Reaction Chemistry & Engineering最新文献

{"title":"Towards continuous flow manufacturing of active pharmaceutical ingredients in Africa: a perspective","authors":"Sinazo Nqeketo and Cloudius R. Sagandira","doi":"10.1039/D4RE00299G","DOIUrl":"10.1039/D4RE00299G","url":null,"abstract":"<p >Africa has a double burden of communicable and non-communicable diseases, accounting for 26% of the global disease burden. Pharmaceutical medicines are critical components in treating these diseases; however, only 3% of global drug production is carried out in Africa, which results in limited access to medicines. The local active pharmaceutical ingredient (API) manufacturing industry is not well established. Africa hugely depends on imports. Thus, the need to establish local API manufacturing capability is obvious. In this review, we highlight the efforts and hurdles in the local manufacturing of APIs and recommend sustainable ways to establish local continuous flow API manufacturing capability. Continuous flow manufacturing is an innovative and enabling technology platform that is increasingly impacting the pharmaceutical industry. Africa can leverage continuous flow technology to establish a state-of-the-art, sustainable, competitive local API manufacturing industry. Although this approach is noble, it is not without its challenges. Some of the current challenges for the full-scale implementation of continuous flow manufacturing in Africa include the lack of pilot scale or demonstration facilities to bridge the chasm between research and commercialization, inadequate funding, prohibitive infrastructure costs and scarcity of skilled local talents with knowledge and expertise in modern manufacturing techniques. This review also showcases all examples in which continuous flow technology has been successfully applied exclusively in API syntheses within the African continent. The grand vision is to contribute towards the transformation of Africa into an innovation-led, technology-based and knowledge-based continent through the adoption of cutting edge innovative and enabling technologies. This can transform the local pharmaceutical industry into a responsive industry that meets continental health security, social, economic and political needs according to the African Union's Agenda 2063, Sustainable Development Goal 3 (SDG3) and Universal Health Coverage (UHC) goals.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 10","pages":" 2532-2551"},"PeriodicalIF":3.4,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141862698","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computer-aided multi-objective optimization integrated with multi-dimensional assessment for oil to chemical process†","authors":"Xin Zhou, Zhibo Zhang, Huibing Shi, Deming Zhao, Yaowei Wang, Hao Yan, Hui Zhao, Yibin Liu, Haiyan Luo, Weitao Zhang, Xiaobo Chen, Lianying Wu and Chaohe Yang","doi":"10.1039/D4RE00219A","DOIUrl":"10.1039/D4RE00219A","url":null,"abstract":"<p >With the upsurge in the proven exploitation of offshore oil and the anticipated deceleration of the consumption of auto fuels (gasoline and diesel), the technique of transforming oil into chemicals holds enormous promise to boost the upcoming industry transition. Herein, we propose a novel route for maximizing chemical production from offshore crude oil <em>via</em> a one-step process (OCOCC). The innovative patented two-stage riser reactor is capable of executing diverse refining scenarios. A multi-objective optimization strategy was employed to conduct molecular-level modeling procedures. Furthermore, the case study of integrated offshore green wind power and seawater desalination in the OCOCC process is also executed. The results indicated that the integrated OCOCC process could expeditiously convert offshore paraffin-based crude oil into ethene and propene beyond 40 wt% and highlight its outstanding financial, social, lifestyle, and ecological benefits. These observations could energetically influence technique enhancement, as well as optimization.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 10","pages":" 2794-2817"},"PeriodicalIF":3.4,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141862702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design strategy for effective supported Au–Pd catalysts for selective oxidation of 5-hydroxymethylfurfural under mild conditions†","authors":"Tamara S. Kharlamova, Konstantin L. Timofeev, Denis P. Morilov, Mikhail A. Salaev, Andrey I. Stadnichenko, Olga A. Stonkus and Olga V. Vodyankina","doi":"10.1039/D4RE00355A","DOIUrl":"10.1039/D4RE00355A","url":null,"abstract":"<p >Preparation of catalysts with predesigned composition, structure and distribution of active species is an important challenge as such characteristics determine the catalytic performance. This work introduces a strategy to rationally design effective catalysts for the selective HMF oxidation to FDCA under mild conditions. We show the effect of the preparation technique (impregnation, deposition–precipitation, impregnation–reduction) on the active species formation in ZrO<small>₂</small>-supported Au, Pd, and AuPd catalysts, discuss the effects of the metal dispersion and state on the catalyst performance and provide insight into reaction pathways of aerobic HMF oxidation over bimetallic AuPd/ZrO<small>₂</small> catalysts. The impregnation–reduction allows preparing the active mono- and bimetallic catalysts in contrast to other techniques used, with the bimetallic formulations featuring the enhanced catalyst performance caused by the synergistic effect. The alloyed Au<small>_0.56</small>Pd<small>_0.44</small>/ZrO<small>₂</small> catalyst shows a per-site TOF of 0.25 s<small>⁻¹</small> that is ∼4 times higher than the one for the Au/ZrO<small>₂</small> catalysts.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 10","pages":" 2691-2709"},"PeriodicalIF":3.4,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141862700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Biphasic phase-transfer catalysis: epoxidation of vegetable oils by surface active ionic liquids in water†","authors":"Markus Hegelmann, Wilson F. Bohórquez, Johannes Luibl, Andreas Jess, Alvaro Orjuela and Mirza Cokoja","doi":"10.1039/D4RE00215F","DOIUrl":"10.1039/D4RE00215F","url":null,"abstract":"<p >Vegetable oils (VOs) are an environmentally benign alternative and sustainable carbon feedstock for various industrially relevant compounds, <em>e.g.</em> epoxidized products (EVOs). The commercial production of EVOs is a heterogeneous liquid–liquid reaction with low reaction rates and a limited epoxide selectivity. Furthermore, the separation of the EVOs from the reaction mixture is very intricate, limiting large-scale applicability. In this work, we introduce surface-active imidazolium tungstate ionic liquids (SAILs) as sustainable catalysts for the epoxidation of VOs in water using hydrogen peroxide as a green oxidant. Micelle formation and substrate uptake into the aqueous phase depend on the nature of the cation of the SAIL catalyst, which was studied by dynamic light scattering (DLS), transmission electron microscopy (TEM) and cryo-TEM at various concentrations and temperatures. Recycling studies demonstrate that the catalyst remains in the aqueous phase and can be recovered completely. The absence of the catalyst and additive in the product phase is verified by inductively coupled plasma mass spectrometry (ICP-MS) and <small>³¹</small>P-NMR spectroscopy.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 10","pages":" 2710-2717"},"PeriodicalIF":3.4,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/re/d4re00215f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141780952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reliable sizing-up of the 3D curved circular microchannel reactor for continuous flow synthesis of a zidovudine intermediate†","authors":"Haohui Yan, Yan Chen, Peiwen Liu, Weiping Zhu and Fang Zhao","doi":"10.1039/D4RE00200H","DOIUrl":"10.1039/D4RE00200H","url":null,"abstract":"<p >Herein, we report a size scale-up method for a 3D curved circular microchannel reactor (3D-CCMR), based on a rule of keeping fluid velocity and residence time constant during sizing-up and validated <em>via</em> computational fluid dynamics simulation with mixing index as the key evaluation indicator. The energy dissipation rate was also investigated <em>via</em> simulation to evaluate the energy consumption during sizing-up. Then, a scaled-up microreactor (3D-CCMR-2), aiming at a throughput scale-up factor of 4, was manufactured, and it was proved experimentally that the mass and heat transfer performance was not deteriorated in 3D-CCMR-2 as compared to the original microreactor (3D-CCMR-1). Ultimately, the continuous flow synthesis of the intermediate of anti-AIDS drug zidovudine was performed in both 3D-CCMRs and an actual throughput scale-up factor of 4.0 was achieved. The work in this paper represents the first key step for the scale-up of continuous flow synthesis of zidovudine, and the sizing-up strategy proposed in this paper could offer good guidelines for the size scale-up of microreactors.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 10","pages":" 2750-2761"},"PeriodicalIF":3.4,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141780871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanistic insights into C-O Bond Cleavage in Erythritol During Hydrodeoxygenation on Ir-ReOx Catalyst","authors":"Ajin Rajan, Jithin John Varghese","doi":"10.1039/d4re00245h","DOIUrl":"https://doi.org/10.1039/d4re00245h","url":null,"abstract":"1,4-butanediol (1,4-BDO) is a key ingredient in the polymer industry. When derived from renewable erythritol, it can pave the way for sustainable poly(butylene terephthalate), polyurethane and polyester manufacturing. Hydrodeoxygenation (HDO) of erythritol on Brønsted acidic metal-metal oxide catalysts can result in 1,4-BDO, among other alcohols. Selective synthesis of 1,4-BDO requires deep insights on the preference for the cleavage of the different C-O bonds and the energy landscape for the formation of other polyol intermediates. In this work, we used density functional theory (DFT) simulations to investigate HDO of erythritol and other polyol intermediates on an inverse Ir-ReOx catalyst, where rhenium oxide is dispersed on iridium. While Ir nanoparticles can drive HDO through dehydroxylation, a protonation and dehydration mechanism happening at the Ir-ReOx interface has greater kinetic relevance. We show the kinetic preference for secondary C-O cleavage in erythritol to explain the predominant formation of 1,2,4-butanetriol (1,2,4-BTO) during erythritol HDO. The kinetic preference for 1,4-BDO formation from the 1,2,4-BTO makes it the most prominent butanediol during erythritol HDO. C-O bond cleavage in 1,4-BDO has a high barrier making 1,4-BDO less reactive in a polyol mixture. This indicates potentially selectivity formation of 1,4-BDO, with a possibility of tuning reaction conditions and reaction time to maximise its yield. Our analyses reveal that C-O cleavage is not always the kinetically relevant step and it can be the hydrogenation that follows the C-O cleavage. Hence, reactions at high hydrogen pressure and lower temperatures might suit higher selectivity towards desired alcohols such as 1,4-BDO.","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":"82 1","pages":""},"PeriodicalIF":3.9,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141780870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Continuous-inline extraction of polar co-solvent during sequential flow reactions†","authors":"Kwihwan Kobayashi, Jun Matsuzawa, Hajime Kawanami and Nagatoshi Koumura","doi":"10.1039/D4RE00276H","DOIUrl":"10.1039/D4RE00276H","url":null,"abstract":"<p >The development of multistep flow synthesis methods for fine chemicals and pharmaceuticals is desirable in terms of cost and energy efficiency. Methods for connecting the first and second flow reactions are essential for the development of multistep flow reactions; however, some reactions are incompatible with necessary solvents. Herein, we developed continuous-removal methods for polar co-solvents that negatively affect subsequent reactions. These sequential flow reactions facilitated the production of multicomponent compounds from simple starting materials. Furthermore, scaled-up experiments for the sequential flow reaction using reaction columns approximately 40 times larger than the original were successfully conducted, with a productivity of 16.1 g h<small>⁻¹</small>. We believe that our continuous extraction method holds promise for various sequential flow reactions for the synthesis of fine chemicals and pharmaceuticals.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 12","pages":" 3116-3121"},"PeriodicalIF":3.4,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141754065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Engineering the grain boundary and surface sites of binary Cu–Mn catalysts to boost CO oxidation†","authors":"Xiangxue Zhang, Xinyi Chao, Nina Fei, Wenyao Chen, Gang Qian, Jing Zhang, De Chen, Xuezhi Duan, Xinggui Zhou and Weikang Yuan","doi":"10.1039/D4RE00222A","DOIUrl":"10.1039/D4RE00222A","url":null,"abstract":"<p >The catalytic oxidation of CO over Cu-based catalysts has garnered significant interest due to their promising potential in addressing environmental pollution and enhancing industrial processes. Herein, we report a dual-stimuli strategy to boost the catalytic performance of CO oxidation <em>via</em> synergistically harnessing active Cu<small>⁺</small> species with oxygen vacancies by engineering the grain boundary of Cu–Mn catalysts. Nanorod-like MnO<small>₂</small> with a tunnel structure was prepared by a hydrothermal method and employed as the catalyst support, where different amounts of Cu were further introduced <em>via</em> impregnation to obtain Cu/MnO<small>₂</small> catalysts. It is found that apart from the highly dispersed Cu species within the MnO<small>₂</small> lattice to create lattice mismatch and distortion, some Cu are present as oxidized nanoparticles over the MnO<small>₂</small> surface, thus sparking off increased dislocations and grain boundaries. A combination of characterization methods demonstrates that the proportion of active Cu<small>⁺</small> species decreases with increasing amount of Cu, presenting an inverse relationship to the abundance of oxygen vacancies over the catalyst surface. Correspondingly, both Cu<small>⁺</small> species and oxygen vacancies are identified as the main active sites for the adsorption and activation of CO and O<small>₂</small>, respectively. Therefore, a trade-off between the percentage of active Cu<small>⁺</small> species and oxygen vacancies for the 15% Cu/MnO<small>₂</small> catalyst with a moderate Cu introduction contributes to its highest catalytic activity, with <em>T</em><small>₅₀</small> and <em>T</em><small>₉₀</small> reaching 66 °C and 89 °C, respectively. This investigation highlights the potential of synergistically harnessing active Cu<small>⁺</small> species with oxygen vacancies <em>via</em> grain boundary engineering for enhanced catalytic performance in CO oxidation applications.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 10","pages":" 2659-2668"},"PeriodicalIF":3.4,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141745390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Extraction by ionic liquids for the case of detoxification of lignocellulosic hydrolysates","authors":"Konstantza Tonova, Svetlana Zhivkova, Madlena Lazarova and Ahmad Mustafa","doi":"10.1039/D4RE00154K","DOIUrl":"10.1039/D4RE00154K","url":null,"abstract":"<p >This study deals with hydrophobic phosphonium ionic liquids (ILs), phosphinate and neodecanoate, used in liquid–liquid extraction for the purpose of complex detoxification of lignocellulosic hydrolysates from inhibitors, whilst preserving the sugar content. The topic is considered from two aspects, a theoretical one in which extraction from a model multicomponent solution composed of acids, furan, phenolics, and sugars is investigated, and practically by employing a real rice straw hydrolysate. Using the model solution in cross-current extraction mode, the main process parameters, pH and concentration of the ILs, are studied. The extraction mechanisms of acids (sulfuric, gallic, acetic and levulinic acids) and aldehydes (vanillin and furfural) are established. Extraction of the acids in both ILs proceeds by a competitive mechanism until the two reactive H-bonding sites located at the two oxygen atoms in the IL's anion are occupied. In addition to H-bonding, extraction of the phenolic acid is substantially assisted by hydrophobic interactions, while the sulfuric acid is readily extracted by protonation of the IL's anion. An above-stoichiometric extraction of acids by phosphonium phosphinate has been found, which occurs by acid–acid H-bonds between phenolic and organic acids. Co-extraction between phenolic acid and phenolic and furanic aldehydes is observed which is based on the H-bonds that exist in acidic media and the staking interactions of the aromatic rings. The extraction of real rice straw hydrolysate carried out in three runs reaches a high removal of organic acids (over 63%), furans (over 80%) and phenolic compounds (over 97%) in each run.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 10","pages":" 2610-2622"},"PeriodicalIF":3.4,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141722384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Outstanding Reviewers for Reaction Chemistry & Engineering in 2023","authors":"","doi":"10.1039/D4RE90019G","DOIUrl":"10.1039/D4RE90019G","url":null,"abstract":"<p >We would like to take this opportunity to thank all of <em>Reaction Chemistry &amp; Engineering</em>'s reviewers for helping to preserve quality and integrity in chemical science literature. We would also like to highlight the Outstanding Reviewers for <em>Reaction Chemistry &amp; Engineering</em> in 2023.</p>","PeriodicalId":101,"journal":{"name":"Reaction Chemistry & Engineering","volume":" 8","pages":" 1993-1993"},"PeriodicalIF":3.4,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}