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A synthetic pathway to a novel 4-aryl-3,4-dihydro-2H-1,4-benzoxazine scaffold was developed and a series of compounds based on the scaffold were synthesised as potential anticancer agents. The 4-aryl-substituted compounds were prepared via Buchwald–Hartwig cross-coupling between substituted bromobenzenes and various 1,4-benzoxazines, which in turn were generated from a cascade hydrogenation and reductive amination one-pot reaction. These analogues exhibited moderate to good potency against various cancer cell lines. Structure–activity relationship analysis indicated that the inclusion of hydroxyl groups on ring A and ring B was beneficial to biological activity, while having a para-amino group on ring C significantly enhanced potency. Molecule 14f displayed the most potent anticancer activity (IC50 = 7.84–16.2 µM against PC-3, NHDF, MDA-MB-231, MIA PaCa-2, and U-87 MG cancer cell lines), indicating its potential as a lead compound for further structural optimisation. All the synthesised compounds were fully characterised with NMR, HMRS, and IR. The novel benzoxazine scaffold described in this study holds promise and deserves further in-depth studies. [ABSTRACT FROM AUTHOR]

Changes in human behaviors, such as reductions of physical contacts and the adoption of preventive measures, impact the transmission of infectious diseases considerably. Behavioral adaptations may be the result of individuals aiming to protect themselves or mere responses to public containment measures, or a combination of both. What drives autonomous and policy-induced adaptation, how they are related and change over time is insufficiently understood. Here, we develop a framework for more precise analysis of behavioral adaptation, focusing on confluence, interactions and time variance of autonomous and policy-induced adaptation. We carry out an empirical analysis of Germany during the fall of 2020 and beyond. Subsequently, we discuss how behavioral adaptation processes can be better represented in behavioral-epidemiological models. We find that our framework is useful to understand the interplay of autonomous and policy-induced adaptation as a "moving target". Our empirical analysis suggests that mobility patterns in Germany changed significantly due to both autonomous and policy-induced adaption, with potentially weaker effects over time due to decreasing risk signals, diminishing risk perceptions and an erosion of trust in the government. We find that while a number of simulation and prediction models have made great efforts to represent behavioral adaptation, the interplay of autonomous and policy-induced adaption needs to be better understood to construct convincing counterfactual scenarios for policy analysis. The insights presented here are of interest to modelers and policy makers aiming to understand and account for behaviors during a pandemic response more accurately. [ABSTRACT FROM AUTHOR]

Despite increased attention to the aquaculture environment, there is still a lack of understanding regarding the significance of water quality. To address this knowledge gap, this study utilized high-throughput sequencing of 16S rRNA and 18S rRNA to examine microbial communities (bacteria and eukaryotes) in coastal water over different months through long-term observations. The goal was to explore interaction patterns in the microbial community and identify potential pathogenic bacteria and red tide organisms. The results revealed significant differences in composition, diversity, and richness of bacterial and eukaryotic operational taxonomic units (OTUs) across various months. Principal coordinate analysis (PCoA) demonstrated distinct temporal variations in bacterial and eukaryotic communities, with significant differences (P = 0.001) among four groups: F (January-April), M (May), S (June–September), and T (October-December). Moreover, a strong association was observed between microbial communities and months, with most OTUs showing a distinct temporal preference. The Kruskal–Wallis test (P < 0.05) indicated significant differences in dominant bacterial and eukaryotic taxa among months, with each group exhibiting unique dominant taxa, including potential pathogenic bacteria and red tide organisms. These findings emphasize the importance of monitoring changes in potentially harmful microorganisms in aquaculture. Network analysis highlighted positive correlations between bacteria and eukaryotes, with bacteria playing a key role in network interactions. The key bacterial genera associated with other microorganisms varied significantly (P < 0.05) across different groups. In summary, this study deepens the understanding of aquaculture water quality and offers valuable insights for maintaining healthy aquaculture practices. Key points: • Bacterial and eukaryotic communities displayed distinct temporal variations. • Different months exhibited unique potential pathogenic bacteria and red tide organisms. • Bacteria are key taxonomic taxa involved in microbial network interactions. [ABSTRACT FROM AUTHOR]

• Enzyme-like catalyst S/CuMgAL-41 with confined space was successfully constructed by coprecipitation and thiourea modification. • The S/CuMgAl-41 is a bifunctional catalyst with both acidic and alkaline active site. • NO 3 2− and SO 4 2− come from calcination of CuMgAL-41 modified by thiourea not only enhance the electrophilicity of aldehydes but also anchor of p -NBD with NO 3 2− and SO 4 2− by hydrogen, thereby increase the selectivity of the entantiomers and ee value. • The asymmetric aldol addition of p -NBD with acetone catalyzed S/CuMgAL-41 is the synergistic result of diverse factors such as the acid-base active center on the S/CuMgAL-41, hydrogen bonding, confined effect, anchoring effect. In this study, a series catalysts of CuMgAl-LDHs were successfully prepared by co-precipitation method. Subsequently, the catalyst S/CuMgAl-41 was prepared by modifying CuMgAl-41 with thiourea. The physical and chemical properties of the catalyst were characterized by XRD, N 2 adsorption-desorption, SEM, ICP, FT-IR, TG-DSC and XPS. The catalytic performance of the catalyst was investigated. It showed that S/CuMgAl-41 exhibited synergistic catalytic activity with better ee value due to both acidic and alkaline active sites and confined spaces with proper interlayer spacing. When isopropyl alcohol was chosen as solvent, the S/CuMgAl-41 has the best catalytic effect for asymmetric aldol addition reaction between p -nitrobenzaldehyde (p -NBD) and acetone. Additionally, the process conditions for optimizing the asymmetric addition reaction have been thoroughly studied. It was found that S/CuMgAl-41 exhibited good reusability and stability. Moreover, the asymmetric aldol addition of acetone and p -NBD catalyzed by S/CuMgAL-41 can occur due to the result of synergistic effects of various factors, including acid-base active center, hydrogen bond, confined effect and anchoring effects between hydrotalcite laminate of S/CuMgAL-41. This novel catalytic design provides a new idea for asymmetric synthesis of p -NBD and acetone. In this study, a series catalysts of CuMgAl-LDHs were successfully prepared by co-precipitation method. Subsequently, the catalyst S/CuMgAl-41 was prepared by modifying CuMgAl-41 with thiourea. The physical and chemical properties of the catalyst were characterized by XRD, N 2 adsorption-desorption, SEM, ICP, FT-IR, TG-DSC and XPS. The catalytic performance of the catalyst was investigated. It showed that S/CuMgAl-41 exhibited synergistic catalytic activity with better ee value due to both acidic and alkaline active sites and confined spaces with proper interlayer spacing. When isopropyl alcohol was chosen as solvent, the S/CuMgAl-41 has the best catalytic effect for asymmetric aldol addition reaction between p -nitrobenzaldehyde (p -NBD) and acetone. Additionally, the process conditions for optimizing the asymmetric addition reaction have been thoroughly studied. It was found that S/CuMgAl-41 exhibited good reusability and stability. Moreover, the asymmetric aldol addition of acetone and p -NBD catalyzed by S/CuMgAL-41 can occur due to the result of synergistic effects of various factors, including acid-base active center, hydrogen bond, confined effect and anchoring effects between hydrotalcite laminate of S/CuMgAL-41. This novel catalytic design provides a new idea for asymmetric synthesis of p -NBD and acetone. [Display omitted] [ABSTRACT FROM AUTHOR]