building block

积木
  • 文章类型: Journal Article
    通过Knoevenagel缩合反应合成了一种新型的溴噻吩功能化的BF2-姜黄素(BTC-BF2)。通过1HNMR确定BTC-BF2的结构,13CNMR和HRMS。此外,通过分子间的多个C-H··F氢键相互作用,成功获得了近共面的单晶结构,并形成了网状结构。不出所料,制备的BTC-BF2在具有不同极性和强烈红色固态荧光的溶剂中表现出溶剂依赖性光物理性质。DFT计算进一步验证了其固有电子特征与光物理性质之间的关系。对于其潜在的应用方面,BTC-BF2在530nm绿光照射下表现出一定的单线态氧生成能力。此外,BTC-BF2可用作多功能结构单元,以构建新型远红或NIRBF2-类姜黄素复合物,用于广泛的生物学应用。本文受版权保护。保留所有权利。
    A novel bromothiophene-functionalized BF2-curcuminoid (BTC-BF2) is synthesized by Knoevenagel condensation reaction. The structure of BTC-BF2 is determined by 1H-nuclear magnetic resonance (1H NMR), 13C-nuclear magnetic resonance (13C NMR), and high-resolution mass spectrometry (HRMS). Moreover, a nearly coplanar single crystal structure is successfully obtained and form a mesh structure through intermolecular multiple C─H···F hydrogen bond interactions. As expected, as-prepared BTC-BF2 exhibits solvent-dependent photophysical properties in solvents with different polarity and an intense red solid-state fluorescence. Density functional theory calculations further verify the relationships between its intrinsic electronic features and the photophysical properties. For its potential application aspect, BTC-BF2 shows a certain ability to generate singlet oxygen under irradiation with 530 nm green light. Moreover, BTC-BF2 can be utilized as versatile building block to construct novel far-red or NIR BF2-curcuminoid complexes for widely biological applications.
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  • 文章类型: Journal Article
    环状甘氨酸-脯氨酸(cGP),一种普遍的海洋环状二肽,拥有独特的吡咯烷-2,5-二酮支架,这有助于cGP的化学多样性和广泛的生物活性。来自海洋相关的各种来源,内源性生物,综述了cGP的合成途径和体内外活性。还探讨了cGP的潜在应用。特别是,cGP在调节胰岛素样生长因子-1稳态中的关键作用,增强神经保护作用,描述了在中枢神经系统疾病中改善神经营养功能的方法。还强调了这种内源性环肽在药物开发和医疗保健计划中的潜在作用。这篇评论强调了cGP作为药物发现中具有特殊药物性质和安全性的基本组成部分的重要性。通过阐明CGP的重要价值,这篇综述旨在重新激发人们对海洋药物化学和合成生物学中cGP相关研究的兴趣。
    Cyclic glycine-proline (cGP), a prevalent marine cyclic dipeptide, possesses a distinct pyrrolidine-2,5-dione scaffold, which contributes to the chemical diversity and broad bioactivities of cGP. The diverse sources from marine-related, endogenous biological, and synthetic pathways and the in vitro and in vivo activities of cGP are reviewed. The potential applications for cGP are also explored. In particular, the pivotal roles of cGP in regulating insulin-like growth factor-1 homeostasis, enhancing neuroprotective effects, and improving neurotrophic function in central nervous system diseases are described. The potential roles of this endogenous cyclic peptide in drug development and healthcare initiatives are also highlighted. This review underscores the significance of cGP as a fundamental building block in drug discovery with exceptional drug-like properties and safety. By elucidating the considerable value of cGP, this review aims to reignite interest in cGP-related research within marine medicinal chemistry and synthetic biology.
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  • 文章类型: Journal Article
    5-(卤代甲基)糠醛(XMFs,X=F,Cl,Br,I),包括5-(氯甲基)糠醛(CMF),5-(溴甲基)糠醛(BMF),5-(碘甲基)糠醛(IMF),和5-(氟甲基)糠醛(FMF),生物质代表了可再生化学和工程的关键进步。利用废弃生物质作为原材料为化石资源提供了可持续的替代方案,缓解环境退化和解决紧迫的能源需求。CMF和BMF,其特征在于它们比羟基类似物具有增强的稳定性,5-(羟甲基)糠醛(HMF),展示作为扩大规模和商业化的可再生基石的承诺。研究兴趣的激增,特别是从2010年到2024年,反映出人们越来越认识到XMFs作为新型平台化学品的潜力。这篇综述重点介绍了XMF合成方法的演变,专注于它们从糖类和木质纤维素生物质的转化。对机械见解和实验设置进行了审查,以了解工业可行性和可扩展性,阐明技术挑战和进一步研究的途径。分析强调了XMF在向可持续化学生产过渡中的新兴意义,强调流程优化和机械理解对商业部署的重要性。
    The synthesis of 5-(halomethyl)furfurals (XMFs, X = F, Cl, Br, I), including 5-(chloromethyl)furfural (CMF), 5-(bromomethyl)furfural (BMF), 5-(iodomethyl)furfural (IMF), and 5-(fluoromethyl)furfural (FMF), from biomass represents a pivotal advancement in renewable chemistry and engineering. Harnessing waste biomass as a raw material offers a sustainable alternative to fossil-based resources, mitigating environmental degradation and addressing pressing energy needs. CMF and BMF, characterized by their enhanced stability over the hydroxyl analog, 5-(hydroxymethyl)furfural (HMF), exhibit promise as renewable building blocks for scale-up and commercialization. The surge in research interest, particularly from 2010 to 2024, reflects a growing recognition of XMFs\' potential as novel platform chemicals. This review highlights the evolution of XMF synthesis methods, focusing on their transformation from saccharides and lignocellulosic biomass. Mechanistic insights and experimental setups are scrutinized for industrial feasibility and scalability, shedding light on technical challenges and avenues for further research. The analysis underscores the burgeoning significance of XMFs in the transition towards sustainable chemical production, emphasizing the importance of process optimization and mechanistic understanding for commercial deployment.
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  • 文章类型: Journal Article
    淀粉的回生对于淀粉食品的质地和营养价值至关重要。有越来越多的证据强调淀粉的精细结构对淀粉回生的显著影响。由于淀粉精细结构的复杂性,研究淀粉回生的结构-性质关系是一个艰巨的挑战。多年来已经提出了几种模型来促进对淀粉结构的理解。在这次审查中,从淀粉模型的角度来看,复杂的结构-性质关系分为不同类型的结构参数与淀粉回生性能之间的相关性。具有DP24-36和DP≥36的支链淀粉B链表现出更高的形成有序晶体结构的趋势,促进淀粉回生.具有DP6-12的链主要抑制淀粉回生。基于积木骨干模型,较长的嵌段链间长度(IB-CL)增强淀粉的重排和重新排序。数学参数化模型揭示了支链淀粉中链之间的正相关关系,直链淀粉短链,和直链淀粉长链与淀粉回生。该评论是根据淀粉模型构建的;这有助于明确和全面地阐明结构-性质关系,从而为淀粉的选择和利用提供有价值的参考。
    The retrogradation of starch is crucial for the texture and nutritional value of starchy foods products. There is mounting evidence highlighting the significant impact of starch\'s fine structures on starch retrogradation. Because of the complexity of starch fine structure, it is a formidable challenge to study the structure-property relationship of starch retrogradation. Several models have been proposed over the years to facilitate understanding of starch structure. In this review, from the perspective of starch models, the intricate structure-property relationship is sorted into the correlation between different types of structural parameters and starch retrogradation performance. Amylopectin B chains with DP 24-36 and DP ≥36 exhibit a higher tendency to form ordered crystalline structures, which promotes starch retrogradation. The chains with DP 6-12 mainly inhibit starch retrogradation. Based on the building block backbone model, a longer inter-block chain length (IB-CL) enhances the realignment and reordering of starch. The mathematical parameterization model reveals a positive correlation between amylopectin medium chains, amylose short chains, and amylose long chains with starch retrogradation. The review is structured according to starch models; this contributes to a clear and comprehensive elucidation of the structure-property relationship, thereby providing valuable references for the selection and utilization of starch.
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  • 文章类型: Journal Article
    对于许多应用,小颗粒淀粉(SGS)具有优于常规大小的淀粉的技术优势。该研究比较了三种SGS的颗粒特征(来自a菜,藜麦,和芋)与玉米和马铃薯淀粉一起使用,并揭示了它们的分子基础。结果表明,淀粉颗粒的超分子结构与颗粒大小不一定相关。由于其粒径小,而且超分子结构的缺陷,因此,a菜和藜麦淀粉的酸水解速度快。a菜和藜麦支链淀粉的外部和内部链长度较短。相比之下,香芋淀粉颗粒的颗粒状结构更稳定,部分原因是香芋支链淀粉的外链长度较长。支链淀粉中支链淀粉中支链亚基(通过使用解淀粉芽孢杆菌的α-淀粉酶释放)的分子组成的比较表明,a菜和藜麦淀粉在超分子水平上的显着异质降解。
    Small-granule starches (SGSs) have technological advantages over starches of conventional sizes for many applications. The study compared the granular characteristics of three SGSs (from amaranth, quinoa, and taro) with those of maize and potato starches and revealed their molecular basis. The results indicated that the supramolecular architecture of starch granules was not necessarily correlated with granule size. Acid hydrolysis of amaranth and quinoa starches was fast due to not only their small granule sizes but also the defects in the supramolecular structure, to which short external and internal chain lengths of amaranth and quinoa amylopectins contributed. By comparison, the granular architecture of taro starch granules was more stable partly due to the longer external chain length of taro amylopectin. Comparison of the molecular composition of branched subunits (released by using α-amylase of Bacillus amyloliquefaciens) in amylopectins and that in lintnerized starches suggested a significant heterogeneous degradation of amaranth and quinoa starches at supramolecular levels.
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  • 文章类型: Journal Article
    从土壤中筛选出一株高效产酯酶菌,该方法可以从D-高丝氨酸内酯的外消旋物中选择性地水解D-高丝氨酸内酯,以48%的产率达到99%以上的e.e。然后将L-高丝氨酸内酯结构单元转化为L-α-氨基-γ-溴丁酸手性嵌段,与各种亲核试剂模块反应可用于制备L-γ-取代的α-氨基酸,如L-硒代蛋氨酸,L-蛋氨酸,L-草铵膦和L-硒代半胱氨酸。其优点包括生物催化拆分反应的高选择性,产品光学纯度高,D-底物的外消旋循环和模块化反应,简化了这些产品的生产工艺,突出了生物制造的力量。
    A strain high-performance of esterase producing bacteria was screened from soil, which could selectively hydrolyze D-homoserine lactone from its racemate to achieve the resolution of L- homoserine lactone with more than 99% e.e. in 48% yield. L-homoserine lactone building block was then converted to L-α-amino-γ-bromobutyronic acid chiral blocks, which reacted with various nucleophilic reagent modules could to be applied to prepare L-γ- substituted α-amino acids such as L-selenomethionine, L-methionine, L-glufosinate and L-selenocystine. Its advantages included high selectivity of biocatalytic resolution reactions, high optical purity of products, racemic recycle of D-substrates and modular reaction, which simplified the production process of these products and highlighted the power of biological manufacturing.
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  • 文章类型: Journal Article
    在过去的60年中,嘧啶已成为许多药物分子中越来越重要的核心结构。本文调查了嘧啶在药物发现疗法中产生重大影响的最新领域,包括抗感染药,抗癌,免疫学,免疫肿瘤学,神经系统疾病,慢性疼痛,和糖尿病。本文介绍了药物的合成,并强调了生物靶标在疾病模型中的作用。此外,生物效力,讨论了ADME特性和药代动力学/药效学(如果有)。这项调查试图证明嘧啶类药物的多功能性,不仅因为它们的效力和亲和力,而且还因为嘧啶作为苯基和其他芳香族π系统的生物等排体的改善的药物化学性质。希望本文将为考虑嘧啶支架作为未来候选药物的化学型的研究人员提供见解,以抵消以前认为无法治疗的医疗状况。
    Pyrimidines have become an increasingly important core structure in many drug molecules over the past 60 years. This article surveys recent areas in which pyrimidines have had a major impact in drug discovery therapeutics, including anti-infectives, anticancer, immunology, immuno-oncology, neurological disorders, chronic pain, and diabetes mellitus. The article presents the synthesis of the medicinal agents and highlights the role of the biological target with respect to the disease model. Additionally, the biological potency, ADME properties and pharmacokinetics/pharmacodynamics (if available) are discussed. This survey attempts to demonstrate the versatility of pyrimidine-based drugs, not only for their potency and affinity but also for the improved medicinal chemistry properties of pyrimidine as a bioisostere for phenyl and other aromatic π systems. It is hoped that this article will provide insight to researchers considering the pyrimidine scaffold as a chemotype in future drug candidates in order to counteract medical conditions previously deemed untreatable.
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  • 文章类型: Journal Article
    重要的是要认识到动物中常见的单糖的多样性,植物,和微生物,以及以视觉上有趣的风格组织它们,也强调它们的相似性和相关性。本文讨论了积木的性质,单糖,和单糖衍生物-讨论自然界中发现的“糖分子”时常用的术语。为了帮助了解单糖多样性,这里是单糖周期表。给出了表的构建和104个单糖的选择的基本原理,这主要是基于KEGG和SNFG单糖网站上的那些,并包括随着新发现而扩大的空间。该表应具有教育价值,旨在吸引那些不太熟悉糖学的人的注意力并培养他们的想象力,并鼓励研究人员更深入地研究这个迷人的领域。
    It is important to recognize the great diversity of monosaccharides commonly encountered in animals, plants, and microbes, as well as to organize them in a visually interesting style that also emphasizes their similarities and relatedness. This article discusses the nature of building blocks, monosaccharides, and monosaccharide derivatives-terms commonly used in discussing \"glycomolecules\" found in nature. To aid in awareness of monosaccharide diversity, here is presented a Periodic Table of Monosaccharides. The rationale is given for construction of the Table and the selection of 103 monosaccharides, which is largely based on those presented in the KEGG and SNFG websites of monosaccharides, and includes room to enlarge as new discoveries are made. The Table should have educational value and is intended to capture the attention and foster imagination of those not very familiar with glycosciences, and encourage researchers to delve deeper into this fascinating area.
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  • 文章类型: Journal Article
    具有纳米级精确调制结构的金属纳米团簇使我们有机会在原子水平上合成和研究一维纳米材料。在这里,它实现了将积木纳米团簇“Au13Cd2”选择性一维生长为三个结构不同的纳米团簇:“手拉手”(Au13Cd2)2O,“头对头”Au25,和“肩并肩”Au33。详细的研究进一步揭示了生长机制和与生长相关的可调特性。这项工作为纳米团簇的可预测结构转变和一维纳米材料的原子精确构建提供了新的线索。
    Metal nanoclusters with precisely modulated structures at the nanoscale give us the opportunity to synthesize and investigate 1D nanomaterials at the atomic level. Herein, it realizes selective 1D growth of building block nanocluster \"Au13 Cd2 \" into three structurally different nanoclusters: \"hand-in-hand\" (Au13 Cd2 )2 O, \"head-to-head\" Au25 , and \"shoulder-to-shoulder\" Au33 . Detailed studies further reveals the growth mechanism and the growth-related tunable properties. This work provides new hints for the predictable structural transformation of nanoclusters and atomically precise construction of 1D nanomaterials.
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  • 文章类型: Journal Article
    合成通用P-立体异构结构单元的催化不对称方法为P-手性磷化合物的多样性取向制备提供了一种有效且实用的方法。在这里,我们报道了第一个镍催化的合成P-立体异构体仲氨基膦-硼烷通过伯膦不对称加成到偶氮化合物。我们进一步证明,这些磷酰肼结构单元上的P-H和P-N键可以顺序和立体特异性地反应,以获得具有结构多样性的各种P-立体异构化合物。
    Catalytic asymmetric methods for the synthesis of synthetically versatile P-stereogenic building blocks offer an efficient and practical approach for the diversity-oriented preparation of P-chiral phosphorus compounds. Herein, we report the first nickel-catalyzed synthesis of P-stereogenic secondary aminophosphine-boranes by the asymmetric addition of primary phosphines to azo compounds. We further demonstrate that the P-H and P-N bonds on these phosphanyl hydrazine building blocks can be reacted sequentially and stereospecifically to access various P-stereogenic compounds with structural diversity.
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