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Operando Nuclear Magnetic Resonance (NMR) Studies of a Trickle-bed Reactor Using D-T2 Correlations. 利用 D-T2 关联对涓流床反应器进行操作性核磁共振 (NMR) 研究。
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.129
Amy Sparks, Lynn Gladden, Colin Brennan, Mick Mantle
{"title":"Operando Nuclear Magnetic Resonance (NMR) Studies of a Trickle-bed Reactor Using D-T2 Correlations.","authors":"Amy Sparks, Lynn Gladden, Colin Brennan, Mick Mantle","doi":"10.2533/chimia.2024.129","DOIUrl":"https://doi.org/10.2533/chimia.2024.129","url":null,"abstract":"<p><p>Catalytic conversions in fine-chemical and pharmaceutical production are increasingly performed in trickle-bed rectors. Optimisation of these processes is usually based on end of pipe measurement made at specific residence times. This process is both time-consuming and the data sometimes challenging to interpret. In the present work, operando nuclear magnetic resonance (NMR) techniques both at the scale of the whole bed (global) and spatially resolved within the bed (local) are used to gain new insights into the catalytic conversion process under reaction conditions. Spatially resolved spectroscopic and diffusion-T2-relaxation (D-T2) methods interrogate local differences in chemical conversion and selectivity, and mass transport (molecular self-diffusion) respectively, thereby providing valuable information for process simulation models. This capability is demonstrated using the continuous flow three phase (gas-liquid-solid) hydrogenation of benzonitrile over a fixed bed of 0.5 wt% Pd/Al2O3 catalyst pellets yielding toluene and benzylamine. Global 1H spectroscopic and D-T2 were used to monitor chemical conversion and the approach to steady state; these were subsequently followed by spatially resolved 1H spectra and spatially resolved D-T2 correlations to examine the local differences in axial conversion and selectivity of the catalyst bed packing. At steady-state a global conversion of 63% was achieved with 65% and 25% selectivity to benzylamine and toluene respectively. Heterogeneities in the local (axial) conversion and selectivity differed by 31% along the total catalyst bed length. These techniques should be applicable to many three-phase heterogeneous catalytic systems provided that the T2 relaxation time of the reactants and products is not prohibitively small.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 3","pages":"129-134"},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140317891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
Towards the Industrial Implementation of Mn-based Catalyst for the Hydrogenation of Ketones and Carboxylic Esters. 实现用于酮和羧酸酯加氢的锰基催化剂的工业化。
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.118
Achim Link, Patrick Furer, Matthew L Clarke, Marc Müller
{"title":"Towards the Industrial Implementation of Mn-based Catalyst for the Hydrogenation of Ketones and Carboxylic Esters.","authors":"Achim Link, Patrick Furer, Matthew L Clarke, Marc Müller","doi":"10.2533/chimia.2024.118","DOIUrl":"https://doi.org/10.2533/chimia.2024.118","url":null,"abstract":"<p><p>There is a constant pressure in industry to move away from platinum group metals (PGM) and achieve more environmentally friendly and sustainable production processes in the future. Recently developed Mn-based catalysts offer an interesting opportunity to complement established catalysts based on Ru. In this article, recent achievements in the field are highlighted and recent achievements in the collaboration of Solvias AG with the group of Prof. M. Clarke towards the implementation of these catalysts on industrial scale are outlined.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 3","pages":"118-122"},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140317892","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
Academia / Industry Collaborations towards the Functionalization of Aryl Azoles. 学术界/产业界合作实现芳基偶氮的功能化。
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.104
Simon Wagschal, Diego Broggini
{"title":"Academia / Industry Collaborations towards the Functionalization of Aryl Azoles.","authors":"Simon Wagschal, Diego Broggini","doi":"10.2533/chimia.2024.104","DOIUrl":"https://doi.org/10.2533/chimia.2024.104","url":null,"abstract":"<p><p>Aryl azoles can be found in numerous active pharmaceutical ingredients (APIs). Milvexian is a Factor Xia inhibitor currently in phase III for the treatment of thrombotic events containing an ortho-substituted 1-aryl-1H-1,2,3-triazole moiety. During the process development of Milvexian, we assessed multiple approaches for the preparation of 4-chloro-1,2,3-triazole, intermediate 1. In this review article, we will detail how we initiated several academic collaborations to speed up the selection of the best synthesis for commercial manufacturing. Ultimately, those results not only helped us to achieve our goal but yielded general methodologies for the functionalization of azoles that extended even beyond our initial scope.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 3","pages":"104-107"},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140317884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
Modeling-based Approach Towards Quality by Design for a Telescoped Process. 基于建模的方法，通过设计提高远程过程的质量。
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.135
This Zahnd, Maja Kandziora, Michael K Levis, Andreas Zogg
{"title":"Modeling-based Approach Towards Quality by Design for a Telescoped Process.","authors":"This Zahnd, Maja Kandziora, Michael K Levis, Andreas Zogg","doi":"10.2533/chimia.2024.135","DOIUrl":"https://doi.org/10.2533/chimia.2024.135","url":null,"abstract":"<p><p>A telescoped, two-step synthesis was investigated by applying Quality by Design principles. A kinetic model consisting of 12 individual reactions was successfully established to describe the synthesis and side reactions. The resulting model predicts the effects of changes in process parameters on total yield and quality. Contour plots were created by varying process parameters and displaying the model predicted process response. The areas in which the process response fulfils predetermined quality requirements are called design spaces. New ranges for process parameters were explored within these design spaces. New conditions were found that increased the robustness of the process and allowed for a considerable reduction of the used amounts of a reagent. Further optimizations, based on the newly generated knowledge, are expected. Improvements can either be direct process improvements or enhancements to control strategies. The developed strategies can also be applied to other processes, enhancing upcoming and preexisting research and development efforts.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 3","pages":"135-141"},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140317890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
Editorial. 社论
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27
Lucie Lovelle
{"title":"Editorial.","authors":"Lucie Lovelle","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 3","pages":"101"},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140317886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
An Alternative Procedure for a Win-win African-Swiss Cooperation in Gold Production in Africa. 非洲与瑞士在非洲黄金生产合作中实现双赢的替代程序。
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.159
Aliyar Mousavi
{"title":"An Alternative Procedure for a Win-win African-Swiss Cooperation in Gold Production in Africa.","authors":"Aliyar Mousavi","doi":"10.2533/chimia.2024.159","DOIUrl":"10.2533/chimia.2024.159","url":null,"abstract":"<p><p>The growth of Africa as a major gold (Au) exporter can not only strengthen economic ties with other parts of the world, but also lead to solutions to global industrial challenges, and the only way to stop gold smuggling out of gold-producing African countries seems to be having multiple refineries in Africa, for which developing gold-producing African countries might need technological assistance provided by a more developed country, especially Switzerland. In this Note, the chemistry of gold mining was discussed, and the idea is conveyed that if aqua regia is used as a main reagent in both gold mining and the electrolytic refinement of gold, then the two systems of gold mining and gold refining can be coupled industrially and geographically, and such a coupling can facilitate the growth of home-grown gold refineries in gold-producing African countries. It is also discussed that with Swiss companies finding it economical to properly use aqua regia in Africa as described, a win-win African-Swiss cooperation will be established that will benefit both the Swiss companies and gold-producing African countries. Further, it is concluded that the addressed cooperation will be accompanied by four of the seventeen goals called 'Sustainable Development Goals' by the United Nations.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 3","pages":"159-161"},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140317885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
Excelzyme: A Swiss University-Industry Collaboration for Accelerated Biocatalyst Development. Excelzyme：加速生物催化剂开发的瑞士产学合作项目。
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.108
Sumire Honda Malca, Peter Stockinger, Nadine Duss, Daniela Milbredt, Hans Iding, Rebecca Buller
{"title":"Excelzyme: A Swiss University-Industry Collaboration for Accelerated Biocatalyst Development.","authors":"Sumire Honda Malca, Peter Stockinger, Nadine Duss, Daniela Milbredt, Hans Iding, Rebecca Buller","doi":"10.2533/chimia.2024.108","DOIUrl":"10.2533/chimia.2024.108","url":null,"abstract":"<p><p>Excelzyme, an enzyme engineering platform located at the Zurich University of Applied Sciences, is dedicated to accelerating the development of tailored biocatalysts for large-scale industrial applications. Leveraging automation and advanced computational techniques, including machine learning, efficient biocatalysts can be generated in short timeframes. Toward this goal, Excelzyme systematically selects suitable protein scaffolds as the foundation for constructing complex enzyme libraries, thereby enhancing sequence and structural biocatalyst diversity. Here, we describe applied workflows and technologies as well as an industrial case study that exemplifies the successful application of the workflow.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 3","pages":"108-117"},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140317888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
Interfacial Chemistry and Catalysis of Inorganic Materials. 无机材料的界面化学与催化。
IF 1.2 4区 化学
Chimia Pub Date : 2024-02-28 DOI: 10.2533/chimia.2024.7
Tzu-Chin Chang Chien, Murielle F Delley
{"title":"Interfacial Chemistry and Catalysis of Inorganic Materials.","authors":"Tzu-Chin Chang Chien, Murielle F Delley","doi":"10.2533/chimia.2024.7","DOIUrl":"https://doi.org/10.2533/chimia.2024.7","url":null,"abstract":"<p><p>Heterogeneous catalysis is essential to most industrial chemical processes. To achieve a better sustainability of these processes we need highly efficient and highly selective catalysts that are based on earth-abundant materials rather than the more conventional noble metals. Here, we discuss the potential of inorganic materials as catalysts for chemical transformations focusing in particular on the promising transition metal phosphides and sulfides. We describe our recent and current efforts to understand the interfacial chemistry of these materials that governs catalysis, and to tune catalytic reactivity by controlled chemical modification of the material surfaces and by use of interfacial electric fields.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 1-2","pages":"7-12"},"PeriodicalIF":1.2,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140012284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
Capturing the Chirality of Photoexcited States with Ultrafast Circular Dichroism. 利用超快圆二色性捕捉光激发态的手性。
IF 1.2 4区 化学
Chimia Pub Date : 2024-02-28 DOI: 10.2533/chimia.2024.45
Malte Oppermann
{"title":"Capturing the Chirality of Photoexcited States with Ultrafast Circular Dichroism.","authors":"Malte Oppermann","doi":"10.2533/chimia.2024.45","DOIUrl":"https://doi.org/10.2533/chimia.2024.45","url":null,"abstract":"<p><p>Chiral molecules exist in two forms, called enantiomers, which are mirror images of each other but non-superimposable. Even though enantiomers share most chemical and physical properties, they may differ greatly in their (bio-)chemical activities, which turns chirality into a key design feature for (bio-)chemical function. In this spirit, the incorporation of chiral structures into photochemical systems has emerged as a powerful strategy to control their functions. For example, uni-directional molecular motors, chiral photocatalysts, and chiral metal nanostructures permit new levels of stereocontrol over mechanical motion, energy transfer, and electric charge-carriers on the nanoscale. However, the direct characterization of the underlying chiral photoexcited states remains a formidable experimental challenge - especially in the native solution phase of many photochemical processes. Crucially, this requires analytical techniques that combine a high chiral sensitivity in solution with ultrafast time resolution to capture the excited state dynamics. This brief perspective article presents recent progress in the development of ultrafast chiral spectroscopy techniques that address this challenge.</p>","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 1-2","pages":"45-49"},"PeriodicalIF":1.2,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140012320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
Editorial. 社论
IF 1.2 4区 化学
Chimia Pub Date : 2024-02-28
Catherine Housecroft
{"title":"Editorial.","authors":"Catherine Housecroft","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":9957,"journal":{"name":"Chimia","volume":"78 1-2","pages":"6"},"PeriodicalIF":1.2,"publicationDate":"2024-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140012321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 0
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