Dr. Benjamin Mourot, Prof. Denis Jacquemin, Dr. Olivier Siri, Dr. Simon Pascal
This review provides a comprehensive examination of the applications of the seminal coupling principle introduced by Siegfried Dähne and Dieter Leupold in 1966. Their heuristic and groundbreaking work proposed that combining multiple polymethine subunits within a single chromophore enables orbital coupling, consequently narrowing the HOMO–LUMO gap, and yielding redshifted optical properties. These outcomes are particularly valuable for developing organic dyes tailored for visible-to-near-infrared applications. Despite their potential, coupled polymethines remain relatively underexplored, with most reported instances being serendipitous discoveries over the last six decades. In light of this, our review compiles and discusses the reported coupled polymethine structures, covering synthetic, spectroscopic, theoretical and applicative aspects, offering insights into the structure-property relationships of this unique class of dyes and perspectives for their future applications.
{"title":"Coupled Polymethine Dyes: Six Decades of Discoveries","authors":"Dr. Benjamin Mourot, Prof. Denis Jacquemin, Dr. Olivier Siri, Dr. Simon Pascal","doi":"10.1002/tcr.202400183","DOIUrl":"10.1002/tcr.202400183","url":null,"abstract":"<p>This review provides a comprehensive examination of the applications of the seminal coupling principle introduced by Siegfried Dähne and Dieter Leupold in 1966. Their heuristic and groundbreaking work proposed that combining multiple polymethine subunits within a single chromophore enables orbital coupling, consequently narrowing the HOMO–LUMO gap, and yielding redshifted optical properties. These outcomes are particularly valuable for developing organic dyes tailored for visible-to-near-infrared applications. Despite their potential, coupled polymethines remain relatively underexplored, with most reported instances being serendipitous discoveries over the last six decades. In light of this, our review compiles and discusses the reported coupled polymethine structures, covering synthetic, spectroscopic, theoretical and applicative aspects, offering insights into the structure-property relationships of this unique class of dyes and perspectives for their future applications.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142616046","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}
Al Mojahid Afridi, Mahbuba Aktary, Syed Shaheen Shah, Sharif Iqbal Mitu Sheikh, Gazi Jahirul Islam, M. Nasiruzzaman Shaikh, Md. Abdul Aziz
The ongoing global shift towards sustainability in electrical engineering necessitates novel materials that offer both ecological and technical benefits. Biomass-derived carbon materials (BCMs) are emerging as cornerstones in this transition due to their sustainability, cost-effectiveness, and versatile properties. This review explores the expansive role of BCMs across various electrical engineering applications, emphasizing their transformative impact and potential in fostering a sustainable technological ecosystem. The fundamentals of BCMs are investigated, including their unique structures, diverse synthesis procedures, and significant electrical and electrochemical properties. A detailed examination of recent innovations in BCM applications for energy storage, such as batteries and supercapacitors, and their pivotal role in developing advanced electronic components like sensors, detectors, and electromagnetic interference shielding composites has been covered. BCMs offer superior electrical conductivities, tunable surface chemistries, and mechanical properties compared to traditional carbon sources. These can be further enhanced through innovative doping and functionalization techniques. Moreover, this review identifies challenges related to scalability and uniformity in properties and proposes future research directions to overcome these hurdles. By integrating insights from recent studies with a forward-looking perspective, this paper sets the stage for the next generation of electrical engineering solutions powered by biomass-derived materials, aligning technological advancement with environmental stewardship.
{"title":"Advancing Electrical Engineering with Biomass-derived Carbon Materials: Applications, Innovations, and Future Directions","authors":"Al Mojahid Afridi, Mahbuba Aktary, Syed Shaheen Shah, Sharif Iqbal Mitu Sheikh, Gazi Jahirul Islam, M. Nasiruzzaman Shaikh, Md. Abdul Aziz","doi":"10.1002/tcr.202400144","DOIUrl":"10.1002/tcr.202400144","url":null,"abstract":"<p>The ongoing global shift towards sustainability in electrical engineering necessitates novel materials that offer both ecological and technical benefits. Biomass-derived carbon materials (BCMs) are emerging as cornerstones in this transition due to their sustainability, cost-effectiveness, and versatile properties. This review explores the expansive role of BCMs across various electrical engineering applications, emphasizing their transformative impact and potential in fostering a sustainable technological ecosystem. The fundamentals of BCMs are investigated, including their unique structures, diverse synthesis procedures, and significant electrical and electrochemical properties. A detailed examination of recent innovations in BCM applications for energy storage, such as batteries and supercapacitors, and their pivotal role in developing advanced electronic components like sensors, detectors, and electromagnetic interference shielding composites has been covered. BCMs offer superior electrical conductivities, tunable surface chemistries, and mechanical properties compared to traditional carbon sources. These can be further enhanced through innovative doping and functionalization techniques. Moreover, this review identifies challenges related to scalability and uniformity in properties and proposes future research directions to overcome these hurdles. By integrating insights from recent studies with a forward-looking perspective, this paper sets the stage for the next generation of electrical engineering solutions powered by biomass-derived materials, aligning technological advancement with environmental stewardship.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142616045","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}
An-Guo Wu, Jie Ding, Lan Zhao, Prof. Dr. Hong-Ru Li, Prof. Dr. Liang-Nian He
Carbon dioxide is a major greenhouse gas and a safe, abundant, easily accessible, and renewable C1 resource that can be chemically converted into high value-added chemicals, fuels and materials. The preparation of urea, organic carbonates, salicylic acid, etc. from CO2 through non-reduction conversion has been used in industrial production, while CO2 reduction transformation has become a research hotspot in recent years due to its involvement in energy storage and product diversification. Designing suitable catalysts to achieve efficient and selective conversion of CO2 is crucial due to its thermodynamic stability and kinetic inertness. From this perspective, the redistribution of charges within CO2 molecules through the interaction of Lewis acid/base or metal complexes with CO2, or the forced transfer of electrons to CO2 through photo- or electrocatalysis, is a commonly used effective way to activate CO2. Based on understanding of the activation/reaction mechanism on a molecular level, we have developed metal complexes, metal salts, inorganic/organic salts, ionic liquids, as well as nitrogen rich and porous materials as efficient catalysts for CO2 reductive conversions. The goal of this personal account is to summarize the catalytic processes of CO2 reductive conversion that have been developed in the past 7 years: 1) For the reductive functionalization of CO2, the major challenge lies in accurately adjusting reaction parameters (such as pressure) to achieve high catalytic efficiency and the product selectivity; 2) For photocatalytic or electrocatalytic reduction of CO2, how to suppress competitive hydrogen evolution reactions and improve catalyst stability are key points that requires continuous attention.
二氧化碳是一种主要的温室气体,也是一种安全、丰富、易获取和可再生的 C1 资源,可以通过化学方法转化为高附加值的化学品、燃料和材料。以二氧化碳为原料,通过非还原转化制备尿素、有机碳酸盐、水杨酸等,已在工业生产中得到应用,而二氧化碳还原转化由于涉及能源储存和产品多样化,近年来已成为研究热点。由于二氧化碳的热力学稳定性和动力学惰性,设计合适的催化剂实现二氧化碳的高效和选择性转化至关重要。从这个角度来看,通过路易斯酸/碱或金属络合物与 CO2 的相互作用使 CO2 分子内的电荷重新分配,或通过光催化或电催化将电子强制转移到 CO2,是活化 CO2 的常用有效方法。基于对分子水平活化/反应机制的理解,我们开发了金属络合物、金属盐、无机/有机盐、离子液体以及富氮多孔材料,作为二氧化碳还原转化的高效催化剂。本报告旨在总结过去 7 年中开发的二氧化碳还原转化催化过程:1)对于 CO2 的还原官能化,主要挑战在于如何精确调节反应参数(如压力)以实现高催化效率和产物选择性;2)对于 CO2 的光催化或电催化还原,如何抑制竞争性氢进化反应和提高催化剂稳定性是需要持续关注的关键点。
{"title":"Reductive Transformation of CO2 to Organic Compounds","authors":"An-Guo Wu, Jie Ding, Lan Zhao, Prof. Dr. Hong-Ru Li, Prof. Dr. Liang-Nian He","doi":"10.1002/tcr.202400164","DOIUrl":"10.1002/tcr.202400164","url":null,"abstract":"<p>Carbon dioxide is a major greenhouse gas and a safe, abundant, easily accessible, and renewable C1 resource that can be chemically converted into high value-added chemicals, fuels and materials. The preparation of urea, organic carbonates, salicylic acid, etc. from CO<sub>2</sub> through non-reduction conversion has been used in industrial production, while CO<sub>2</sub> reduction transformation has become a research hotspot in recent years due to its involvement in energy storage and product diversification. Designing suitable catalysts to achieve efficient and selective conversion of CO<sub>2</sub> is crucial due to its thermodynamic stability and kinetic inertness. From this perspective, the redistribution of charges within CO<sub>2</sub> molecules through the interaction of Lewis acid/base or metal complexes with CO<sub>2</sub>, or the forced transfer of electrons to CO<sub>2</sub> through photo- or electrocatalysis, is a commonly used effective way to activate CO<sub>2</sub>. Based on understanding of the activation/reaction mechanism on a molecular level, we have developed metal complexes, metal salts, inorganic/organic salts, ionic liquids, as well as nitrogen rich and porous materials as efficient catalysts for CO<sub>2</sub> reductive conversions. The goal of this personal account is to summarize the catalytic processes of CO<sub>2</sub> reductive conversion that have been developed in the past 7 years: 1) For the reductive functionalization of CO<sub>2</sub>, the major challenge lies in accurately adjusting reaction parameters (such as pressure) to achieve high catalytic efficiency and the product selectivity; 2) For photocatalytic or electrocatalytic reduction of CO<sub>2</sub>, how to suppress competitive hydrogen evolution reactions and improve catalyst stability are key points that requires continuous attention.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142616055","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}
Xiran Li, Mengyuan Liu, Wenhan Li, Xin Wang, Shiyu Wang, Haoran Yin, Ning Yan, Xin Jin, Chaohe Yang
Global efforts toward establishing a circular carbon economy have guided research interests towards exploring renewable technologies that can replace environmentally harmful fossil fuel-based production routes. In this context, sugar-based bio-derived substrates have been identified as renewable molecules for future implementation in chemical industries. Tartaric acid, a special C4 bio-compound with two hydroxyl and carboxylic groups in the structure, displays great potential for the food, polymer, and pharmaceutical industries due to its unique biological reactivity and performance-enhancing properties. To this point, there has yet to be a comprehensive literature review and perspective on the applications and synthesis of tartaric acid. As such, we have conducted a detailed and thorough outlook and discussion in terms of biological activity, organic synthesis, catalysis, structural characterization and synthetic routes. Lastly, we provide a critical discussion on the applications and synthesis of tartaric acid to give our insights into developing sustainable chemical technologies for the future.
{"title":"Toward Sustainable Utilization and Production of Tartaric Acid","authors":"Xiran Li, Mengyuan Liu, Wenhan Li, Xin Wang, Shiyu Wang, Haoran Yin, Ning Yan, Xin Jin, Chaohe Yang","doi":"10.1002/tcr.202400099","DOIUrl":"10.1002/tcr.202400099","url":null,"abstract":"<p>Global efforts toward establishing a circular carbon economy have guided research interests towards exploring renewable technologies that can replace environmentally harmful fossil fuel-based production routes. In this context, sugar-based bio-derived substrates have been identified as renewable molecules for future implementation in chemical industries. Tartaric acid, a special C<sub>4</sub> bio-compound with two hydroxyl and carboxylic groups in the structure, displays great potential for the food, polymer, and pharmaceutical industries due to its unique biological reactivity and performance-enhancing properties. To this point, there has yet to be a comprehensive literature review and perspective on the applications and synthesis of tartaric acid. As such, we have conducted a detailed and thorough outlook and discussion in terms of biological activity, organic synthesis, catalysis, structural characterization and synthetic routes. Lastly, we provide a critical discussion on the applications and synthesis of tartaric acid to give our insights into developing sustainable chemical technologies for the future.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 11","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142616057","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}
Suleiman Magaji, Ijaz Hussain, Zuhair Malaibari, Mohammad M. Hossain, Ziyauddin S. Qureshi, Shakeel Ahmed
The catalytic cracking of liquefied petroleum gas (LPG) has attracted significant attention due to its importance in producing valuable feedstocks for the petrochemical industry. This review provides an overview of recent developments in zeolite-based catalyst technology for converting LPG into light olefins. Catalytic cracking utilizes zeolite-based catalysts usually associated with stability challenges, such as coking and sintering. The discussion focused on the underlying mechanisms that govern the catalytic cracking process and provided insights into the complex reaction pathways involved. A comprehensive analysis of various strategies employed for improving the effectiveness of zeolite catalysts has been discussed in this review. These strategies encompass using transition metals to modify catalyst properties, treatments involving phosphorous modification, alkaline earth metals, and alkali metals to alter the acidity level of the zeolites. The elucidation of the impact of silica-to-alumina ratios in zeolites and the development of hierarchical zeolite-based catalysts through top-down and bottom-up methodologies are also discussed.
{"title":"Catalytic Cracking of Liquefied Petroleum Gas (LPG) to Light Olefins Using Zeolite-Based Materials: Recent Advances, Trends, Challenges and Future Perspectives","authors":"Suleiman Magaji, Ijaz Hussain, Zuhair Malaibari, Mohammad M. Hossain, Ziyauddin S. Qureshi, Shakeel Ahmed","doi":"10.1002/tcr.202400110","DOIUrl":"10.1002/tcr.202400110","url":null,"abstract":"<p>The catalytic cracking of liquefied petroleum gas (LPG) has attracted significant attention due to its importance in producing valuable feedstocks for the petrochemical industry. This review provides an overview of recent developments in zeolite-based catalyst technology for converting LPG into light olefins. Catalytic cracking utilizes zeolite-based catalysts usually associated with stability challenges, such as coking and sintering. The discussion focused on the underlying mechanisms that govern the catalytic cracking process and provided insights into the complex reaction pathways involved. A comprehensive analysis of various strategies employed for improving the effectiveness of zeolite catalysts has been discussed in this review. These strategies encompass using transition metals to modify catalyst properties, treatments involving phosphorous modification, alkaline earth metals, and alkali metals to alter the acidity level of the zeolites. The elucidation of the impact of silica-to-alumina ratios in zeolites and the development of hierarchical zeolite-based catalysts through top-down and bottom-up methodologies are also discussed.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 11","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142603187","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}
João Marcos Anghinoni, Irum, Haroon Ur Rashid, Eder João Lenardão, Márcio Santos Silva
31P NMR spectroscopy is a consolidated tool for the characterization of organophosphorus compounds and, more recently, for reaction monitoring. The evolution of organic synthesis, mainly due to the combination of elaborated building blocks with enabling technologies, generated great challenges to understand and to optimize the synthetic methodologies. In this sense, 31P NMR experiments also became a routine technique for reaction monitoring, accessing products and side products yields, chiral recognition, kinetic data, intermediates, as well as basic organic parameters, such as acid-base and hydrogen-bonding. This review deals with these aspects demonstrating the essential role of the 31P NMR spectroscopy. The recent publications (the last ten years) will be explored, discussing the experiments of 31P NMR and the strategies accomplished to detect and/or quantify distinct organophosphorus molecules, approaching reaction mechanism, stability, stereochemistry, and the utility as a probe.
{"title":"31P Nuclear Magnetic Resonance Spectroscopy for Monitoring Organic Reactions and Organic Compounds","authors":"João Marcos Anghinoni, Irum, Haroon Ur Rashid, Eder João Lenardão, Márcio Santos Silva","doi":"10.1002/tcr.202400132","DOIUrl":"10.1002/tcr.202400132","url":null,"abstract":"<p><sup>31</sup>P NMR spectroscopy is a consolidated tool for the characterization of organophosphorus compounds and, more recently, for reaction monitoring. The evolution of organic synthesis, mainly due to the combination of elaborated building blocks with enabling technologies, generated great challenges to understand and to optimize the synthetic methodologies. In this sense, <sup>31</sup>P NMR experiments also became a routine technique for reaction monitoring, accessing products and side products yields, chiral recognition, kinetic data, intermediates, as well as basic organic parameters, such as acid-base and hydrogen-bonding. This review deals with these aspects demonstrating the essential role of the <sup>31</sup>P NMR spectroscopy. The recent publications (the last ten years) will be explored, discussing the experiments of <sup>31</sup>P NMR and the strategies accomplished to detect and/or quantify distinct organophosphorus molecules, approaching reaction mechanism, stability, stereochemistry, and the utility as a probe.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582411","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}
Inflammation is a physiological response of the body to harmful stimuli such as pathogens, damaged cells, or irritants, involving a series of cellular and molecular events. It is associated with various diseases including neurodegenerative disorders, cancer, and atherosclerosis, and is a leading cause of global mortality. Key inflammatory factors, such as Tumor Necrosis Factor-alpha (TNF-α), Interleukin-1 (IL-1), Interleukin-6 (IL-6), Monocyte Chemoattractant Protein-1 (MCP-1/CCL2), RANTES (CCL5), and prostaglandins, play central roles in inflammation and disease progression. Traditional treatments such as NSAIDs, steroids, biologic agents, and antioxidants have limitations. Recent advancements in nanomaterials present promising solutions for treating inflammation-related diseases. Unlike nanomaterials that rely on passive targeting and face challenges in precise drug delivery, nanomotors, driven by chemical or optical stimuli, offer a more dynamic approach by actively navigating to inflammation sites, thereby enhancing drug delivery efficiency and therapeutic outcomes. Nanomotors allow for controlled drug release in response to specific environmental changes, such as pH and inflammatory factors, ensuring effective drug concentrations at disease sites. This active targeting capability enables the use of smaller drug doses, which reduces overall drug usage, costs, and potential side effects compared to traditional treatments. By improving precision and efficiency, nanomotors address the limitations of conventional therapies and represent a significant advancement in the treatment of inflammation-related diseases. This review summarizes the latest research on nanomotor-mediated treatment of inflammation-related diseases and discusses the challenges and future directions for optimizing their clinical translation.
{"title":"Nanomotors as Therapeutic Agents: Advancing Treatment Strategies for Inflammation-Related Diseases","authors":"Min Luo, Fu-kun Zhao, Yuan-min Wang, Yong Luo","doi":"10.1002/tcr.202400162","DOIUrl":"10.1002/tcr.202400162","url":null,"abstract":"<p>Inflammation is a physiological response of the body to harmful stimuli such as pathogens, damaged cells, or irritants, involving a series of cellular and molecular events. It is associated with various diseases including neurodegenerative disorders, cancer, and atherosclerosis, and is a leading cause of global mortality. Key inflammatory factors, such as Tumor Necrosis Factor-alpha (TNF-α), Interleukin-1 (IL-1), Interleukin-6 (IL-6), Monocyte Chemoattractant Protein-1 (MCP-1/CCL2), RANTES (CCL5), and prostaglandins, play central roles in inflammation and disease progression. Traditional treatments such as NSAIDs, steroids, biologic agents, and antioxidants have limitations. Recent advancements in nanomaterials present promising solutions for treating inflammation-related diseases. Unlike nanomaterials that rely on passive targeting and face challenges in precise drug delivery, nanomotors, driven by chemical or optical stimuli, offer a more dynamic approach by actively navigating to inflammation sites, thereby enhancing drug delivery efficiency and therapeutic outcomes. Nanomotors allow for controlled drug release in response to specific environmental changes, such as pH and inflammatory factors, ensuring effective drug concentrations at disease sites. This active targeting capability enables the use of smaller drug doses, which reduces overall drug usage, costs, and potential side effects compared to traditional treatments. By improving precision and efficiency, nanomotors address the limitations of conventional therapies and represent a significant advancement in the treatment of inflammation-related diseases. This review summarizes the latest research on nanomotor-mediated treatment of inflammation-related diseases and discusses the challenges and future directions for optimizing their clinical translation.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582425","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}
Giovanna Scalli Tâmega, Mateus Oliveira Costa, Ariel de Araujo Pereira, Prof. Dr. Marco Antonio Barbosa Ferreira
Advancements in synthetic organic chemistry are closely related to understanding substrate and catalyst reactivities through detailed mechanistic studies. Traditional mechanistic investigations are labor-intensive and rely on experimental kinetic, thermodynamic, and spectroscopic data. Linear free energy relationships (LFERs), exemplified by Hammett relationships, have long facilitated reactivity prediction despite their inherent limitations when using experimental constants or incorporating comprehensive experimental data. Data-driven modeling, which integrates cheminformatics with machine learning, offers powerful tools for predicting and interpreting mechanisms and effectively handling complex reactivities through multiparameter strategies. This review explores selected examples of data-driven strategies for investigating organic reaction mechanisms. It highlights the evolution and application of computational descriptors for mechanistic inference.
{"title":"Data Science Guiding Analysis of Organic Reaction Mechanism and Prediction","authors":"Giovanna Scalli Tâmega, Mateus Oliveira Costa, Ariel de Araujo Pereira, Prof. Dr. Marco Antonio Barbosa Ferreira","doi":"10.1002/tcr.202400148","DOIUrl":"10.1002/tcr.202400148","url":null,"abstract":"<p>Advancements in synthetic organic chemistry are closely related to understanding substrate and catalyst reactivities through detailed mechanistic studies. Traditional mechanistic investigations are labor-intensive and rely on experimental kinetic, thermodynamic, and spectroscopic data. Linear free energy relationships (LFERs), exemplified by Hammett relationships, have long facilitated reactivity prediction despite their inherent limitations when using experimental constants or incorporating comprehensive experimental data. Data-driven modeling, which integrates cheminformatics with machine learning, offers powerful tools for predicting and interpreting mechanisms and effectively handling complex reactivities through multiparameter strategies. This review explores selected examples of data-driven strategies for investigating organic reaction mechanisms. It highlights the evolution and application of computational descriptors for mechanistic inference.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582412","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}
We introduce the community to the remarkable fact that two significant discoveries in the field of organic photoswitches are associated to the Rubizhne (Rubezhnoe) branch of the Research Institute of Organic Intermediates and Dyes during the last century. The institute in Rubizhne was a place where researchers of various nationalities carried out studies of organic dyes for printing and textiles. These efforts resulted in the discoveries of photoswitchable hemithioindigos by M. A. Mostoslavskii and peri-aryloxyquinones by Yu. E. Gerasimenko. Herein, based on the available literature, we reconstruct the circumstances surrounding these outstanding findings and highlight the unique role of the Rubizhne institute as a research center. Furthermore, we demonstrate the impact of the results of the Rubizhne researchers on the field of photoswitchable molecules.
我们向社会各界介绍一个令人瞩目的事实,即上世纪有机中间体和染料研究所鲁比日内(Rubezhnoe)分部在有机光电开关领域的两项重大发现。鲁比日内研究所是各国研究人员进行印刷和纺织品有机染料研究的地方。M. A. Mostoslavskii 发现了可光开关的半硫代靛红,Yu.E. Gerasimenko。在此,我们根据现有文献,重构了这些杰出发现的来龙去脉,并强调了鲁比日内研究所作为研究中心的独特作用。此外,我们还展示了鲁比日内研究所研究人员的成果对光开关分子领域的影响。
{"title":"Rubizhne Institute – A Birthplace of Photochromic Molecules","authors":"Dr. Andrey G. Lvov, Dr. Daria V. Berdnikova","doi":"10.1002/tcr.202400143","DOIUrl":"10.1002/tcr.202400143","url":null,"abstract":"<p>We introduce the community to the remarkable fact that two significant discoveries in the field of organic photoswitches are associated to the Rubizhne (Rubezhnoe) branch of the Research Institute of Organic Intermediates and Dyes during the last century. The institute in Rubizhne was a place where researchers of various nationalities carried out studies of organic dyes for printing and textiles. These efforts resulted in the discoveries of photoswitchable hemithioindigos by M. A. Mostoslavskii and <i>peri</i>-aryloxyquinones by Yu. E. Gerasimenko. Herein, based on the available literature, we reconstruct the circumstances surrounding these outstanding findings and highlight the unique role of the Rubizhne institute as a research center. Furthermore, we demonstrate the impact of the results of the Rubizhne researchers on the field of photoswitchable molecules.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142567525","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}
The demand for renewable energy sources has become more urgent due to climate change and environmental pollution. The oxygen evolution reaction (OER) plays a crucial role in green energy sources. This article primarily explores the potential of using non-noble metals, such as transition and rare earth metals, to enhance the efficiency of the OER process. Due to their cost-effectiveness and unique electronic structure, these non-noble metals could be a game-changer in the field. ′Doping,′ which is the process of adding a small amount of impurity to a material to alter its properties, and ′synergistic effects,′ which refer to the combined effect of two or more elements that is greater than the sum of their individual effects, are two key concepts in this field. Transition and rare earth metals can reduce the overpotential, a measure of the excess potential required to drive a reaction, thus enhancing the OER process by engineering the electronic and surface molecular structure. This article summarizes the roles of various non-noble metals in the OER process and highlights opportunities for researchers to propose innovative ways to optimize the OER process.
由于气候变化和环境污染,对可再生能源的需求变得更加迫切。氧进化反应(OER)在绿色能源中发挥着至关重要的作用。本文主要探讨了使用过渡金属和稀土金属等非贵金属来提高氧进化反应过程效率的潜力。由于其成本效益和独特的电子结构,这些非贵金属可能会改变该领域的游戏规则。掺杂 "和 "协同效应 "是这一领域的两个关键概念。"掺杂 "是指在材料中添加少量杂质,以改变其特性;"协同效应 "是指两种或两种以上元素的综合效应大于其单独效应的总和。过渡金属和稀土金属可以降低过电位,过电位是衡量驱动反应所需的过剩电位的一个指标,因此可以通过对电子和表面分子结构进行工程设计来增强 OER 过程。本文总结了各种非贵金属在 OER 过程中的作用,并强调了研究人员提出优化 OER 过程的创新方法的机会。
{"title":"Recent Progress in Non-Noble Metal Catalysts for Oxygen Evolution Reaction: A Focus on Transition and Rare-Earth Elements","authors":"Jala Bib Khan, Yuan-Chang Liang","doi":"10.1002/tcr.202400151","DOIUrl":"10.1002/tcr.202400151","url":null,"abstract":"<p>The demand for renewable energy sources has become more urgent due to climate change and environmental pollution. The oxygen evolution reaction (OER) plays a crucial role in green energy sources. This article primarily explores the potential of using non-noble metals, such as transition and rare earth metals, to enhance the efficiency of the OER process. Due to their cost-effectiveness and unique electronic structure, these non-noble metals could be a game-changer in the field. ′Doping,′ which is the process of adding a small amount of impurity to a material to alter its properties, and ′synergistic effects,′ which refer to the combined effect of two or more elements that is greater than the sum of their individual effects, are two key concepts in this field. Transition and rare earth metals can reduce the overpotential, a measure of the excess potential required to drive a reaction, thus enhancing the OER process by engineering the electronic and surface molecular structure. This article summarizes the roles of various non-noble metals in the OER process and highlights opportunities for researchers to propose innovative ways to optimize the OER process.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496102","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}