Topics in Current Chemistry最新文献_第6页

The Repurposed ACE2 Inhibitors: SARS-CoV-2 Entry Blockers of Covid-19 重组ACE2抑制剂:Covid-19的SARS-CoV-2进入阻断剂

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-10-08 DOI: 10.1007/s41061-021-00353-7

Iqrar Ahmad, Rahul Pawara, Sanjay Surana, Harun Patel

{"title":"The Repurposed ACE2 Inhibitors: SARS-CoV-2 Entry Blockers of Covid-19","authors":"Iqrar Ahmad, Rahul Pawara, Sanjay Surana, Harun Patel","doi":"10.1007/s41061-021-00353-7","DOIUrl":"10.1007/s41061-021-00353-7","url":null,"abstract":"<div>The highly infectious disease COVID-19 is induced by SARS-coronavirus 2 (SARS-CoV-2), which has spread rapidly around the globe and was announced as a pandemic by the World Health Organization (WHO) in March 2020. SARS-CoV-2 binds to the host cell’s angiotensin converting enzyme 2 (ACE2) receptor through the viral surface spike glycoprotein (S-protein). ACE2 is expressed in the oral mucosa and can therefore constitute an essential route for entry of SARS-CoV-2 into hosts through the tongue and lung epithelial cells. At present, no effective treatments for SARS-CoV-2 are yet in place. Blocking entry of the virus by inhibiting ACE2 is more advantageous than inhibiting the subsequent stages of the SARS-CoV-2 life cycle. Based on current published evidence, we have summarized the different in silico based studies and repurposing of anti-viral drugs to target ACE2, SARS-CoV-2 S-Protein: ACE2 and SARS-CoV-2 S-RBD: ACE2. This review will be useful to researchers looking to effectively recognize and deal with SARS-CoV-2, and in the development of repurposed ACE2 inhibitors against COVID-19.</div>","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 6","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s41061-021-00353-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4363048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 29

Recent Trends in the Design, Synthesis, Spectroscopic Behavior, and Applications of Benzazole-Based Molecules with Solid-State Luminescence Enhancement Properties 具有固态发光增强性能的苯并唑类分子的设计、合成、光谱行为和应用的最新进展

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-08-03 DOI: 10.1007/s41061-021-00344-8

Suzanne Fery-Forgues, Corinne Vanucci-Bacqué

{"title":"Recent Trends in the Design, Synthesis, Spectroscopic Behavior, and Applications of Benzazole-Based Molecules with Solid-State Luminescence Enhancement Properties","authors":"Suzanne Fery-Forgues, Corinne Vanucci-Bacqué","doi":"10.1007/s41061-021-00344-8","DOIUrl":"10.1007/s41061-021-00344-8","url":null,"abstract":"<div>Molecules that exhibit solid-state luminescence enhancement, i.e. the rare property to be more strongly emissive in the solid state than in solution, find an increasing number of applications in the fields of optoelectronic and nanophotonic devices, sensors, security papers, imaging, and theranostics. Benzazole (BZ) heterocycles are of particular value in this context. The simple enlargement of their π-electron system using a –C=C–Ar or –N=C–Ar moiety is enough for intrinsic solid-state luminescence enhancement (SLE) properties to appear. Their association with a variety of polyaromatic motifs leads to SLE-active molecules that frequently display attractive electroluminescent properties and are sensitive to mechanical stimuli. The excited-state intramolecular proton transfer (ESIPT) process that takes place in some hydroxy derivatives reinforces the SLE effect and enables the development of new sensors based on a protection/deprotection strategy. BZ may also be incorporated into frameworks that are prototypical aggregation-induced enhancement (AIE) luminogens, such as the popular tetraphenylethene (TPE), leading to materials with excellent optical and electroluminescent performance. This review encompasses the various ways to use BZ units in SLE systems. It underlines the significant progresses recently made in the understanding of the photophysical mechanisms involved. A brief overview of the synthesis shows that BZ units are robust building blocks, easily incorporated into a variety of structures. Generally speaking, we try to show how these small heterocycles may offer advantages for the design of increasingly efficient luminescent materials.</div>","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 5","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s41061-021-00344-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4110012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 10

Mechanofluorochromism with Aggregation-Induced Emission (AIE) Characteristics: A Perspective Applying Isotropic and Anisotropic Force 具有聚集诱导发射(AIE)特性的机械荧光:应用各向同性和各向异性力的视角

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-06-09 DOI: 10.1007/s41061-021-00341-x

Vishal Kachwal, Inamur Rahaman Laskar

{"title":"Mechanofluorochromism with Aggregation-Induced Emission (AIE) Characteristics: A Perspective Applying Isotropic and Anisotropic Force","authors":"Vishal Kachwal, Inamur Rahaman Laskar","doi":"10.1007/s41061-021-00341-x","DOIUrl":"https://doi.org/10.1007/s41061-021-00341-x","url":null,"abstract":"Organic mechanofluorochromic (MFC)?materials (that change their emission under anisotropic and isotropic pressure) have attracted a?great attention in recent years due to their promising applications in sensing pressure, storage devices, security inks, three-dimensional (3D) printing, etc. Stimuli-responsive organic materials with aggregation-induced emission (AIE) characteristics would be an interesting class of materials to enrich the chemistry of MFC compounds. A diamond anvil cell (DAC) is a small tool that is employed to generate high and uniform pressure on materials over a small area. This article discusses the relationship between the chemical structure of AIE compounds and the change in emission properties under anisotropic (mechanical grinding) and isotropic (hydrostatic) pressure. The luminescent properties of such materials depend on the molecular rearrangement in the lattice, conformational changes, excited state transitions and weak intermolecular interactions. Hence, studying the change in luminescent property of these compounds under varying pressure will provide a deeper understanding of the excited-state properties of various emissive compounds with stress. The development of such materials and studies into the effect of pressure on their luminescence properties are summarized.","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 4","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s41061-021-00341-x","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4387179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6

MLatom 2: An Integrative Platform for Atomistic Machine Learning MLatom 2:原子机器学习的集成平台

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-06-08 DOI: 10.1007/s41061-021-00339-5

Pavlo O. Dral, Fuchun Ge, Bao-Xin Xue, Yi-Fan Hou, Max Pinheiro Jr, Jianxing Huang, Mario Barbatti

{"title":"MLatom 2: An Integrative Platform for Atomistic Machine Learning","authors":"Pavlo O. Dral, Fuchun Ge, Bao-Xin Xue, Yi-Fan Hou, Max Pinheiro Jr, Jianxing Huang, Mario Barbatti","doi":"10.1007/s41061-021-00339-5","DOIUrl":"https://doi.org/10.1007/s41061-021-00339-5","url":null,"abstract":"Atomistic machine learning (AML) simulations are used in chemistry at an ever-increasing pace. A large number of AML models has been developed, but their implementations are scattered among different packages, each with its own conventions for input and output. Thus, here we give an overview of our MLatom 2 software package, which provides an integrative platform for a wide variety of AML simulations by implementing from scratch and interfacing existing software for a range of state-of-the-art models. These include kernel method-based model types such as KREG (native implementation), sGDML, and GAP-SOAP as well as neural-network-based model types such as ANI, DeepPot-SE, and PhysNet. The theoretical foundations behind these methods are overviewed too. The modular structure of MLatom allows for easy extension to more AML model types. MLatom 2 also has many other capabilities useful for AML simulations, such as the support of custom descriptors, farthest-point and structure-based sampling, hyperparameter optimization, model evaluation, and automatic learning curve generation. It can also be used for such multi-step tasks as Δ-learning, self-correction approaches, and absorption spectrum simulation within the machine-learning nuclear-ensemble approach. Several of these MLatom 2 capabilities are showcased in application examples.","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 4","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s41061-021-00339-5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4343281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 29

Semiconductors as Effective Electrodes for Dye Sensitized Solar Cell Applications 半导体作为染料敏化太阳能电池的有效电极

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-04-09 DOI: 10.1007/s41061-021-00334-w

Marwa Mostafa Moharam, Ayat Nasr El Shazly, Kabali Vijai Anand, Diaa EL-Rahman Ahmed Rayan, Mustafa K. A. Mohammed, Mohamed Mohamed Rashad, Ahmed Esmail Shalan

{"title":"Semiconductors as Effective Electrodes for Dye Sensitized Solar Cell Applications","authors":"Marwa Mostafa Moharam, Ayat Nasr El Shazly, Kabali Vijai Anand, Diaa EL-Rahman Ahmed Rayan, Mustafa K. A. Mohammed, Mohamed Mohamed Rashad, Ahmed Esmail Shalan","doi":"10.1007/s41061-021-00334-w","DOIUrl":"https://doi.org/10.1007/s41061-021-00334-w","url":null,"abstract":"As proficient photovoltaic devices, dye-sensitized solar cells (DSSCs) have received considerable consideration in recent years. In order to accomplish advanced solar-to-electricity efficiency and increase long-term functioning stability, improvements in the configuration structure of DSSCs are essential, as is an understanding of their elementary principles. This work discusses the application of different semiconductor constituents designed for effective DSSCs. The main parameters crucial to fabrication of DSSC electrodes in nano-porous semiconductor structures are high surface area and large pore size. Different inorganic semiconductor materials are used to load sensitizer dyes, which absorb a lot of light and induce high photocurrent for efficient DSSCs. The first section of the review covers energy sources, photovoltaics, and the benefits of solar cells in daily life, while the second part includes the various types of semiconductors applied in DSSC applications. The final section provides a brief review of future perspectives for DSSCs and a survey of semiconductor materials proposed for solar cell applications.","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 3","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s41061-021-00334-w","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4368590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 34

Recent Advances in the Synthesis, Properties, and Applications of Modified Chitosan Derivatives: Challenges and Opportunities 改性壳聚糖衍生物的合成、性能及应用研究进展:挑战与机遇

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-04-08 DOI: 10.1007/s41061-021-00331-z

T. Boominathan, Akella Sivaramakrishna

{"title":"Recent Advances in the Synthesis, Properties, and Applications of Modified Chitosan Derivatives: Challenges and Opportunities","authors":"T. Boominathan, Akella Sivaramakrishna","doi":"10.1007/s41061-021-00331-z","DOIUrl":"https://doi.org/10.1007/s41061-021-00331-z","url":null,"abstract":"Chitosan is a very well-known biocompatible and biodegradable polysaccharide consisting of β-(1–4)-linked glucosamine units, derived from the deacetylation of chitin. This unique biopolymer consists of primary amines as well as hydrophilic hydroxyl groups along with the chitosan backbone and has exceptional properties and wide applications. Numerous articles have been devoted to the preparation and properties of chitosan-based biomaterials, which have been demonstrated as beads, films, fibers (2D-scaffolds), gels, sponges (3D-scaffolds), and wound-healing materials. The unusual adsorption capacity of chitosan cross-linked polymer is demonstrated by trapping cations, anions, organic dyes, and pharmaceutical ingredients from wastewater. The most striking manifestations of flexibility in the preparation of these adsorbents have been critically reviewed, and their sorption efficiencies compared. Notably, these materials are also used as drug delivery carriers. Further, various metal-loaded chitosan-based nanocomposite materials have been used efficiently in organic catalytic reactions. As per the rich literature survey, such chitosan-based materials warrant further research due to their abundance, eco-friendliness, and effectiveness towards commercialization. The biotechnological aspects of chitosan may lead to promising low-cost materials and by-products of industrial and agricultural significance. The constant demand for potential adsorbents for the removal of pollutants, can be met by fine-tuning the structural properties of chitosan with appropriate cross-linkers or additives.","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 3","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s41061-021-00331-z","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4645188","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 20

Modulation of Aggregation-Induced Emission by Excitation Energy Transfer: Design and Application 利用激发能转移调制聚集诱导发射:设计与应用

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-04-07 DOI: 10.1007/s41061-021-00330-0

Lei Dong, Hui-Qing Peng, Li-Ya Niu, Qing-Zheng Yang

{"title":"Modulation of Aggregation-Induced Emission by Excitation Energy Transfer: Design and Application","authors":"Lei Dong, Hui-Qing Peng, Li-Ya Niu, Qing-Zheng Yang","doi":"10.1007/s41061-021-00330-0","DOIUrl":"https://doi.org/10.1007/s41061-021-00330-0","url":null,"abstract":"Excitation energy transfer (EET) as a fundamental photophysical process is well-explored for developing functional materials with tunable photophysical properties. Compared to traditional fluorophores, aggregation-induced emission luminogens (AIEgens) exhibit unique advantages for building EET systems, especially serving as energy donors, due to their outstanding photophysical properties such as bright fluorescence in aggregation state, broad absorption and emission spectra, large Stokes shift, and high photobleaching resistance. In addition, the photophysical properties of AIEgens can be modulated by energy transfer for improved luminescence performance. Therefore, a variety of EET systems based on AIEgens have been constructed and their applications in different areas have been explored. In this review, we summarize recent progress in the design strategy of AIE-based energy transfer systems for light-harvesting, fluorescent probes and theranostic systems, with an emphasis on design strategies to achieve desirable properties. The limitations, challenges and future opportunities of AIE–EET systems are briefly outlined.Design strategies and applications (light-harvesting, fluorescent probe and theranostics) of AIEgen-based excitation energy systems are discussed in this review.","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 3","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s41061-021-00330-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4280510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 5

Status and Prospects of Aggregation-Induced Emission Materials in Organic Optoelectronic Devices 有机光电器件中聚集致发射材料的研究现状与展望

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-03-16 DOI: 10.1007/s41061-021-00328-8

Dongge Ma

引用次数: 12

Aggregation-Induced Emission: From Small Molecules to Polymers—Historical Background, Mechanisms and Photophysics 聚集诱导发射:从小分子到聚合物——历史背景、机制和光物理

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-03-16 DOI: 10.1007/s41061-021-00327-9

Ana Clara B. Rodrigues, J. Sérgio Seixas de Melo

{"title":"Aggregation-Induced Emission: From Small Molecules to Polymers—Historical Background, Mechanisms and Photophysics","authors":"Ana Clara B. Rodrigues, J. Sérgio Seixas de Melo","doi":"10.1007/s41061-021-00327-9","DOIUrl":"https://doi.org/10.1007/s41061-021-00327-9","url":null,"abstract":"The enhancement of photoluminescence through formation of molecular aggregates in organic oligomers and conjugated organic polymers is reviewed. A historical contextualization of aggregation-induced emission (AIE) phenomena is presented. This includes the loose bolt or free rotor effect and J-aggregation phenomena, and discusses their characteristic features, including structures and mechanisms. The basis of both effects is examined in key molecules, with a particular emphasis on the AIE effect occurring in conjugated organic polymers with a polythiophene (PT) skeleton with triphenylethylene (TPE) units. Rigidification of the excited state structure is one of the defining conditions required to obtain AIE, and thus, by changing from a flexible ground state to rigid (quinoidal-like) structures, oligo and PTs are among the most promising emerging molecules alongside?with the more extensively used TPE derivatives. Molecular structures moving away from the domination of aggregation-caused quenching to AIE are presented. Future perspectives for the rational design of AIEgen structures are discussed.","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 3","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s41061-021-00327-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4656870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 21

Quantum Dots and Gd3+ Chelates: Advances and Challenges Towards Bimodal Nanoprobes for Magnetic Resonance and Optical Imaging 量子点和Gd3+螯合物:磁共振和光学成像双峰纳米探针的进展和挑战

IF 8.6 2区化学

Topics in Current Chemistry Pub Date : 2021-02-07 DOI: 10.1007/s41061-021-00325-x

Gabriela M. Albuquerque, Izabel Souza-Sobrinha, Samantha D. Coiado, Beate S. Santos, Adriana Fontes, Giovannia A. L. Pereira, Goreti Pereira

{"title":"Quantum Dots and Gd3+ Chelates: Advances and Challenges Towards Bimodal Nanoprobes for Magnetic Resonance and Optical Imaging","authors":"Gabriela M. Albuquerque, Izabel Souza-Sobrinha, Samantha D. Coiado, Beate S. Santos, Adriana Fontes, Giovannia A. L. Pereira, Goreti Pereira","doi":"10.1007/s41061-021-00325-x","DOIUrl":"https://doi.org/10.1007/s41061-021-00325-x","url":null,"abstract":"The development of multimodal nanoprobes has been growing?in recent years. Among these novel nanostructures are bimodal systems based on quantum dots (QDs) and low molecular weight Gd3+ chelates, prepared for magnetic resonance imaging (MRI) and optical analyses. MRI is a technique used worldwide that provides anatomic resolution and allows distinguishing of physiological differences at tissue and organ level. On the other hand, optical techniques are very sensitive and allow events to be followed at the cellular or molecular level. Thus, the association of these two techniques has the potential to achieve a more complete comprehension of biological processes. In this review, we present state-of-the-art research concerning the development of potential multimodal optical/paramagnetic nanoprobes based on Gd3+ chelates and QDs, highlighting their preparation strategies and overall properties.","PeriodicalId":54344,"journal":{"name":"Topics in Current Chemistry","volume":"379 2","pages":""},"PeriodicalIF":8.6,"publicationDate":"2021-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s41061-021-00325-x","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4297010","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6