Chemical recordPub Date : 2024-11-05DOI: 10.1002/tcr.202400148
Giovanna Scalli Tâmega, Mateus Oliveira Costa, Ariel de Araujo Pereira, Prof. Dr. Marco Antonio Barbosa Ferreira
{"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}
Chemical recordPub Date : 2024-11-03DOI: 10.1002/tcr.202400143
Dr. Andrey G. Lvov, Dr. Daria V. Berdnikova
{"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}
Chemical recordPub Date : 2024-10-26DOI: 10.1002/tcr.202400151
Jala Bib Khan, Yuan-Chang Liang
{"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}
Chemical recordPub Date : 2024-10-23DOI: 10.1002/tcr.202481001
Mitja Kostelec, Matija Gatalo, Nejc Hodnik
{"title":"Cover Picture: Fundamental and Practical Aspects of Break-In/Conditioning of Proton Exchange Membrane Fuel Cells (Chem. Rec. 10/2024)","authors":"Mitja Kostelec, Matija Gatalo, Nejc Hodnik","doi":"10.1002/tcr.202481001","DOIUrl":"https://doi.org/10.1002/tcr.202481001","url":null,"abstract":"<p>Break-in or conditioning phase of the proton exchange membrane fuel cell (PEMFC) stack plays a crucial role in the final performance as well as durability. The cover picture shows the effects of break-in with a before and after comparison of the catalyst layer on a submicron scale. This process is deconvoluted into several different mechanisms that may have either beneficial or detrimental effect on PEMFC stack. More details can be found in the article by Mitja Kostelec, Matija Gatalo and Nejc Hodnik (DOl: 10.1002/tcr.202400114<figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 10","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/tcr.202481001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142540853","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}
Chemical recordPub Date : 2024-10-22DOI: 10.1002/tcr.202400126
Jinzan Feng, Dr. Yue Wang, Prof. Er-Qing Li, Prof. Teck-Peng Loh
{"title":"Recent Developments in Copper-Catalyzed Annulations for Synthesis of Spirooxindoles","authors":"Jinzan Feng, Dr. Yue Wang, Prof. Er-Qing Li, Prof. Teck-Peng Loh","doi":"10.1002/tcr.202400126","DOIUrl":"10.1002/tcr.202400126","url":null,"abstract":"<p>Spirooxindoles represent a special scaffold for pharmaceuticals and natural products, and significant advancements have been achieved in their synthesis in recent years. Among these, transition metal catalysis, particularly copper catalysis, has emerged as an efficient and reliable method for the synthesis of spirooxindoles. Based on different reaction types, two distinct substrate types have been summarized and classified by us for constructing spirooxindole scaffolds <i>via</i> intramolecular and intermolecular annulations. This review outlines the latest advancements in copper-catalyzed cyclization reactions for synthesizing spirooxindoles and provides detailed insights into the types of annulation reactions and their possible reaction mechanisms.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 11","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496101","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}
Chemical recordPub Date : 2024-10-22DOI: 10.1002/tcr.202400135
Prof. Xiang Liu, Haifeng Fu, Qi Hu, Prof. Hua Cao
{"title":"Recent Advances on the Construction of Functionalized Indolizine and Imidazo[1,2-a]pyridine Derivatives","authors":"Prof. Xiang Liu, Haifeng Fu, Qi Hu, Prof. Hua Cao","doi":"10.1002/tcr.202400135","DOIUrl":"10.1002/tcr.202400135","url":null,"abstract":"<p>Indolizines and imidazo[1,2-<i>a</i>]pyridines are commonly found in natural products, synthetic drugs, and bioactive molecules. These two types of derivatives possess good antibacterial, antiparasitic, anticancer activities, and so on. The functionalization of indolizines and imidazo[1,2-<i>a</i>]pyridines has always been a hot topic in organic chemistry research and has made significant progress. In recent years, our group has been dedicated to developing diverse synthetic methods for the preparation of such important compounds. 1) We have developed diverse C−H functionalization reactions for efficient modification of the parent indolizines and imidazo[1,2-<i>a</i>]pyridines. 2) A variety of cycloaddition reactions were established for the construction of indolizine and imidazo[1,2-<i>a</i>]pyridine derivatives from simple raw materials. 3) We have developed intriguing deconstruction-functionalization reactions of indolizines, enabling the reorganization of heterocyclic frameworks. This paper outlines our group's latest advancements in constructing structurally diverse indolizine and imidazo[1,2-<i>a</i>]pyridine derivatives. We hope that this work will offer valuable insights and inspiration for the ongoing research in the field of N-heterocyclic compounds.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496100","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}
Chemical recordPub Date : 2024-10-22DOI: 10.1002/tcr.202400142
Conghui Wang, Dan Zhang, Shi Yue, Shaofeng Jia, Hao Li, Wanxin Liu, Le Li
{"title":"Organic Electrolyte Additives for Aqueous Zinc Ion Batteries: Progress and Outlook","authors":"Conghui Wang, Dan Zhang, Shi Yue, Shaofeng Jia, Hao Li, Wanxin Liu, Le Li","doi":"10.1002/tcr.202400142","DOIUrl":"10.1002/tcr.202400142","url":null,"abstract":"<p>Aqueous zinc ion batteries (AZIBs) are considered one of the most prospective new-generation electrochemical energy storage devices with the advantages of high specific capacity, good safety, and high economic efficiency. Nevertheless, the enduring problems of low Coulombic efficiency (CE) and inadequate cycling stability of zinc anodes, originating from dendrites, hydrogen precipitation and passivation, are closely tied to their thermodynamic instability in aqueous electrolytes, which significantly shortens the cycle life of the battery. Electrolyte additives can solve the above difficulties and are important for the advancement of affordable and reliable AZIBs. Organic electrolyte additives have attracted widespread attention due to their unique properties, however, there is a lack of systematic discussion on the performance and mechanism of action of organic electrolyte additives. In this review, a comprehensive overview of the application of organic electrolyte additives in AZIBs is presented. The role of organic electrolyte additives in stabilizing zinc anodes is described and evaluated. Finally, further potential directions and prospects for improving and directing organic electrolyte additives for AZIBs are presented.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 12","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496099","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}
Chemical recordPub Date : 2024-10-21DOI: 10.1002/tcr.202400096
Dr. Mir Waqas Alam, Nassiba Allag, Mir Naveed-Ur-Rehman, Shahidul Islam Bhat
{"title":"Graphene-Based Catalysts: Emerging Applications and Potential Impact","authors":"Dr. Mir Waqas Alam, Nassiba Allag, Mir Naveed-Ur-Rehman, Shahidul Islam Bhat","doi":"10.1002/tcr.202400096","DOIUrl":"10.1002/tcr.202400096","url":null,"abstract":"<p>Carbon nanofillers in general and graphene in particular are considered as promising potential candidates in catalysis due to their two-dimensional (2D) nature, zero bandwidth, single atom thickness with a promising high surface area: volume ratio. Additionally, graphene oxide via result of tunable electrical properties has also been developed as a catalytic support for metal and metal oxide nanofillers. Moreover, the possession of higher chemical stability followed by ultrahigh thermal conductivity plays a prominent role in promoting higher reinforcement of catalytically active sites. In this review we have started with an overview of carbon nanofillers as catalyst support, their main characteristics and applications for their use in heterogeneous catalysis. The review article also critically focusses on the catalytic properties originating from both functional groups as well as doping. An in-depth literature on the various reaction catalysed by metal oxide based nanoparticles supported on GO/rGO has also been incorporated with a special focus on the overall catalytic efficiency with respect to graphene contribution. The future research prospective in the aforementioned field has also been discussed.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 11","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142459336","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}
Chemical recordPub Date : 2024-10-21DOI: 10.1002/tcr.202400112
Dr. Pargat Singh, Abhijeet Singh, Dr. Dileep Kumar Singh, Prof. Dr. Mahendra Nath
{"title":"Applications of Clauson-Kaas Reaction in Organic Synthesis","authors":"Dr. Pargat Singh, Abhijeet Singh, Dr. Dileep Kumar Singh, Prof. Dr. Mahendra Nath","doi":"10.1002/tcr.202400112","DOIUrl":"10.1002/tcr.202400112","url":null,"abstract":"<p>Pyrrole-embedded organic molecules received a considerable importance due to their numerous biological and material applications. Hence, several synthetic strategies have been devised for the construction of diverse pyrrole analogues over the years. Among these, the Clauson-Kaas reaction is one of the most widely used protocols for the synthesis of various <i>N</i>-substituted pyrroles. This review briefly describes the Clauson-Kaas reaction along with modifications and a detailed account on its applications in the various sectors of organic synthesis.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 11","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142459333","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}
Chemical recordPub Date : 2024-10-18DOI: 10.1002/tcr.202400116
Fatemeh Doraghi, Mohammad Mahdi Aghanour Ashtiani, Mahmoud Ameli, Bagher Larijani, Dr. Mohammad Mahdavi
{"title":"Transition Metal-Catalyzed C−H Activation/Functionalization of 8-Methylquinolines","authors":"Fatemeh Doraghi, Mohammad Mahdi Aghanour Ashtiani, Mahmoud Ameli, Bagher Larijani, Dr. Mohammad Mahdavi","doi":"10.1002/tcr.202400116","DOIUrl":"10.1002/tcr.202400116","url":null,"abstract":"<p>8-Methylquinoline is regarded as an ideal substrate to participate in diversely C(sp<sup>3</sup>)−H functionalization reactions. The presence of the chelating nitrogen atom enables 8-methylquinoline to easily form cyclometallated complexes with various transition metals, leading to the selective synthesis of functionalized quinolines. Considering the great importance of quinoline cores in medicinal chemistry, in this review article, we have covered the publications related to the C−H activation and functionalization of 8-methylquinoline under transition metal catalysis during the last decade.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":"24 11","pages":""},"PeriodicalIF":7.0,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142459338","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}