RESUMEN
Background: Multi-source evidence fusion aims to process and combine evidence from different sources to support rational and reliable decision-making. The evidential reasoning (ER) approach is a helpful method to deal with information from multiple sources with uncertainty. It has been widely used in business analytics, healthcare management, and other fields for optimal decision-making. However, computerized implementation of the ER approach usually requires much expertise and effort. At present, some ER-based computerized tools, such as the intelligent decision system (IDS), have been developed by professionals to provide decision support. Nevertheless, IDS is not open source, and the user interfaces are a bit complicated for non-professional users. The lack of a free-to-access and easy-to-use computerized tool limits the application of ER. Methods: We designed and developed a Python package that could efficiently implement the ER approach for multi-source evidence fusion. Further, based on it, we built an online web-based system, providing not only real-time evidence fusion but also visualized illustrations of combined results. Finally, a comparison study between the Python package and IDS was conducted. Results: A Python package, ERTool, was developed to implement the ER approach automatically and efficiently. The online version of the ERTool provides a more convenient way to handle evidence fusion tasks. Conclusions: ERTool, compatible with Python 3 and can be installed through the Python Package Index at https://pypi.org/project/ERTool/, was developed to implement the ER approach. The ERTool has advantages in easy accessibility, clean interfaces, and high computing efficiency, making it a key tool for researchers and practitioners in multiple evidence-based decision-making. It helps bridge the gap between the algorithmic ER and its practical application and facilitates its widespread adoption in general decision-making contexts.
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The Pictet-Spengler type condensation of tryptamine derivatives and aldehydes or ketones is a classic reaction, and has been previously applied to assemble indole-annulated 5-, 6- and 8-membered heterocyclic rings. In this work, we further expand the synthetic scope of this reaction to the 7-membered azepino[4,5-b]indole skeleton through the direct C-H functionalization of 2-alkyl tryptamines, in which the non-activated methylene group participates in a 7-membered ring formation with aldehydes. By combining this unprecedented ring-forming process with a second C-H olefination at the same carbon, the concise total synthesis of natural products ngouniensines is achieved, demonstrating the synthetic potential of the developed chemistry in simplifying retrosynthetic disconnections.
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Report here is a Rh-catalyzed [4+3]/[4+1] cycloaddition of diene-vinylcyclopropanes (diene-VCPs) and carbon monoxide to access compounds with angular 5/7/5 tricyclic skeleton found in natural products. The reaction has broad scope and further transformation of the [4+3]/[4+1] cycloadduct was also investigated. How this [4+3]/[4+1] reaction occurs and why its competing [4+3] reaction is disfavored have been investigated computationally.
RESUMEN
PURPOSE: Nanomaterial-based drug-delivery systems allowing for effective targeted delivery of smallmolecule chemodrugs to tumors have revolutionized cancer therapy. Recently, as novel nanomaterials with outstanding physicochemical properties, boron nitride nanospheres (BNs) have emerged as a promising candidate for drug delivery. However, poor dispersity and lack of tumor targeting severely limit further applications. In this study, cancer cell-membrane biomimetic BNs were designed for targeted anticancer drug delivery. METHODS: Cell membrane extracted from HeLa cells (HM) was used to encapsulate BNs by physical extrusion. Doxorubicin (Dox) was loaded onto HM-BNs as a model drug. RESULTS: The cell-membrane coating endowed the BNs with excellent dispersibility and cytocompatibility. The drug-release profile showed that the Dox@HM-BNs responded to acid pH, resulting in rapid Dox release. Enhanced cellular uptake of Dox@HM-BNs by HeLa cells was revealed because of the homologous targeting of cancer-cell membranes. CCK8 and live/dead assays showed that Dox@HM-BNs had stronger cytotoxicity against HeLa cells, due to self-selective cellular uptake. Finally, antitumor investigation using the HeLa tumor model demonstrated that Dox@HM-BNs possessed much more efficient tumor inhibition than free Dox or Dox@BNs. CONCLUSION: These findings indicate that the newly developed HM-BNs are promising as an efficient tumor-selective drug-delivery vehicle for tumor therapy.