Chemistry, Organic

化学,Organic
  • 文章类型: Historical Article

    W 2023 roku Instytut Chemii Bioorganicznej Polskiej Akademii Nauk w Poznaniu (ICHB PAN) obchodził 35-lecie istnienia. Dodatkowo afiliowane przy Instytucie Poznańskie Centrum Superkomputerowo-Sieciowe (PCSS) świętowało 30-lecie powołania przez Kolegium Rektorów miasta Poznania. Obchody podwójnego jubileuszu uświetniła międzynarodowa konferencja naukowa Understand and describe life, która odbyła się w stolicy Wielkopolski w dniach 14-15 listopada 2023 r. Przybyło na nią wielu znamienitych gości z kraju i zagranicy. Spotkanie było okazją do wymiany myśli i dyskusji na temat różnych aspektów życia, od molekularnego po populacyjny i wirtualny. Jubileusz to z jednej strony czas na podsumowanie tego, co udało się dokonać, z drugiej czas na refleksję na temat kierunków przyszłych działań. Niezwykła historia Instytutu, którą przybliżamy poniżej, jest przykładem łączenia naukowej pasji z wizją, determinacją i odwagą do podejmowania ambitnych wyzwań.
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  • 文章类型: Historical Article
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  • 文章类型: Journal Article
    计算有机化学已成为生物正交化学领域的重要工具,提供见解并帮助化学这一分支的发展。在这次审查中,我概述了这一领域的计算工作,包括探索使用的主要计算分析方法及其在生物正交化学主要领域的应用:(32)和[42]环加数。在(3+2)环加成的情况下,对电子效应的详细研究为环炔/1,3-偶极环加成反应的发展提供了信息。通过计算技术,研究人员已经找到了通过超共轭调节电子结构的方法,以增强反应而不损害稳定性。对于[4+2]环加法,失真/相互作用分析和能量分解分析等方法是有益的,导致开发具有改善反应性的生物正交反应物并产生正交反应对。最后,我谈到了化学信息学和机器学习的新兴领域,这有望在未来的反应发现和优化中发挥作用。
    Computational organic chemistry has become a valuable tool in the field of bioorthogonal chemistry, offering insights and aiding in the progression of this branch of chemistry. In this review, I present an overview of computational work in this field, including an exploration of both the primary computational analysis methods used and their application in the main areas of bioorthogonal chemistry: (3 + 2) and [4 + 2] cycloadditions. In the context of (3 + 2) cycloadditions, detailed studies of electronic effects have informed the evolution of cycloalkyne/1,3-dipole cycloadditions. Through computational techniques, researchers have found ways to adjust the electronic structure via hyperconjugation to enhance reactions without compromising stability. For [4 + 2] cycloadditions, methods such as distortion/interaction analysis and energy decomposition analysis have been beneficial, leading to the development of bioorthogonal reactants with improved reactivity and the creation of orthogonal reaction pairs. To conclude, I touch upon the emerging fields of cheminformatics and machine learning, which promise to play a role in future reaction discovery and optimization.
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  • 文章类型: Editorial
    天然产物是在自然界中发现的未经人类显着修饰的物质[。..].
    Natural products are substances found in nature that have not been significantly modified by humans [...].
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  • 文章类型: Journal Article
    一个简单的,可靠,用C5-羧基官能化的嘧啶核苷的克级化学合成的有效方法,丁腈,酯,酰胺,或脒,从未保护的尿苷和胞苷开始,被描述。该方案涉及在叔丁基过氧化氢存在下用Langlois试剂(CF3SO2Na)合成5-三氟甲基尿苷和5-三氟甲基胞苷,随后在碱性条件下将CF3基团转化为C5-C'碳取代基'。©2024Wiley期刊有限责任公司。基本方案1:5-三氟甲基尿苷(5-CF3U)和5-三氟甲基胞苷(5-CF3C)的合成和表征基本方案2:将5-CF3U和5-CF3C转化为几个C5取代的核糖核苷。
    A simple, reliable, and efficient method for the gram-scale chemical synthesis of pyrimidine nucleosides functionalized with C5-carboxyl, nitrile, ester, amide, or amidine, starting from unprotected uridine and cytidine, is described. The protocol involves the synthesis of 5-trifluoromethyluridine and 5-trifluoromethylcytidine with Langlois reagent (CF3 SO2 Na) in the presence of tert-butyl hydroperoxide and subsequent transformation of the CF3 group to the C5-C \'carbon substituents\' under alkaline conditions. © 2024 Wiley Periodicals LLC. Basic Protocol 1: Synthesis and characterization of 5-trifluoromethyluridine (5-CF3 U) and 5-trifluoromethylcytidine (5-CF3 C) Basic Protocol 2: Conversion of 5-CF3 U and 5-CF3 C to several C5-substituted ribonucleosides.
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  • 文章类型: Editorial
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  • 文章类型: Journal Article
    在本评论中,作者探讨了平衡医学教育中的高性能标准与这些标准对利益相关者的可接受性之间的张力(例如,学习者和患者)。然后,作者提供了一个镜头,可以通过它来考虑这种紧张关系,以及关注患者结果和学习者需求的前进道路。在考察这一现象时,作者认为,高性能标准往往是必要的。社会责任是医学教育的关键,公众要求培训计划为医生提供高质量的护理做好准备。医学院和住院医师计划,因此,需要严格的标准,以确保毕业生准备照顾病人。同时,学习者的经验是重要的考虑。确保绩效标准为利益相关者所接受,以支持评估决策的有效性。在考虑绩效标准时,公平也应该是计划评估和有效性论证的核心。目前,整个连续体的学习者都为下一阶段的培训做好了不同的准备,并且经常面临资源可用性方面的不平等,以满足高通过标准,这可能会导致学习者流失。许多面临这些不平等的学生来自代表性不足或处境不利的背景,对于确保多样化的医疗劳动力以满足患者和社会的需求至关重要。当这些学生挣扎时,它导致了更多社会经济和种族多样化申请人的管道泄漏。作者认为,四个关键因素可以平衡高性能标准和利益相关者可接受性之间的紧张关系:可接受和可辩护的标准,进程是时间可变的,为每个学习者量身定制的必要支持结构,和公平设计的评估系统。
    In this commentary, the authors explore the tension of balancing high performance standards in medical education with the acceptability of those standards to stakeholders (e.g., learners and patients). The authors then offer a lens through which this tension might be considered and ways forward that focus on both patient outcomes and learner needs.In examining this phenomenon, the authors argue that high performance standards are often necessary. Societal accountability is key to medical education, with the public demanding that training programs prepare physicians to provide high-quality care. Medical schools and residency programs, therefore, require rigorous standards to ensure graduates are ready to care for patients. At the same time, learners\' experience is important to consider. Making sure that performance standards are acceptable to stakeholders supports the validity of assessment decisions.Equity should also be central to program evaluation and validity arguments when considering performance standards. Currently, learners across the continuum are variably prepared for the next phase in training and often face inequities in resource availability to meet high passing standards, which may lead to learner attrition. Many students who face these inequities come from underrepresented or disadvantaged backgrounds and are essential to ensuring a diverse medical workforce to meet the needs of patients and society. When these students struggle, it contributes to the leaky pipeline of more socioeconomically and racially diverse applicants.The authors posit that 4 key factors can balance the tension between high performance standards and stakeholder acceptability: standards that are acceptable and defensible, progression that is time variable, requisite support structures that are uniquely tailored for each learner, and assessment systems that are equitably designed.
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  • 文章类型: Editorial
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  • 文章类型: Journal Article
    新的糖基化反应的发现仍然是碳水化合物化学中的主要挑战。传统的糖基化反应需要制备具有异头活性或潜在离去基团的糖供体。脱水糖基化是一种令人着迷的替代方法,可以直接从半缩醛形成糖苷键,消除了对(有时不稳定)离开团体的需要,并允许减少反应,工作,净化时间。尽管已经报道了一些有趣的脱水糖基化方法,为了与传统的化学糖基化竞争,需要开发更多的有效和立体选择性方法。在这里,使用碘组合的脱水过程,三苯基膦,描述了碱(DMAP或咪唑)。该方法允许从市售1-羟基糖基供体制备糖衍生物。反应在温和条件下通过原位形成异头碘化物中间体进行,which,与酒精反应后,得到相应的糖苷,直至定量收率并具有高α-立体选择性。
    The discovery of new glycosylation reactions is still a major challenge in carbohydrate chemistry. Traditional glycosylation reactions require the preparation of sugar donors with anomeric active or latent leaving groups. Dehydrative glycosylation is a fascinating alternative that enables the direct formation of the glycosidic bond from the hemiacetal, eliminating the need for (sometimes unstable) leaving groups, and allowing to reduce reaction, work-up, and purification times. Although some interesting methods of dehydrative glycosylation have been reported, in order to compete with conventional chemical glycosylation, a greater number of efficient and stereoselective methods need to be developed. Herein, a dehydrative procedure that uses a combination of iodine, triphenylphosphine, and a base (DMAP or imidazole) is described. This methodology allows for the preparation of sugar derivatives from commercially available 1-hydroxy glycosyl donors. The reaction takes place under mild conditions through the in situ-formation of an anomeric iodide intermediate, which, upon reaction with an alcohol, gives the corresponding glycosides up to quantitative yields and with high α-stereoselectivity.
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  • 文章类型: Editorial
    天然化合物的化学启发并仍然指导着现代化学科学的几个分支[。..].
    The chemistry of natural compounds inspired and still guides several branches of modern chemical sciences [...].
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