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The Hamilton Receptor in Supramolecular Polymer Sciences 超分子聚合物科学中的汉密尔顿受体。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-07-20 DOI: 10.1007/s41061-024-00471-y
Shafieq Ahmad Wagay, Rashid Ali

Supramolecular polymers are polymeric materials of monomeric fragments, held jointly by reversible and directional non-covalent interactions such as multiple hydrogen-bonding, charge transfer effects, host–guest interactions, metal coordination, and aromatic stacking. This review article on the Hamilton-based supramolecular polymers aims to shed light on the molecular recognition achievements by the Hamilton-based polymeric systems, evaluate Hamilton receptor’s future prospects, and capitalize its potential applications in supramolecular chemistry. To the best of our knowledge, this is the first elaborative and sole manuscript in which polymeric Hamilton receptors are being exposed in detail. The first portion of this manuscript is related to the importance and urgency of polymers along with the historic background of Hamilton receptors. The middle section discloses the potential applications of Hamilton-type receptors in various fields, e.g., dendrimers, mechanically polymeric rotaxanes, and self-assemblies. The final section of the manuscript discloses the future aspects and the importance of novel polymer-based Hamilton-type receptors in the modern era. We believe that this first review in this emerging yet immature field will be useful to inspire scientists around the world to find the unseen future prospects, thereby boosting the field related to this valued artificial receptor in the province of supramolecular chemistry and also in other domains of scientific fields and technology, as well.

Graphical Abstract

超分子聚合物是由单体片段组成的高分子材料,通过可逆和定向的非共价相互作用,如多重氢键、电荷转移效应、主客体相互作用、金属配位和芳香堆积等,将单体片段联合在一起。这篇关于汉密尔顿基超分子聚合物的综述文章旨在揭示汉密尔顿基聚合物体系的分子识别成果,评估汉密尔顿受体的未来前景,以及其在超分子化学中的潜在应用。据我们所知,这是第一篇详细介绍聚合物汉密尔顿受体的手稿,也是唯一一篇详细介绍聚合物汉密尔顿受体的手稿。手稿的第一部分介绍了聚合物的重要性和紧迫性以及汉密尔顿受体的历史背景。中间部分介绍了汉密尔顿受体在各个领域的潜在应用,如树枝状聚合物、机械聚合物轮烷和自组装。手稿的最后一部分介绍了基于新型聚合物的汉密尔顿型受体在当代的前景和重要性。我们相信,这篇在这一新兴但尚不成熟领域的首次综述将有助于启发世界各地的科学家去寻找未知的未来前景,从而推动超分子化学领域以及其他科学领域和技术领域与这一有价值的人工受体相关的领域的发展。
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引用次数: 0
Review on Synthesis of 2-(2-Hydroxyaryl) Benzothiazoles (HBT) for Excited-State Intra-molecular Proton Transfer (ESIPT)-Based Detection of Ions and Biomolecules 基于激发态分子内质子转移 (ESIPT) 的离子和生物大分子检测的 2-(2-羟基芳基) 苯并噻唑 (HBT) 的合成综述。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-07-18 DOI: 10.1007/s41061-024-00472-x
Amandeep Kaur, R. P. Chaudhary

In this review, we present a systematic and comprehensive summary of the recent developments in the synthetic strategies of 2-(2-hydroxyarylsubstituted)-benzothiazole (HBT) framework along with incorporation of various substituents on phenolic and benzothiazole rings which affect the emission process. The literature, spanning the years 2015–2024, on excited-state intramolecular proton transfer (ESIPT)-based studies of HBT derivatives comprising the effects of solvent polarity, substituents, and extended conjugation on fluorophores has been searched. ESIPT, intramolecular charge transfer, and aggregation-induced emissions enable these fluorescent probes to specifically interact with analytes, thereby altering their luminescence characteristics to achieve analyte detection. These fluorescent probes exhibit large Stokes shifts, high quantum yields, and excellent color transitions. Finally, the applications of HBTs as ESIPT-based fluorescent probes for the detection of cations, anions, and biomolecules have been summarized. We anticipate that this review will provide a comprehensive overview of the current state of research in this field and encourage researchers to develop novel ESIPT-based fluorophores with new applications.

在这篇综述中,我们系统而全面地总结了 2-(2-羟基芳基取代)-苯并噻唑(HBT)框架合成策略的最新进展,以及在酚醛环和苯并噻唑环上加入各种取代基对发射过程的影响。我们搜索了 2015-2024 年间基于激发态分子内质子转移(ESIPT)研究 HBT 衍生物的文献,包括溶剂极性、取代基和扩展共轭对荧光团的影响。ESIPT、分子内电荷转移和聚集诱导发射使这些荧光探针能够与分析物发生特异性相互作用,从而改变其发光特性,实现分析物检测。这些荧光探针具有较大的斯托克斯位移、较高的量子产率和出色的颜色转换。最后,我们总结了 HBT 作为基于 ESIPT 的荧光探针在检测阳离子、阴离子和生物分子方面的应用。我们希望这篇综述能全面概述该领域的研究现状,并鼓励研究人员开发基于 ESIPT 的新型荧光探针,以实现新的应用。
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引用次数: 0
Advances in Black Phosphorus Quantum Dots for Cancer Research: Synthesis, Characterization, and Applications 用于癌症研究的黑磷量子点的进展:合成、表征和应用》。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-07-15 DOI: 10.1007/s41061-024-00470-z
Elham Einafshar, Ahmad Ghorbani

In the past few years, there has been notable advancement in nanotechnology, leading to the development of new materials with potential uses in the medical field, especially in cancer diagnosis, imaging, and therapy. Black phosphorus quantum dots (BPQDs) are one of the emerging nanomaterials that have generated interest due to their unique properties and potential in biomedical applications. This review aims to give a detailed overview of how BPQDs are synthesized, characterized, and utilized. The synthesis methods of BPQDs are discussed, with a focus on obtaining size-controlled and high-quality BPQDs. Two main approaches, top-down exfoliation and bottom-up techniques, are described. Despite advancements in synthesis, there are challenges hindering the practical application of BPQDs, such as poor dispersion and short durability. To address these issues, techniques to enhance biocompatibility and reduce potential toxicity, such as surface modifications, are discussed. BPQDs have potential in bioimaging as they offer higher resolution and sensitivity compared with traditional imaging agents. Their small size and expansive surface area make them suitable for drug delivery systems, enabling the effective incorporation of therapeutic substances. By functionalizing BPQDs with targeting ligands, they can selectively bind to cancer cells or tissue, making them ideal for targeted therapies. Moreover, BPQDs can serve as biosensors to detect biomarkers in bodily fluids, further expanding their biomedical applications. However, before they can be successfully translated into clinical settings, further research is needed to optimize the synthesis methods of BPQDs and evaluate their long-term safety profiles. Nonetheless, with ongoing research and development, the medical uses of BPQDs are expected to expand.

Graphic Abstract

在过去的几年里,纳米技术取得了显著的进步,开发出了在医疗领域,尤其是癌症诊断、成像和治疗方面具有潜在用途的新材料。黑磷量子点(BPQDs)是新兴的纳米材料之一,因其独特的性质和在生物医学领域的应用潜力而备受关注。本综述旨在详细介绍如何合成、表征和利用 BPQDs。文章讨论了 BPQDs 的合成方法,重点是如何获得尺寸可控的高质量 BPQDs。介绍了两种主要方法,即自上而下的剥离和自下而上的技术。尽管合成技术不断进步,但 BPQDs 的实际应用仍面临一些挑战,如分散性差和耐久性短。为了解决这些问题,我们讨论了增强生物相容性和降低潜在毒性的技术,如表面修饰。与传统成像剂相比,BPQDs 具有更高的分辨率和灵敏度,因此具有生物成像的潜力。BPQDs 体积小、表面积大,因此适合用于药物输送系统,能够有效地将治疗物质融入其中。通过用靶向配体对 BPQDs 进行功能化,它们可以选择性地与癌细胞或组织结合,从而成为靶向疗法的理想选择。此外,BPQDs 还可作为生物传感器检测体液中的生物标记物,进一步拓展其生物医学应用。不过,在成功应用于临床之前,还需要进一步研究优化 BPQDs 的合成方法并评估其长期安全性。尽管如此,随着研究和开发的不断深入,BPQDs 的医疗用途有望扩大。
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引用次数: 0
Mutually Orthogonal Bioorthogonal Reactions: Selective Chemistries for Labeling Multiple Biomolecules Simultaneously 相互正交的生物正交反应:同时标记多种生物分子的选择性化学。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-07-06 DOI: 10.1007/s41061-024-00467-8
Kevin R. Venrooij, Lucienne de Bondt, Kimberly M. Bonger

Bioorthogonal click chemistry has played a transformative role in many research fields, including chemistry, biology, and medicine. Click reactions are crucial to produce increasingly complex bioconjugates, to visualize and manipulate biomolecules in living systems and for various applications in bioengineering and drug delivery. As biological (model) systems grow more complex, researchers have an increasing need for using multiple orthogonal click reactions simultaneously. In this review, we will introduce the most common bioorthogonal reactions and discuss their orthogonal use on the basis of their mechanism and electronic or steric tuning. We provide an overview of strategies to create reaction orthogonality and show recent examples of mutual orthogonal chemistry used for simultaneous biomolecule labeling. We end by discussing some considerations for the type of chemistry needed for labeling biomolecules in a system of choice.

生物正交点击化学在化学、生物学和医学等多个研究领域发挥了变革性作用。点击反应对于生产日益复杂的生物共轭物、可视化和操纵活体系统中的生物分子以及生物工程和给药领域的各种应用至关重要。随着生物(模型)系统越来越复杂,研究人员越来越需要同时使用多种正交点击反应。在本综述中,我们将介绍最常见的生物正交反应,并根据其机理和电子或立体调谐讨论其正交用途。我们将概述创造反应正交性的策略,并展示最近用于同时标记生物分子的相互正交化学实例。最后,我们将讨论在所选体系中标记生物大分子所需的化学类型的一些注意事项。
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引用次数: 0
The State-of-the-Art Overview to Application of Deep Learning in Accurate Protein Design and Structure Prediction 深度学习在精确蛋白质设计和结构预测中的应用现状概述。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-07-04 DOI: 10.1007/s41061-024-00469-6
Saber Saharkhiz, Mehrnaz Mostafavi, Amin Birashk, Shiva Karimian, Shayan Khalilollah, Sohrab Jaferian, Yalda Yazdani, Iraj Alipourfard, Yun Suk Huh, Marzieh Ramezani Farani, Reza Akhavan-Sigari

In recent years, there has been a notable increase in the scientific community's interest in rational protein design. The prospect of designing an amino acid sequence that can reliably fold into a desired three-dimensional structure and exhibit the intended function is captivating. However, a major challenge in this endeavor lies in accurately predicting the resulting protein structure. The exponential growth of protein databases has fueled the advancement of the field, while newly developed algorithms have pushed the boundaries of what was previously achievable in structure prediction. In particular, using deep learning methods instead of brute force approaches has emerged as a faster and more accurate strategy. These deep-learning techniques leverage the vast amount of data available in protein databases to extract meaningful patterns and predict protein structures with improved precision. In this article, we explore the recent developments in the field of protein structure prediction. We delve into the newly developed methods that leverage deep learning approaches, highlighting their significance and potential for advancing our understanding of protein design.

近年来,科学界对合理蛋白质设计的兴趣明显增加。设计出一种能可靠折叠成所需三维结构并展现预期功能的氨基酸序列的前景令人着迷。然而,这项工作的一大挑战在于如何准确预测最终的蛋白质结构。蛋白质数据库的指数级增长推动了这一领域的进步,而新开发的算法则突破了以往结构预测的极限。其中,使用深度学习方法而非蛮力方法已成为一种更快、更准确的策略。这些深度学习技术利用蛋白质数据库中的海量数据提取有意义的模式,并以更高的精度预测蛋白质结构。在本文中,我们将探讨蛋白质结构预测领域的最新进展。我们深入探讨了利用深度学习方法新开发的方法,强调了这些方法在推进我们对蛋白质设计的理解方面的意义和潜力。
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引用次数: 0
Significance of Chalcone Scaffolds in Medicinal Chemistry Chalcone 支架在药物化学中的意义。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-06-27 DOI: 10.1007/s41061-024-00468-7
Rishav Mazumder,  Ichudaule, Ashmita Ghosh, Subrata Deb, Rajat Ghosh

Chalcone is a simple naturally occurring α,β-unsaturated ketone with biological importance, which can also be easily synthesized in laboratories by reaction between two aromatic scaffolds. In plants, chalcones occur as polyphenolic compounds of different frameworks which are bioactive molecules that have been in traditional medicinal practice for many years. Chalcone-based lead molecules have been developed, possessing varied potentials such as antimicrobial, antiviral, anti-inflammatory, anticancer, anti-oxidant, antidiabetic, antihyperurecemic, and anti-ulcer effects. Chalcones contribute considerable fragments to give important heterocyclic molecules with therapeutic utilities targeting various diseases. These characteristic features have made chalcone a topic of interest among researchers and have attracted investigations into this widely applicable structure. This review highlights the extensive exploration carried out on the synthesis, biotransformations, chemical reactions, hybridization, and pharmacological potentials of chalcones, and aims to provide an extensive, thorough, and critical review of their importance, with emphasis on their properties, chemistry, and biomedical applications to boost future investigations into this potential scaffold in medicinal chemistry.

Graphical Abstract

This review highlights chalcones derived from natural sources, their synthetic approaches, biotransformation,chemical reactions undergone, pharmacological potentials, and their significance in drug discovery and drugdesign.

查尔酮是一种简单的天然α,β-不饱和酮,具有重要的生物学意义,也可以通过两个芳香族支架之间的反应在实验室中轻松合成。在植物中,查耳酮以不同结构的多酚化合物形式出现,是具有生物活性的分子,多年来一直被用于传统医药中。查耳酮类先导分子已被开发出来,具有抗菌、抗病毒、抗炎、抗癌、抗氧化、抗糖尿病、抗高血压和抗溃疡等多种功效。查耳酮可提供大量片段,形成重要的杂环分子,具有针对各种疾病的治疗作用。这些特点使查尔酮成为研究人员感兴趣的话题,并吸引了人们对这种广泛应用的结构进行研究。这篇综述重点介绍了在查耳酮的合成、生物转化、化学反应、杂交和药理潜力等方面进行的广泛探索,旨在对其重要性进行广泛、深入和批判性的评述,重点关注其性质、化学性质和生物医学应用,以推动未来对这一药物化学潜在支架的研究。
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引用次数: 0
Unraveling the Mechanisms of Cannabidiol’s Pharmacological Actions: A Comprehensive Research Overview 揭示大麻二酚的药理作用机制:研究综述
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-06-03 DOI: 10.1007/s41061-024-00465-w
Iqra Kalsoom, Kiran Shehzadi, Han-sheng Li, Hong-liang Wen, Ming-jia Yu

Cannabis sativa has long been used for neurological and psychological healing. Recently, cannabidiol (CBD) extracted from cannabis sativa has gained prominence in the medical field due to its non-psychotropic therapeutic effects on the central and peripheral nervous systems. CBD, also acting as a potent antioxidant, displays diverse clinical properties such as anticancer, antiinflammatory, antidepressant, antioxidant, antiemetic, anxiolytic, antiepileptic, and antipsychotic effects. In this review, we summarized the structural activity relationship of CBD with different receptors by both experimental and computational techniques and investigated the mechanism of interaction between related receptors and CBD. The discovery of structural activity relationship between CBD and target receptors would provide a direction to optimize the scaffold of CBD and its derivatives, which would give potential medical applications on CBD-based therapies in various illnesses.

Graphical Abstract

长期以来,大麻一直被用于神经和心理治疗。最近,从大麻中提取的大麻二酚(CBD)因其对中枢和外周神经系统的非精神治疗作用而在医学领域大放异彩。CBD 也是一种强效抗氧化剂,具有多种临床特性,如抗癌、抗炎、抗抑郁、抗氧化、止吐、抗焦虑、抗癫痫和抗精神病作用。在这篇综述中,我们通过实验和计算技术总结了 CBD 与不同受体的结构活性关系,并研究了相关受体与 CBD 之间的相互作用机制。CBD与靶受体结构活性关系的发现将为优化CBD及其衍生物的支架提供方向,从而为基于CBD的各种疾病的治疗提供潜在的医学应用。
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引用次数: 0
What Should be Considered While Designing Hole-Transporting Material for Perovskite Solar Cells? A Special Attention to Thiophene-Based Hole-Transporting Materials 设计用于 Perovskite 太阳能电池的空穴传输材料时应考虑哪些因素?特别关注基于噻吩的空穴传输材料。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-06-03 DOI: 10.1007/s41061-024-00464-x
Palani Purushothaman, Subramanian Karpagam

The molecular design and conformations of hole-transporting materials (HTM) have unravelled a strategy to enhance the performance of environmentally sustainable perovskite solar cells (PSC). Several attempts have been made and several are underway for improving the efficiency of PSCs by designing an efficient HTM, which is crucial to preventing corrosion, facilitating effective hole transportation, and preventing charge recombination. There is a need for a potential alternative to the current market-dominating HTM due to its high cost of production, dopant requirements, moisture sensitivity, and low stability. Among several proposed HTMs, molecules derived from thiophene exhibit unique behaviour, such as the interaction with under-coordinated Pb2+, thereby facilitating the passivation of surface defects in the perovskite layer. In addition, coupling a suitable side chain imparts a hydrophobic character, eventually leading to the development of a moisture-sensitive and highly stable PSC. Furthermore, thiophene-backboned polymers with ionic pendants have been employed as an interfacial layer between PSC layers, with the backbone facilitating efficient charge transfer. This perspective article comprehensively presents the design strategy, characterization, and function of HTMs associated with thiophene-derived molecules. Hence, it is observed that thiophene-formulated HTMs have an enhanced passivation effect, good performance in an open-circuit environment, longevity, humidity resistance, thermostability, good hole extraction, and mobility in a dopant-free condition. For a better understanding, the article provides a comparative description of the activity and function of thiophene-based small molecules and polymers and their effect on device performance.

Graphical Abstract

空穴传输材料(HTM)的分子设计和构象揭示了一种提高环境可持续型过氧化物太阳能电池(PSC)性能的策略。为了通过设计高效的 HTM 来提高 PSC 的效率,人们已经做了一些尝试,还有一些尝试正在进行之中,因为 HTM 对于防止腐蚀、促进有效的空穴传输和防止电荷重组至关重要。由于目前市场上占主导地位的 HTM 生产成本高、需要掺杂剂、对湿气敏感且稳定性低,因此需要一种潜在的替代品。在几种拟议的 HTM 中,由噻吩衍生的分子表现出独特的行为,例如与欠配位 Pb2+ 的相互作用,从而促进了过氧化物层表面缺陷的钝化。此外,耦合合适的侧链还能赋予其疏水特性,最终开发出对湿气敏感且高度稳定的 PSC。此外,带有离子垂饰的噻吩骨架聚合物已被用作 PSC 层之间的界面层,骨架可促进有效的电荷转移。本视角文章全面介绍了与噻吩衍生分子相关的 HTM 的设计策略、表征和功能。由此可见,噻吩配制的 HTM 具有增强的钝化效果、开路环境下的良好性能、长寿命、防潮性、热稳定性、良好的空穴萃取和无掺杂物条件下的迁移率。为了加深理解,文章对噻吩基小分子和聚合物的活性和功能及其对器件性能的影响进行了比较说明。
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引用次数: 0
Properties, Synthesis and Emerging Applications of Graphdiyne: A Journey Through Recent Advancements Graphdiyne 的特性、合成和新兴应用:最新进展之旅。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-05-19 DOI: 10.1007/s41061-024-00466-9
H. V. Nidhi, Vinayaka S. Koppad, Ann Mariella Babu, Anitha Varghese

Graphdiyne (GDY) is a new variant of nano-carbon material with excellent chemical, physical and electronic properties. It has attracted wide attention from researchers and industrialists for its extensive role in the fields of optics, electronics, bio-medics and energy. The unique arrangement of sp–sp2 carbon atoms, linear acetylenic linkages, uniform pores and highly conjugated structure offer numerous potentials for further exploration of GDY materials. However, since the material is at its infancy, not much understanding is available regarding its properties, growth mechanism and future applications. Therefore, in this review, readers are guided through a brief discussion on GDY’s properties, different synthesis procedures with a special focus on surface functionalization and a list of applications for GDY. The review also critically analyses the advantages and disadvantages of each synthesis route and emphasizes the future scope of the material.

Graphical abstract

Graphdiyne (GDY) 是一种新型纳米碳材料,具有优异的化学、物理和电子特性。由于其在光学、电子学、生物医学和能源领域的广泛作用,它已引起研究人员和工业家的广泛关注。sp-sp2碳原子的独特排列、线性乙炔链、均匀的孔隙和高度共轭的结构为进一步开发 GDY 材料提供了巨大的潜力。然而,由于这种材料尚处于起步阶段,人们对其性能、生长机制和未来应用的了解还不多。因此,本综述将引导读者简要讨论 GDY 的特性、不同的合成过程(特别关注表面功能化)以及 GDY 的应用清单。综述还批判性地分析了每种合成途径的优缺点,并强调了该材料的未来应用范围。
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引用次数: 0
Indole as a Versatile Building Block in Cycloaddition Reactions: Synthesis of Diverse Heterocyclic Frameworks 吲哚作为环化反应中的多功能构件:合成多种杂环框架。
IF 8.6 2区 化学 Q1 Chemistry Pub Date : 2024-05-17 DOI: 10.1007/s41061-024-00463-y
Biswajita Baruah, Choitanya Dev Pegu, Mohit L. Deb

Indole, a ubiquitous and structurally versatile aromatic compound, has emerged as a key player in the synthesis of diverse heterocyclic frameworks via cycloaddition reactions. These reactions are completely atom-economical and, hence, are considered as green reactions. This review article provides a comprehensive overview of the pivotal role played by indole in the construction of complex and biologically relevant heterocyclic compounds. Here we explore the chemistry of indole-based cycloadditions, highlighting their synthetic utility in accessing a wide array of heterocyclic architectures, including cyclohepta[b]indoles, tetrahydrocarbazoles, tetrahydroindolo[3,2-c]quinoline, and indolines, among others. Additionally, we discuss the mechanistic insights that underpin these transformations, emphasizing the strategic importance of indole as a building block. The content of this article will certainly encourage the readers to explore more work in this area.

Graphical abstract

吲哚是一种无处不在、结构多变的芳香族化合物,是通过环加成反应合成各种杂环框架的关键人物。这些反应完全是原子经济的,因此被认为是绿色反应。这篇综述文章全面概述了吲哚在构建复杂且具有生物相关性的杂环化合物中发挥的关键作用。在此,我们探讨了基于吲哚的环加成反应的化学性质,强调了它们在获得各种杂环结构方面的合成用途,包括环庚基[b]吲哚、四氢咔唑、四氢吲哚并[3,2-c]喹啉和吲哚啉等。此外,我们还讨论了支持这些转化的机理见解,强调了吲哚作为构建基块的战略重要性。本文的内容必将鼓励读者探索这一领域的更多工作。
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引用次数: 0
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Topics in Current Chemistry
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