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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":null,"pages":null},"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
The pKa Values of Water in Water: A Long-Standing, Tiresome, yet Soon Forgotten Issue? 水中水的 pKa 值：一个长期存在、令人厌倦但很快就会被遗忘的问题？
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.167
Antonio Togni
{"title":"The pKa Values of Water in Water: A Long-Standing, Tiresome, yet Soon Forgotten Issue?","authors":"Antonio Togni","doi":"10.2533/chimia.2024.167","DOIUrl":"https://doi.org/10.2533/chimia.2024.167","url":null,"abstract":"The pKa values of water and the hydrogen ion (proton) in water are 14 and 0, respectively. Yet, many textbooks of general, organic, and, to a lesser extent, inorganic chemistry provide the incorrect values 15.74 and -1.74, respectively. This column briefly introduces the long-standing issue of these two different pairs of values, the consequences it bears when teaching general chemistry, and expresses the hope that it may be solved soon.","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140377058","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
A New Chapter for Swiss Materials Chemistry 瑞士材料化学的新篇章
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.165
Jovana V. Milić, S. Boehme
{"title":"A New Chapter for Swiss Materials Chemistry","authors":"Jovana V. Milić, S. Boehme","doi":"10.2533/chimia.2024.165","DOIUrl":"https://doi.org/10.2533/chimia.2024.165","url":null,"abstract":"\u0000\u0000\u0000The division dedicated to materials chemistry at the Swiss Chemical Society (SCS) has been recently restructured by merging the Division for Polymers, Colloids, and Interfaces (DCPI) with the Materials Chemistry Network (MatChem). This column provides more insights into the process while outlining the vision and activities of the newly established SCS Division of Materials Chemistry (DMC).\u0000\u0000\u0000","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140375910","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":null,"pages":null},"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":null,"pages":null},"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":null,"pages":null},"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
EFMC-ISCB 2023 EFMC-ISCB 2023
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.174
Kevin Schiefelbein
{"title":"EFMC-ISCB 2023","authors":"Kevin Schiefelbein","doi":"10.2533/chimia.2024.174","DOIUrl":"https://doi.org/10.2533/chimia.2024.174","url":null,"abstract":"","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140374365","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":null,"pages":null},"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
PCC Christmas Symposium Basel 2023 2023 年巴塞尔 PCC 圣诞研讨会
IF 1.2 4区 化学
Chimia Pub Date : 2024-03-27 DOI: 10.2533/chimia.2024.172
Gladwin Suryatin Alim, Tzu-Chin Chang Chien, J. Coats, Ilse Friedländer, Salome Heim, B. Higginson, Annika Huber, Charlotte Kress, Anton Kudashev, Elizaveta Maksimova, Elinor Morris, Livia Müller, Andreas Ostertag, Mahsa Parvizian, Carlotta Seno, D. Wagner, Joël Wellauer
{"title":"PCC Christmas Symposium Basel 2023","authors":"Gladwin Suryatin Alim, Tzu-Chin Chang Chien, J. Coats, Ilse Friedländer, Salome Heim, B. Higginson, Annika Huber, Charlotte Kress, Anton Kudashev, Elizaveta Maksimova, Elinor Morris, Livia Müller, Andreas Ostertag, Mahsa Parvizian, Carlotta Seno, D. Wagner, Joël Wellauer","doi":"10.2533/chimia.2024.172","DOIUrl":"https://doi.org/10.2533/chimia.2024.172","url":null,"abstract":"","PeriodicalId":9957,"journal":{"name":"Chimia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140377460","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":null,"pages":null},"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
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