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关键词： Reference correlation   Viscosity   R1233zd(E)   R1336mzz(Z)   Corrélation de référence   Viscosité  

摘要：

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  Literature viscosity data for R1233zd(E) and R1336mzz(Z) were compiled and analyzed.
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  Reference viscosity correlations for both substances were developed.
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  These correlations were compared against experimental data.
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  The uncertainty of the proposed correlations was estimated.

关键词： W1-x-TMx alloys   Transition metal   Mechanical and thermodynamic properties   Molecular dynamics simulations   Tungsten alloy   Transition metal doping   Ductility improvement   Plasma-facing materials (PFMs)   Elastic properties   Thermal conductivity   Debye temperature  

摘要： The mechanical, thermodynamic and stability characteristics of W_1-x-TM_x alloys, where TM (Transition Metal) represents Cr, Fe, Mo, Ni, V, and x varies from 0 to 10%, were investigated using molecular dynamics (MD) simulation. Unlike most previous studies that focus on individual alloy systems, this work provides a unified and systematic comparison of multiple W–TM alloys within the same computational framework and concentration range, enabling direct ranking of alloying effects. The mechanical properties of tungsten-based alloys were assessed by examining the elastic constants, and moduli, B/G ratio, Cauchy pressure, while their thermal characteristics were investigated through the analysis of Debye temperature, minimum thermal conductivity, and melting point. Results show that the binary W-TM alloys exhibit lower mechanical strength than pure W, especially W-Cr, W-Ni, and W-Fe alloys. Nevertheless, incorporating TMs into W results in an increased B/G ratio and Poisson's ratio, suggesting that alloying with these metals can greatly improve the ductility of pure W. Notably, the metallic bonding of pure W is strengthened, particularly by doping W-Ni alloy. W-V exhibits a greater impact on the Debye temperature compared to other elements doped in W, demonstrating resistance to high temperatures. Furthermore, thermal conductivity of pure W is enhanced just by the addition of Mo, and TMs reduce the pure W melting point.

关键词： Anticancer   Docking   EGFR   Oxadiazole   Thiadiazine   Triazole  

摘要： A novel series of heterocyclic compounds was developed, synthesized, and assessed for their in vitro anticancer efficacy and EGFR inhibitory activities. The cytotoxicity of the synthesized compounds was evaluated against A-549 and NCI-H460 lung cancer cell lines, as well as normal HEK-293 cells, using erlotinib and doxorubicin as reference standards. Multiple compounds had considerable anticancer efficacy, with 8f and 8g identified as the most effective possibilities, with IC₅₀ values ranging from 2.53 to 6.51 μM, surpassing erlotinib. These compounds exhibited significant EGFR inhibition, with 8f (IC₅₀ = 0.26 μM) and 8g (IC₅₀ = 0.36 μM) surpassing the standard drug. Molecular docking analyses of the EGFR kinase domain demonstrated advantageous binding affinities and significant interactions with the hinge region residue MET769, corroborated by many hydrogen bonds and substantial π-interactions. A strong association between docking scores and biological activity was noted, validating EGFR as a potential molecular target. The findings designate 8f and 8g as prospective lead compounds for further development as EGFR-targeted anticancer therapies.

关键词： 1-methylnaphthalene (1-MN)   Hydrocracking   BTX   Composite catalysts   Graded catalysts  

摘要： Hydrocracking of polycyclic aromatic hydrocarbons (PAHs) to produce benzene, toluene, and xylene (BTX) represents an effective route for upgrading light cycle oil (LCO). However, this process tends to generate large amounts of alkylbenzenes with long or multiple side chains, making it difficult for a single catalyst to achieve a high BTX selectivity. Herein, composite zeolite catalysts and graded catalyst systems were designed and prepared for the hydrocracking of 1-methylnaphthalene (1-MN) to BTX at a temperature of 420 °C and a pressure of 6 MPa. The NiW/BY-20 catalyst (Beta-USY zeolite composite) promotes the ring-opening cracking of monocyclic aromatics and the side-chain cleavage of alkylbenzenes, increasing the BTX selectivity and yield to 37.4% and 36.4%, respectively. The NiW/BZ-20 catalyst (Beta-ZSM-5 zeolite composite), with its strong acidity and high dealkylation capability, further improves the BTX selectivity and yield to 38.1% and 37.3%, respectively. These results indicate that composite zeolite catalysts can synergistically integrate the catalytic properties of zeolites with distinct topologies, enabling a relay catalysis pathway. Further investigations reveal that the graded catalyst system optimizes the reaction process; the B-Y catalyst (NiW/Beta in the upper bed, NiW/USY in the lower bed) increases the BTX selectivity and yield to 38.5% and 38.3%, respectively. The optimized B-Y-Z three-bed graded catalyst (upper: NiW/Beta, middle: NiW/USY, and lower: NiW/ZSM-5) exhibits excellent compatibility with the reaction pathway for 1-MN hydrocracking to BTX. It enhances the tandem catalytic effect while maintaining high hydrocracking activity, achieving BTX selectivity and yield of 41.3% and 40.2%, respectively, with alkylbenzene selectivity reduced by 3.3%. This work demonstrates that the synergistic design of composite zeolites and graded catalysts can effectively boost the efficient and targeted conversion of PAHs to BTX, providing valuable insights

关键词： S−C coupling   Glycosyl 1-thioacetate   Aryl-iodide   Pd-catalyst recycling   Thioglucoside analogues of gliflozins  

摘要： In this study, we developed a green method for direct S−C cross-coupling between glycosyl 1-thioacetates and aryl iodides under mild conditions, affording S−C cross-coupling products in excellent yields. The cross-coupling reactions typically proceeded at 50 °C in DMF for 2–6 h, catalyzed by 2–8 mol% of PdG₃-XantPhos with K₂CO₃ as a base. We further demonstrated that the expensive Pd-catalyst and unreacted raw materials could be conveniently recycled through simple extraction and crystallization operations. The method was subsequently applied to the efficient synthesis of thioglucoside analogues of gliflozins, which are promising SGLT2 inhibitors with potential applications as antidiabetic drugs.

关键词： Alzheimer’s disease   apoptosis   mitochondria   neuroinflammation   oxidative stress   Parkinson’s disease   voltage-dependent anion channel 1  

摘要： Voltage-dependent anion channel 1 is an integral outer membrane protein of the mitochondria that governs apoptosis,enables metabolite exchange,and influences mitochondrial activity.In neurodegenerative diseases,such as amyotrophic lateral sclerosis,Parkinson's disease,Huntington's disease,and Alzheimer's disease,oxidative stress,neuroinflammation,and mitochondrial dysfunction are frequent features.Voltage-dependent anion channel 1 is a key regulator of these processes.This review described the structure,membrane topology,and physiological function of voltage-dependent anion channel 1 in neurons and glial cells.We emphasize how it affects mitophagy,oxidative damage,and changes in mitochondrial permeability.Special attention is focused on how voltagedependent anion channel 1 interacts with pathogenic proteins that damage mitochondrial integrity and cause neurotoxicity,including mutant huntingtin,phosphorylated tau,α-synuclein,amyloid-beta,and TAR DNA-binding protein 43.Furthermore,the paper examines the function of voltage-dependent anion channel 1 in astrocytic dysfunction and microglial activation,highlighting its impact on neuroinflammation.In a nutshell,we assess treatment strategies that target voltage-dependent anion channel 1,such as VBIT-4,a selective inhibitor of voltagedependent anion channel 1 oligomerization,and newer methods,including structure-based drug design and CRISPR/Cas9 regulation.Improved knowledge of the hinter voltage-dependent anion channel 1 of the molecular mechanism may allow for new therapeutic approaches in neurodegenerative diseases.

关键词： SOFC   PCHX   3D Printing   Catalyst reactor   Ammonia   Efficiency  

摘要： Ammonia is a promising hydrogen carrier for solid oxide fuel cells (SOFCs) due to its high hydrogen density, carbon-free nature, ease of storage and transport, and its ability to be efficiently decomposed or internally reformed at high temperatures for effective energy conversion. Nevertheless, there is a direct use of ammonia, which needs to be well thermally controlled and with highly efficient catalytic breakdown in order to enable efficient on-site hydrogen generation. This paper examines the thermodynamic feasibility of a new 3D-printed integrated heat exchanger and catalytic reactor that can utilise high-grade waste heat from SOFC exhaust for catalytic processes. The suggested design increases the fuel consumption, thermal efficiency, and the system life by decreasing thermal stresses. Ammonia is catalytically decomposed in the reactor into hydrogen and nitrogen, then it undergoes electrochemical conversion, which uses both anode and cathode exhaust gases as heat sources. This was discovered with the base SOFC system registering a power output of 1079.5 W at an operating temperature of 1023 K using a fuel utilization rate of 85% with an efficiency of 48.8%. The use of an in-built heat recovery catalytic reactor also increased the overall system efficiency to about 71.96%. The findings expressed in this work carry an adequate basis on which scalable, carbon-free, ammonia-fed SOFC-based energy solution can be developed to be used in maritime transport, data centers, and decentralizedoff-grid energy solutions.

关键词： Critical   Ising model   Mean-field   Semi-infinite   Surface  

摘要： The mean-field approximation is employed to examine a semi-infinite mixed-spin Ising system, where the bulk sites are populated by spin-1/2 particles and the surface sites by spin-3/2 particles. By considering the surface crystal field and the exchange interactions in the bulk, on the surface, and across the interface, we have constructed phase diagrams that illustrate the competition between bulk and surface interactions. These phase diagrams show the occurrence of ordinary, extraordinary, surface, and special second-order phase transitions, first-order phase transition, and multicritical points.

关键词： Abalone   Haliotid herpesvirus   Abalone viral ganglioneuritis   Immune priming   Antiviral strategy   Transgenerational  

摘要： Abalone (Haliotis spp.) are a high-valued molluscan species that is under threat by the deadly and re-emergent viral pathogen, Haliotid herpesvirus (HaHV-1). HaHV-1 and its associated disease, Abalone Viral Ganglioneuritis (AVG), have devastated wild and farmed abalone species in China, Taiwan, and Australia with no available treatments or preventatives. Abalone do not possess an adaptive immune system and therefore rely on their innate immune response for protection. Previous work has identified that abalone can be significantly protected against HaHV-1 infection if directly immune primed with the non-specific dsRNA immune stimulant, poly(I:C) prior to viral challenge, however, this is not feasible for use by aquaculture facilities that house millions of abalone. This current study investigated the effect of maternal transgenerational immune priming (TGIP) against HaHV-1 infection in blacklip, greenlip and hybrid offspring aged 6–12 months. We found that priming female broodstock with poly(I:C) 8-weeks, 4-weeks or 3-days prior to spawning did not provide progeny with protection against HaHV-1 upon reaching 12-months of age. Additionally, the offspring produced from primed mothers were significantly smaller (weight and length) when compared to those produced from unprimed mothers. Despite this result, this study showed that the handling and immune priming of female broodstock did not negatively affect spawning and emphasised the inherent resistance of abalone <1 year old to HaHV-1 infection. This work provides a first look into a potential farm-deployable anti-viral strategy against HaHV-1 for the abalone industry.

关键词： 1-w-cotorsion module   Prufer v-multiplication domain   w-FP-injective module  

摘要： In this paper, 1-w-cotorsion modules are introduced and studied. It is shown that an integral domain R is a PVMD if and only if 1-w-cotorsion R-modules are injective if and only if all 1-w-cotorsion R-modules are w-FP-injective.