are identified by NMR spectroscopy and supplemented by isothermal titration calorimetry (ITC) and molecular docking of complexes. Evidence of two binding sites (site 1 and site 2) on the surface of BLGA is achieved for both oligosaccharides (LY03-OS and 1187-OS) through NMR chemical shift perturbations, revealing multivalency of BLGA for EPS. The affinities of LY03-OS and 1187-OS for BLGA gave K D values in the mM range obtained by both NMR (pH 2.65) and ITC (pH 4.0). Molecular docking suggested that the BLGA and EPS complexes depend on hydrogen bonds and hydrophobic interactions. The findings provide insights into how BLGA engages structurally different EPS-derived oligosaccharides, which may facilitate the design of BLG-EPS complexation, of relevance for formulation of dairy products and improve understanding of BLGA coacervation.Flavonoids are a class of commonly occurring natural compounds in the plant kingdom with various biological activities. This study compares the content of flavonoids in Cyclocarya paliurus at different developmental stages to better inform the selection of the optimal picking period. Thus, we analyzed the transcriptome and metabolome of C. paliurus at different developmental stages. The transcriptome analysis revealed 44 genes involved in the biosynthesis of flavonoids in C. link3 paliurus, with 10 differentially expressed genes across the four different developmental stages. The metabolites were separated and identified by a combination of chromatography and mass spectrometry, followed by multi-reaction monitoring mode analysis of triple quadrupole mass spectrometry for complete metabolite quantification. In the flavonoid synthesis pathway, a total of 137 differential flavonoids were detected. The joint transcriptome and metabolome analysis showed that the expression trends in differential metabolites and genes were significantly related.