In silico evaluation of kuwanon compounds as antiviral agents targeting H9N2 influenza virus

Background:The threat of avian influenza a subtype avian influenza A(H9N2)virus remains a significant concern,necessitating the exploration of novel antiviral agents.This study employs network pharmacology and computational analysis to investigate the potential of kuwanons,a natural compounds against H9N2 influenza virus.Methods:Leveraging comprehensive databases and bioinformatics tools,we elucidate the molecular mechanisms underlying Kuwanons pharmacological effects against H9N2 influenza virus.Network pharmacology identifies H9N2 influenza virus targets and compounds through integrated protein-protein interaction and Kyoto Encyclopedia of Genes and Genomes analyses.Molecular docking studies were performed to assess the binding affinities and structural interactions of Kuwanon analogues with key targets,shedding light on their potential inhibitory effects on viral replication and entry.Results:Compound-target network analysis revealed complex interactions(120 nodes,163 edges),with significant interactions and an average node degree of 2.72.Kyoto Encyclopedia of Genes and Genomes analysis revealed pathways such as Influenza A,Cytokine-cytokine receptor interaction pathway in H9N2 influenza virus.Molecular docking studies revealed that the binding free energy for the docked ligands ranged between-5.2 and-9.4 kcal/mol for the human interferon-beta crystal structure(IFNB1,Protein Data Bank:1AU1)and-5.4 and-9.6 kcal/mol for Interleukin-6(IL-6,PDB:4CNI).Conclusion:Our findings suggest that kuwanon exhibits promising antiviral activity against H9N2 influenza virus by targeting specific viral proteins,highlighting its potential as a natural therapeutic agent in combating avian influenza infections.

FeS-FeS_2组合物的热分析动力学

为了揭示储油罐硫腐蚀产物的氧化自燃历程,在30~1000℃的温度区间,升温速率为10、15、20℃/min的实验条件下,采用同步热分析仪表征了储罐硫腐蚀产物主要成分FeS和FeS_2以及FeS-FeS_2组合物的氧化热解特性。对升温速率15℃/min下FeS和FeS_2的TG-DTG-DSC曲线及FeS-FeS_2组合物的TG-DTG曲线进行比较,进一步采用Flynn-Wall-Ozawa(FWO)和Kissinger 2种热分析动力学方法分别求解FeS-FeS_2组合物的表观活化能。结果表明,6种样品的着火温度主要分布在413.82~508.80℃之间;除FeS外,其他样品的TG曲线趋势相似,DTG曲线在500~650℃温度范围内普遍存在2个质量损失峰值。FeS-FeS_2组合物在氧化自燃过程中,FeS和FeS_2并非简单孤立地发生反应,而是FeS和FeS_2相互作用;组合物中FeS_2的质量分数为20%时,平均表观活化能达到最小,FWO法和Kissinger法计算的平均表观活化能分别为172.95和164.56kJ/mol,且其自燃倾向性最大。

FeS-FeS_2组合物的吸附孔分形特征

为揭示高硫矿山硫化矿石吸附孔隙分形特征,采集FeS-FeS_2组合物进行低温氮吸附实验,测量4种FeS-FeS_2组合物的比表面积、总孔容及平均孔径,揭示其孔隙特征.运用FHH模型计算得到4种FeS-FeS_2组合物的分形维数,并分析不同FeS-FeS_2组合物分形维数与孔隙参数、吸附能力的关系.研究表明,4种样品低温氮吸附-解析曲线虽在形态上略有差异,但均属于IV型; FeS-FeS_2组合物气体吸附主要集中在2～8 nm介孔上;随着FeS-FeS_2组合物中FeS质量分数增加,样品分形维数也会增大;分形维数增大,FeS-FeS_2组合物的比表面积和总孔容相应增大,平均孔径相应减小,孔隙结构越复杂,孔表面变得越粗糙;分形维数与FeS-FeS_2组合物的气体吸附能力呈现正相关性,即分形维数越大,吸附能力越强.因此,FeS-FeS_2组合物中FeS质量分数的增大引起分数维数增加,有助于FeS-FeS_2组合物表面吸附存储氧气,更易使硫化矿石发生氧化自燃.

MnCe-Al_(2)O_(3)球形颗粒的制备及其催化燃烧环己烷性能

挥发性有机物(VOCs)的大量排放会导致环境污染和健康危害,催化燃烧是高效降解VOCs的重要手段之一.采用海藻酸盐溶胶-凝胶法合成了MnCe-Al_(2)O_(3)球形颗粒作为环己烷催化燃烧催化剂,结果表明,Mn催化剂中适当添加Ce可提高MnOx的分散性,降低催化剂H_(2)-TPR还原温度.催化剂中Mn和Ce摩尔比为3∶1、煅烧温度650℃时,催化剂催化燃烧环己烷活性最高,可以在345℃实现环己烷的完全转化.反应24 h后,催化剂仍显示出几乎100%的环己烷转化率,表现了良好的催化稳定性.与浸渍法制备的催化剂相比,MnCe-31-Al_(2)O_(3)-650催化剂活性更高.

Lewis base-assisted Lewis acid-catalyzed selective alkene formation via alcohol dehydration and synthesis of 2-cinnamyl-1,3-dicarbonyl compounds from 2-aryl-3,4-dihydropyrans

Acid-catalyzed dehydration of alcohols has been widely employed for the synthesis of alkenes. However, activated alcohols when employed as substrates in dehydration reactions are often pla-gued by the lack of alkene selectivity. In this work, the reaction system can be significantly improved through enhancing the performance of Lewis acid catalysts in the dehydration of activated alcohols by combining with a Lewis base. Observations of the reaction mechanism revealed that the Lewis base component might have changed the reaction rate order. Although both the principal and side reaction rates decreased, the effect was markedly more observed on the latter reaction. Therefore, the selectivity of the dehydration reaction was improved. On the basis of this observation, a new route to synthesize 2-cinnamyl-1,3-dicarbonyl compounds was developed by using 2-aryl-3,4- di-hydropyran as a starting substrate in the presence of a Lewis acid/Lewis base combined catalyst system.

A mild,efficient and selective iodination of aromatic compounds using iodine and 1,4-bis(triphenylphosphonium)-2-butene peroxodisulfate

A simple and efficient method for the iodination of aromatic compounds has been achieved in the presence of iodine and 1,4- bis（triphenylphosphonium）-2-butene peroxodisulfate.

Enhanced photodegradation of phenolic compounds by adding TiO_2 to soil in a rotary reactor

Photodegradation ofpentachlorophenol （PCP） and p-nitrophenol （PNP） in soil was carried out in a designed rotary reactor, which can provide the soil particles with continually uniform irradiation, and on a series of thin soil layers. TiO2, as a kind of environmental friendly photocatalyst, was introduced to the soil to enhance the processes. Compared with that on the soil layers, photodegradation of PCP at initial concentration of 60 mg/kg was improved dramatically in the rotary reactor no matter whether TiO2 was added, with an increase of 3.0 times in the apparent first-order rate constants. The addition of 1 wt% TiO2 furthered the improvement by 1.4 times. Without addition of TiO2, PNP （initial concentration of 60 mg/kg） photodegradation rate in the rotary reactor was similar to that on the soil layers. When 1 wt% additional TiO2 was added, PNP photodegradation was enhanced obviously, and the enhancement in the rotary reactor was 2 times of that on the soil layers, which may be attributed to the higher frequency of the contact between PNP on soil particles and the photocatalyst. The effect of soil pH and initial concentrations of the target compounds on the photodegradation in the rotary reactor was investigated. The order of the degradation rate at different soil pH was relative to the aggregation of soil particles during mixing in the rotary reactor. Photodegradation of PCP and PNP at different initial concentrations showed that addition of TiO2 to enhance the photodegradation was more suitable for contaminated soil with higher concentration of PCP, while was effective for contaminated soil at each PNP concentration tested in our study.

Porous TiFe_(2) intermetallic compound fabricated via elemental powder reactive synthesis

Porous intermetallics show potential in the field of filtration and separation as well as in the field of catalysis.Herein,porous Ti Fe2intermetallics were fabricated by the reactive synthesis of elemental powders.The phase transformation and pore formation of porous TiFe2intermetallics were investigated,and its corrosion behavior and hydrogen evolution reaction(HER)performance in alkali solution were studied.Porous TiFe2intermetallics with porosity in the range of 34.4%-56.4%were synthesized by the diffusion reaction of Ti and Fe elements,and the pore formation of porous TiFe2intermetallic compound is the result of a combination of the bridging effect and the Kirkendall effect.The porous TiFe2samples exhibit better corrosion resistance compared with porous 316L stainless steel,which is related to the formation of uniform nanosheets on the surface that hinder further corrosion,and porous TiFe2electrode shows the overpotential of 220.6 and 295.6 mV at 10 and 100 mA·cm-2,suggesting a good catalytic performance.The synthesized porous Fe-based intermetallic has a controllable pore structure as well as excellent corrosion resistance,showing its potential in the field of filtration and separation.

Hierarchical pore structure of activated carbon fabricated by CO_2/microwave for volatile organic compounds adsorption

An activated carbon pore-expanding technique was achieved through innovative reactivation by CO_2/microwave.The original and modified activated carbons were characterized by nitrogen adsorption–desorption,scanning electron microscopy,transmission electron microcopy,and Fourier transform infrared spectroscopy.The mesopore volume increased from 0.122 cm^3·g^(-1) to 0.270 cm^3·g^(-1),and a hierarchical pore structure was formed.A gradual decrease in the phenolic hydroxyl and carboxyl groups on the surface of activated carbon enhanced the surface inertia of granular activated carbon(GAC).The toluene desorption rate of the modified sample increased by 8.81% compared with that of the original GAC.Adsorption isotherm fittings revealed that the Langmuir model was applicable for the original and modified activated carbons.The isosteric adsorption heat of toluene on the activated carbon decreased by approximately 50%,which endowed the modified sample with excellent stability in application.The modified samples showed an enhanced desorption performance of toluene,thereby opening a way to extend the cycle life and improve the economic performance of carbon adsorbent in practical engineering applications.

Structures and Properties of Two Pb^Ⅱ Compounds and Theoretical Study of 2,4-Oxybis（benzoic acid）

Two Pb^Ⅱ coordination polymers [Pb（oba）（2,2′-bipy）]·1.5H2O（1） and [Pb（oba）（phen）]（2）（H2oba = 2,4-oxybis（benzoic acid）, 2,2′-bipy = 2,2′-bipyridine, phen = 1,10-phenanthroline） were synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction, thermogravimetric analyses, IR spectroscopy and elemental analysis. Structures of compounds 1 and 2 are similar. Compounds 1 and 2 show 1D wavy chains, which are further connected through aromatic π-π stacking interactions to expand into 2D wavelike networks. The crystal structure of 2,4-oxybis（benzoic acid） ligand（3） was obtained, and its full geometry optimization was carried out by using DFT methods at the B3LYP/6-31G（d） level. The calculated data show that the bond distances and bond angles were very close to the experimental data. The values of the frontier orbital energies indicate that this configuration is stable. Moreover, the solid-state fluorescence properties of 1-3 have also been investigated.

Recent advances in the utilization of copper sulfide compounds for electrochemical CO2 reduction

Converting carbon dioxide(CO2)into value-added chemicals by CO2 reduction has been considered as a potential way to solve the current energy crisis and environmental problem.Among the methods of CO2 reduction,the electrochemical method has been widely used due to its mild reaction condition and high reaction efficiency.In the electrochemical reduction system,the CO2 electrocatalyst is the most important part.Although many CO2 electrocatalysts have been developed,efficient catalysts with high activity,selectivity and stability are still lacking.Copper sulfide compound,as a low-toxicity and emerging material,has broad prospects in the field of CO2 reduction due to its unique structural and electrochemical properties.Much progress has been achieved with copper sulfide nanocrystalline and the field is rapidly developing.This paper summarizes the preparation,recent progress in development,and factors affecting the electrocatalytic CO2 reduction performance with copper sulfide compound as a catalyst.Prospects for future development are also outlined,with the aim of using copper sulfide compound as a highly active and stable electrocatalyst for CO2 reduction.

Magnetostriction of Pseudobinary Compounds Pr_(0.15)Tb_xDy_(0.85-x)Fe_2(x=0 to 0.85)

The compound ingots of Pr0.15TbxDy0.85-xFe2 (x=0 to 0.85) were prepared by arc melting in a water Cu boat using arc furnace under a purified Ar atmosphere. Appropriate annealing (850℃, 100 h) can obtain single Laves phase compound. The magnetostriction for these systems will rise obviously when partially substituted Tb or Dy by Pr.

MICHAEL ADDITION OF NITROALKANE TO α,β-UNSATURATED CARBONYL COMPOUNDS ON KF / Al_2O_3/ PEG4000

Michael addition of nitroalkanes to α,β-unsaturated carbonyl compounds occurs in the presence of KF/AI_2O_3/PEG4000 without solvent.Yields are fair to good and work-ups are easy.

Structures and physical properties of R_2TX_3 compounds

Rare-earth compounds have been an attractive subject based on the unique electronic structures of the rare-earth elements. Novel ternary intermetallic compounds R2TX3 （R = rare-earth element or U, T = transition-metal element, X = Si, Ge, Ga, In） are a significant branch of this research field due to their complex and intriguing physical properties, such as magnetic order at low temperature, spin-glass behavior, Kondo effect, heavy fermion behavior, and so on. The unique physical properties of R2TX3 compounds are related to distinctive electronic structures, crystal structures, micro- interaction, and external environment. Most R2TX3 compounds crystallize in A1B2-type or derived A1B2-type structures and exhibit many similar properties. This paper gives a concise review of the structures and physical properties of these compounds. Spin glass, magnetic susceptibility, resistivity, and specific heat of R2 TX3 compounds are discussed.

Magnetic properties and magnetocaloric effects in(Ho_(1-x)Y_x)_5Pd_2 compounds

The crystal structure, magnetic and magnetocaloric properties of(Ho_(1-x) Y_(0.5))_5 Pd_2 compounds are investigated. All the compounds crystallize in a cubic Dy_5 Pd_2-type structure with the space group Fd3 m and undergo a second order transition from spin glass(SG) state to paramagnetic(PM) state. The spin glass transition temperatures T_g decrease from 26 K for x = 0 to 13 K for x = 0.5. In the PM region, the reciprocal susceptibilities for all the compounds obey the Curie–Weiss law. The paramagnetic Curie temperatures(θp) for Ho_5 Pd_2,(Ho_(0.75) Y_(0.25)_5 Pd_2, and(Ho_(0.5) Y_(0.5))_5 Pd_2 are determined to be 32 K, 30 K, and 22 K, respectively, and the corresponding effective magnetic moments(μeff) are10.8 μB/Ho, 10.3 μB/RE, and 7.5 μB/RE, respectively. Magnetocaloric effect(MCE) is anticipated according to the Maxwell relation, based on the isothermal magnetization curves. For a magnetic field change of 0–5 T, the maximum values of the isothermal magnetic entropy change-?SMof the(Ho_(1-x)Y_x)_5 Pd_2(x = 0, 0.25, and 0.5) compounds are determined to be 11.5 J·kg^(-1)·K^(-1), 11.1 J·kg^(-1)·K^(-1), and 8.9 K J·kg^(-1)·K^(-1), with corresponding refrigerant capacity values of 382.3 J·kg^(-1), 336.2 J·kg^(-1), and 242.5 J·kg^(-1), respectively.

New CO_2-philic Compounds: Design, Synthesis and Solubility in Supercritical Carbon Dioxide

A series of gluscose derivatives were designed, synthesized, and their structures were confirmed by IR, NMR and elementary analysis. All new compounds are highly soluble in liquid or supercritical carbon dioxide. The compound with electron-withdrawing substituent on benzene ring had even better solubility than the compounds with electron-donating substituent.

Natural compounds may contribute in preventing SARS-CoV-2 infection:a narrative review

Coronavirus pandemic infection is the most important health issue worldwide.Coronavirus disease 2019 is a contagious disease characterized by severe acute respiratory syndrome coronavirus 2.To date,excluding the possibility of vaccination,against SARS-CoV-2 infection it is possible to act only with supportive care and non-virus-specific treatments in order to improve the patient’s symptoms.Pharmaceutical industry is investigating effects of medicinal plants,phytochemical extracts and aromatic herbs to find out natural substances which may act as antiviral drugs.Several studies have revealed how these substances may interfere with the viral life cycle,viral entry,replication,assembly or discharge,as well as virus-specific host targets or stimulating the host immune system,reducing oxidative stress and inflammatory response.A natural compound can be used as a prophylaxis by people professionally exposed to the risk of contagion and/or positive patients not in intensive care.The aim of this paper is to perform a narrative review of current literature in order to summarize the most studied natural compounds and their modes of action.

Photocatalytic degradation of organochlorine compounds using TiO_2 supported on fiberglass cloth

The feasibility of photocatalytic degradation of organochlorine compounds using TiO 2 supported on fiberglass cloth as a photocatalyst was studied. The results showed that 2 0×10 -4 mol/dm 3 of dichloroethylene, trichloroethylene and tetrachloroethylene can be completely photocatalytically degraded within a short time under illumination with a 375W medium pressure mercury lamp. The effects of parameters such as illumination time, initial concentration of organochlorine compounds, amount of air flow and concentration of H 2O 2 on the photocatalytic degradation were investigated. The TiO 2 supported on the fiberglass was not easily detached and after 500h illumination there was no significant loss of photocatalytic activity of TiO 2. The passible mechanisms of photocatalytic degradation were discussed.

Coexistence of positive and negative magnetic entropy changes in CeMn_2(Si_(1-x)Ge_x)_2 compounds

A series of CeMn2（Si1-xGex）2（x = 0.2, 0.4, 0.6, 0.8） compounds are prepared by the arc-melting method. All the samples primarily crystallize in the Th Cr2Si2-type structure. The temperature dependences of zero-field-cooled（ZFC） and FC magnetization measurements show a transition from antiferromagnetic（AFM） state to ferromagnetic（FM） state at room temperature with the increase of the Ge concentration. For x = 0.4, the sample exhibits two kinds of phase transitions with increasing temperature： from AFM to FM and from FM to paramagnetic（PM） at around TN-197 K and T C-300 K,respectively. The corresponding Arrott curves indicate that the AFM–FM transition is of first-order character and the FM–PM transition is of second-order character. Meanwhile, the coexistence of positive and negative magnetic entropy changes can be observed, which are corresponding to the AFM–FM and FM–PM transitions, respectively.

Synthesis and Herbicidal Activity of 1-Phenoxyacetyl-3-arylimidazolidine-2,4-dione Compounds

In order to find new herbicidal compounds, twelve novel 1-phenoxyacetyl-3-arylimidazolidine-2,4-dione compounds were designed and synthesized by substructure combination strategy using 3-arylimidazolidine-2,4-dione as the intermediate. The structures of the target compounds were confirmed by;H NMR and IR. The preliminary bioassay results showed that most of the target compounds had good inhibition against rape and barnyardgrass at the concentration of 100 mg/L. Especially, compound H3 and H5 showed 100% inhibitory activity against rape.