首页 > 最新文献

Current Opinion in Chemical Engineering最新文献

英文 中文
When the fate of electrons matters — strategies for correct heterojunction classification in photocatalysis 电子的命运很重要--光催化中正确的异质结分类策略
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-07-04 DOI: 10.1016/j.coche.2024.101041
Kaja Spilarewicz , Krystian Mróz , Marcin Kobielusz , Wojciech Macyk

Composites of semiconductors forming various heterojunctions have become more and more extensively explored in photocatalysis, but the heterojunction classification seems abstruse. This paper aims to present a strategy for correctly elucidating the heterojunction type. The following guidelines are proposed: (I) the determination of band alignment, (II) the thermodynamic analysis of the interface, and (III) the verification of charge fate and charge transfer kinetics under irradiation. The experimental techniques appropriate for particular steps, including novel approaches, are listed, and their limitations are identified. Following the presented strategy, it is possible to conduct the analysis, which explores the intricate dynamics of photoinduced charges within correctly classified heterojunctions. Such a strategy gives a more reliable picture than often presented, oversimplified study.

形成各种异质结的半导体复合材料在光催化领域的应用越来越广泛,但异质结的分类似乎很深奥。本文旨在提出一种正确阐明异质结类型的策略。本文提出了以下指导原则:(I) 确定带排列,(II) 界面热力学分析,(III) 验证辐照下的电荷命运和电荷转移动力学。列出了适合特定步骤的实验技术,包括新方法,并指出了其局限性。根据所介绍的策略,可以进行分析,探索正确分类的异质结内光诱导电荷的复杂动态。与通常过于简单的研究相比,这种策略能提供更可靠的图像。
{"title":"When the fate of electrons matters — strategies for correct heterojunction classification in photocatalysis","authors":"Kaja Spilarewicz ,&nbsp;Krystian Mróz ,&nbsp;Marcin Kobielusz ,&nbsp;Wojciech Macyk","doi":"10.1016/j.coche.2024.101041","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101041","url":null,"abstract":"<div><p>Composites of semiconductors forming various heterojunctions have become more and more extensively explored in photocatalysis, but the heterojunction classification seems abstruse. This paper aims to present a strategy for correctly elucidating the heterojunction type. The following guidelines are proposed: (I) the determination of band alignment, (II) the thermodynamic analysis of the interface, and (III) the verification of charge fate and charge transfer kinetics under irradiation. The experimental techniques appropriate for particular steps, including novel approaches, are listed, and their limitations are identified. Following the presented strategy, it is possible to conduct the analysis, which explores the intricate dynamics of photoinduced charges within correctly classified heterojunctions. Such a strategy gives a more reliable picture than often presented, oversimplified study.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101041"},"PeriodicalIF":8.0,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141542559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent progress on S-scheme heterojunction strategy enabling polymer carbon nitrides C3N4 and C3N5 enhanced photocatalysis in energy conversion and environmental remediation 使聚合物碳氮化物 C3N4 和 C3N5 在能量转换和环境修复中实现增强型光催化的 S 型异质结战略的最新进展
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-07-03 DOI: 10.1016/j.coche.2024.101040
Junlei Zhang , Guojia Yu , Chaoyang Yang , Shijie Li

Polymer carbon nitrides, such as C3N4 and C3N5, have considerable promise in photocatalysis because of their unusual thermostability, nontoxicity, and high solar energy usage efficiency. The S-scheme charge transfer mechanism can strengthen the whole photoactivity of a heterojunction by facilitating effective charge separation and maximizing redox capabilities. We outline the evolution from classic C3N4 to current C3N5, as well as the advanced S-scheme heterojunction technique for further photocatalysis advancement in energy conversion and environmental remediation. Furthermore, an outlook on future challenges and prospects for C3N4- and C3N5-based S-scheme heterojunction photocatalysts is presented.

聚合物碳氮化物(如 C3N4 和 C3N5)具有非同寻常的热稳定性、无毒性和较高的太阳能利用效率,因此在光催化领域大有可为。S 型电荷转移机制可促进有效的电荷分离并最大限度地提高氧化还原能力,从而增强异质结的整体光活性。我们概述了从经典的 C3N4 到目前的 C3N5 的演变过程,以及先进的 S-scheme异质结技术,以进一步推动光催化技术在能源转换和环境修复领域的应用。此外,我们还对基于 C3N4 和 C3N5 的 S 型异质结光催化剂的未来挑战和前景进行了展望。
{"title":"Recent progress on S-scheme heterojunction strategy enabling polymer carbon nitrides C3N4 and C3N5 enhanced photocatalysis in energy conversion and environmental remediation","authors":"Junlei Zhang ,&nbsp;Guojia Yu ,&nbsp;Chaoyang Yang ,&nbsp;Shijie Li","doi":"10.1016/j.coche.2024.101040","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101040","url":null,"abstract":"<div><p>Polymer carbon nitrides, such as C<sub>3</sub>N<sub>4</sub> and C<sub>3</sub>N<sub>5</sub>, have considerable promise in photocatalysis because of their unusual thermostability, nontoxicity, and high solar energy usage efficiency. The S-scheme charge transfer mechanism can strengthen the whole photoactivity of a heterojunction by facilitating effective charge separation and maximizing redox capabilities. We outline the evolution from classic C<sub>3</sub>N<sub>4</sub> to current C<sub>3</sub>N<sub>5</sub>, as well as the advanced S-scheme heterojunction technique for further photocatalysis advancement in energy conversion and environmental remediation. Furthermore, an outlook on future challenges and prospects for C<sub>3</sub>N<sub>4</sub>- and C<sub>3</sub>N<sub>5</sub>-based S-scheme heterojunction photocatalysts is presented.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101040"},"PeriodicalIF":8.0,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141542557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The future of digital applications in pharmaceutical operations 制药业务中数字应用的未来
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-06-29 DOI: 10.1016/j.coche.2024.101038
Constantinos C Pantelides, Frances E Pereira

Digital applications (DAs) are online/real-time software systems for decision support and control of process operations. They deliver superior process performance by drawing on accurate models derived from prior scientific and engineering knowledge, combined with plant data. This article reviews recent developments on DAs for open-loop process monitoring and closed-loop control in pharmaceutical operations and analyzes the requirements that they pose on the underlying mathematical models. It also discusses the challenges that need to be overcome to allow their deployment at scale in the pharmaceutical sector.

数字应用程序(DA)是用于决策支持和工艺操作控制的在线/实时软件系统。它们利用从先前的科学和工程知识中得出的精确模型,结合工厂数据,提供卓越的工艺性能。本文回顾了用于制药操作中开环过程监控和闭环控制的 DAs 的最新发展,并分析了 DAs 对底层数学模型提出的要求。文章还讨论了要在制药行业大规模应用这些技术需要克服的挑战。
{"title":"The future of digital applications in pharmaceutical operations","authors":"Constantinos C Pantelides,&nbsp;Frances E Pereira","doi":"10.1016/j.coche.2024.101038","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101038","url":null,"abstract":"<div><p>Digital applications (DAs) are online/real-time software systems for decision support and control of process operations. They deliver superior process performance by drawing on accurate models derived from prior scientific and engineering knowledge, combined with plant data. This article reviews recent developments on DAs for open-loop process monitoring and closed-loop control in pharmaceutical operations and analyzes the requirements that they pose on the underlying mathematical models. It also discusses the challenges that need to be overcome to allow their deployment at scale in the pharmaceutical sector.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101038"},"PeriodicalIF":8.0,"publicationDate":"2024-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141481715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photothermal-mediated advanced oxidation processes for wastewater purification 用于废水净化的光热介导高级氧化工艺
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-06-28 DOI: 10.1016/j.coche.2024.101039
Fengting He , Haijun Chen , Jing Li , Chaocheng Zhao , Jinqiang Zhang , Shaobin Wang

Advanced oxidation processes (AOPs) stand out as promising solutions for wastewater purification. An integration of a photothermal effect in AOPs will bring about a transformative impact on the processes. This innovative approach will boost treatment efficiency and overcome the limitations of the conventional ones. In this review, we thoroughly investigate the progress of applying a photothermal effect on various AOPs technologies for robust wastewater treatment. Our discussion encompasses the origin of the photothermal effect, elucidation of its working principles, and a summary of strategies for engineering the photothermal effect to catalytically remove contaminants. Furthermore, we delve into the diverse applications of photothermal effect in wastewater treatment technologies, spanning photocatalysis, peroxymonosulfate activation, and the Fenton reaction. Finally, we identify some challenges and outline future prospectives for the implementation of photothermal wastewater treatment. This review is anticipated to rejuvenate conventional AOPs, offering more clean, sustainable, and efficient technologies for wastewater treatment.

高级氧化工艺(AOPs)是一种前景广阔的废水净化解决方案。在高级氧化工艺中融入光热效应将对工艺产生变革性影响。这种创新方法将提高处理效率,克服传统方法的局限性。在本综述中,我们深入研究了将光热效应应用于各种 AOPs 技术以实现强效废水处理的进展情况。我们的讨论包括光热效应的起源、其工作原理的阐明,以及光热效应催化去除污染物的工程策略总结。此外,我们还深入探讨了光热效应在废水处理技术中的各种应用,包括光催化、过硫酸盐活化和芬顿反应。最后,我们指出了光热废水处理面临的一些挑战,并概述了未来的发展前景。预计本综述将使传统的 AOP 重获新生,为废水处理提供更清洁、可持续和高效的技术。
{"title":"Photothermal-mediated advanced oxidation processes for wastewater purification","authors":"Fengting He ,&nbsp;Haijun Chen ,&nbsp;Jing Li ,&nbsp;Chaocheng Zhao ,&nbsp;Jinqiang Zhang ,&nbsp;Shaobin Wang","doi":"10.1016/j.coche.2024.101039","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101039","url":null,"abstract":"<div><p>Advanced oxidation processes (AOPs) stand out as promising solutions for wastewater purification. An integration of a photothermal effect in AOPs will bring about a transformative impact on the processes. This innovative approach will boost treatment efficiency and overcome the limitations of the conventional ones. In this review, we thoroughly investigate the progress of applying a photothermal effect on various AOPs technologies for robust wastewater treatment. Our discussion encompasses the origin of the photothermal effect, elucidation of its working principles, and a summary of strategies for engineering the photothermal effect to catalytically remove contaminants. Furthermore, we delve into the diverse applications of photothermal effect in wastewater treatment technologies, spanning photocatalysis, peroxymonosulfate activation, and the Fenton reaction. Finally, we identify some challenges and outline future prospectives for the implementation of photothermal wastewater treatment. This review is anticipated to rejuvenate conventional AOPs, offering more clean, sustainable, and efficient technologies for wastewater treatment.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101039"},"PeriodicalIF":8.0,"publicationDate":"2024-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2211339824000406/pdfft?md5=20f734adaff970ea00793319edbee089&pid=1-s2.0-S2211339824000406-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141481714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Assessing the industrialization progress of hydrodynamic cavitation process intensification technology: a review 评估水动力空化工艺强化技术的产业化进展:综述
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-06-25 DOI: 10.1016/j.coche.2024.101037
Xun Sun , Haozhen Xu , Xiaoxu Xuan , Sivakumar Manickam , Grzegorz Boczkaj , Benlong Wang

Hydrodynamic cavitation (HC) is widely acknowledged as a promising green approach for enhancing various production and waste management processes, such as water treatment, sludge pretreatment, lignocellulosic biomass (LCB) pretreatment, emulsification, and food processing. Despite demonstrating superior industrialization potential compared with other emerging technologies such as ultrasound and microwave, the widespread commercial adoption of HC remained limited even after three decades of development. This review aims to assess the current distance from industrialization and promote the advancement of HC by summarizing recent progress in the pilot or full-scale applications, particularly in biodiesel synthesis, water treatment, and the pretreatment of sludge and LCB. Special attention is given to treatment capacity and economic efficiency.

流体动力空化(HC)被广泛认为是一种很有前途的绿色方法,可用于增强各种生产和废物管理过程,如水处理、污泥预处理、木质纤维素生物质(LCB)预处理、乳化和食品加工。尽管与超声波和微波等其他新兴技术相比,碳氢化合物具有更优越的工业化潜力,但即使经过三十年的发展,其广泛的商业应用仍然有限。本综述旨在通过总结最近在中试或全面应用方面取得的进展,特别是在生物柴油合成、水处理以及污泥和低浓度生物柴油的预处理方面取得的进展,来评估目前与工业化的距离,并促进碳氢化合物的发展。其中特别关注了处理能力和经济效益。
{"title":"Assessing the industrialization progress of hydrodynamic cavitation process intensification technology: a review","authors":"Xun Sun ,&nbsp;Haozhen Xu ,&nbsp;Xiaoxu Xuan ,&nbsp;Sivakumar Manickam ,&nbsp;Grzegorz Boczkaj ,&nbsp;Benlong Wang","doi":"10.1016/j.coche.2024.101037","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101037","url":null,"abstract":"<div><p>Hydrodynamic cavitation (HC) is widely acknowledged as a promising green approach for enhancing various production and waste management processes, such as water treatment, sludge pretreatment, lignocellulosic biomass (LCB) pretreatment, emulsification, and food processing. Despite demonstrating superior industrialization potential compared with other emerging technologies such as ultrasound and microwave, the widespread commercial adoption of HC remained limited even after three decades of development. This review aims to assess the current distance from industrialization and promote the advancement of HC by summarizing recent progress in the pilot or full-scale applications, particularly in biodiesel synthesis, water treatment, and the pretreatment of sludge and LCB. Special attention is given to treatment capacity and economic efficiency.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101037"},"PeriodicalIF":8.0,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141481716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bismuth inorganics-based carbon nitride g-C3N4 heterojunctions for the enhanced photodegradation of organic pollutants and H2 production 基于无机铋的氮化碳 g-C3N4 异质结用于增强有机污染物的光降解和 H2 生产
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-06-19 DOI: 10.1016/j.coche.2024.101036
Yanzhong Zhen , Feng Fu , Yucang Liang

The fabrication of heterojunction has attracted much attention in the photodegradation of organic pollutants and water splitting due to that heterojunction structure markedly improved the separation efficiency of photogenerated carriers. In this review, Z-/S-scheme bismuth inorganics-based graphite carbon nitride heterojunctions are summarized for the enhanced photodegradation of organic pollutants and H2 production. The main active species, photocatalytic degradation mechanism, and pathways of how the various heterojunctions perform the efficient improvement of photocatalytic efficiency are further addressed. Finally, the challenges and perspectives about this aspect of research are emphasized.

由于异质结结构显著提高了光生载流子的分离效率,因此异质结的制作在有机污染物的光降解和水分离方面备受关注。本文综述了 Z-/S 型无机铋基石墨氮化碳异质结在增强有机污染物光降解和 H2 生成方面的应用。进一步探讨了各种异质结如何有效提高光催化效率的主要活性物种、光催化降解机制和途径。最后,强调了这方面研究的挑战和前景。
{"title":"Bismuth inorganics-based carbon nitride g-C3N4 heterojunctions for the enhanced photodegradation of organic pollutants and H2 production","authors":"Yanzhong Zhen ,&nbsp;Feng Fu ,&nbsp;Yucang Liang","doi":"10.1016/j.coche.2024.101036","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101036","url":null,"abstract":"<div><p>The fabrication of heterojunction has attracted much attention in the photodegradation of organic pollutants and water splitting due to that heterojunction structure markedly improved the separation efficiency of photogenerated carriers. In this review, Z-/S-scheme bismuth inorganics-based graphite carbon nitride heterojunctions are summarized for the enhanced photodegradation of organic pollutants and H<sub>2</sub> production. The main active species, photocatalytic degradation mechanism, and pathways of how the various heterojunctions perform the efficient improvement of photocatalytic efficiency are further addressed. Finally, the challenges and perspectives about this aspect of research are emphasized.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101036"},"PeriodicalIF":6.6,"publicationDate":"2024-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2211339824000376/pdfft?md5=a9a3794bc133362a2316ad06a43e0d80&pid=1-s2.0-S2211339824000376-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141429891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advanced methodologies for model-based optimization and control of pharmaceutical processes 基于模型的制药过程优化和控制的先进方法
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-06-18 DOI: 10.1016/j.coche.2024.101035
Francesco Destro , Pavan K Inguva , Prakitr Srisuma , Richard D Braatz

Traditionally, the pharmaceutical industry relied on resource-intensive and empirical methods for process development, optimization, and control. Heuristic approaches to pharmaceutical development and manufacturing have led to an unsustainable number of drug shortages and recalls and to escalating costs for launching new drug products. Optimization and control strategies rooted on process modeling are helping to advance pharmaceutical manufacturing by reducing development times and manufacturing costs, improving productivity and quality control, and enhancing process understanding. This perspective discusses recent developments toward model-based optimization, state estimation, and control of pharmaceutical processes. Ancillary areas such as software tools, equipment and sensor technology, and process modeling are first covered. Then, several recent academic and industrial case studies are discussed to highlight workflows and benefits related to the implementation of model-based optimization, state estimation, and control in (bio)pharmaceutical manufacturing. Finally, strategies for overcoming current challenges in the real-world application of model-based optimization and control are discussed.

传统上,制药业依赖资源密集型的经验方法进行工艺开发、优化和控制。用启发式方法进行药品开发和生产,导致药品短缺和召回数量难以为继,新药上市成本不断攀升。以工艺建模为基础的优化和控制策略有助于缩短开发时间、降低生产成本、提高生产率和质量控制水平,并加深对工艺的理解,从而推动制药业的发展。本视角将讨论基于模型的制药工艺优化、状态估计和控制的最新发展。首先介绍软件工具、设备和传感器技术以及工艺建模等辅助领域。然后,讨论了几个最新的学术和工业案例研究,重点介绍在(生物)制药过程中实施基于模型的优化、状态估计和控制的相关工作流程和优势。最后,讨论了克服当前基于模型的优化和控制在实际应用中面临的挑战的策略。
{"title":"Advanced methodologies for model-based optimization and control of pharmaceutical processes","authors":"Francesco Destro ,&nbsp;Pavan K Inguva ,&nbsp;Prakitr Srisuma ,&nbsp;Richard D Braatz","doi":"10.1016/j.coche.2024.101035","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101035","url":null,"abstract":"<div><p>Traditionally, the pharmaceutical industry relied on resource-intensive and empirical methods for process development, optimization, and control. Heuristic approaches to pharmaceutical development and manufacturing have led to an unsustainable number of drug shortages and recalls and to escalating costs for launching new drug products. Optimization and control strategies rooted on process modeling are helping to advance pharmaceutical manufacturing by reducing development times and manufacturing costs, improving productivity and quality control, and enhancing process understanding. This perspective discusses recent developments toward model-based optimization, state estimation, and control of pharmaceutical processes. Ancillary areas such as software tools, equipment and sensor technology, and process modeling are first covered. Then, several recent academic and industrial case studies are discussed to highlight workflows and benefits related to the implementation of model-based optimization, state estimation, and control in (bio)pharmaceutical manufacturing. Finally, strategies for overcoming current challenges in the real-world application of model-based optimization and control are discussed.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101035"},"PeriodicalIF":6.6,"publicationDate":"2024-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141423292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
On the role of digital tools in nitrosamine risk assessment for drug substance and drug product manufacturing processes 数字工具在药物和药物产品生产过程亚硝胺风险评估中的作用
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-06-08 DOI: 10.1016/j.coche.2024.101030
Ayse Eren , David Moon , Timothy Curran , Carla Luciani

Nitrosamine risk assessments are useful to identify processes and/or materials that exhibit legitimate safety concerns to evaluate appropriate actions and controls. Fundamental understanding of nitrosamine toxicity, formation pathways, fate, and purge aid risk quantification. In this work, available digital tools to aid nitrosamine risk assessments are reviewed. From structure–activity relationships through kinetic models to purge factors, these tools can shed light on the various aspects of a nitrosamine risk assessment. While tremendous progress has been made over the last few years, industry, academia, and government still need to focus on supporting science-based decisions and the integration of diverse tools to provide a holistic view of the nitrosamine risk.

亚硝胺风险评估有助于确定存在合理安全问题的工艺和/或材料,以评估适当的行动和控制措施。从根本上了解亚硝胺的毒性、形成途径、归宿和净化有助于风险量化。在这项工作中,我们回顾了有助于亚硝胺风险评估的可用数字工具。从结构-活性关系到动力学模型,再到净化因子,这些工具可以阐明亚硝胺风险评估的各个方面。虽然在过去几年中已经取得了巨大进步,但工业界、学术界和政府仍需将重点放在支持以科学为基础的决策和整合各种工具上,以提供对亚硝胺风险的整体看法。
{"title":"On the role of digital tools in nitrosamine risk assessment for drug substance and drug product manufacturing processes","authors":"Ayse Eren ,&nbsp;David Moon ,&nbsp;Timothy Curran ,&nbsp;Carla Luciani","doi":"10.1016/j.coche.2024.101030","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101030","url":null,"abstract":"<div><p>Nitrosamine risk assessments are useful to identify processes and/or materials that exhibit legitimate safety concerns to evaluate appropriate actions and controls. Fundamental understanding of nitrosamine toxicity, formation pathways, fate, and purge aid risk quantification. In this work, available digital tools to aid nitrosamine risk assessments are reviewed. From structure–activity relationships through kinetic models to purge factors, these tools can shed light on the various aspects of a nitrosamine risk assessment. While tremendous progress has been made over the last few years, industry, academia, and government still need to focus on supporting science-based decisions and the integration of diverse tools to provide a holistic view of the nitrosamine risk.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101030"},"PeriodicalIF":6.6,"publicationDate":"2024-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141291423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Metal–organic framework–based heterojunctions for photocatalysis 基于金属有机框架的光催化异质结
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-06-06 DOI: 10.1016/j.coche.2024.101033
Ran Tai , Runjie Wu , Mingzhu Zhang , Jie Yuan , John Tressel , Yao Tang , Qiang Wang , Shaowei Chen

Metal–organic frameworks (MOFs) have attracted much attention in photocatalysis due to their unique molecular architecture and diverse composition, where the performance can be effectively enhanced by the construction of heterojunctions. In this review, we summarize the recent progress of MOF-based photocatalysts with traditional heterojunctions (e.g. type I, type II, and p-n type) as well as Z- and S-scheme and even multicomponent heterojunctions, where the advantages and disadvantages of these heterojunctions in their photocatalytic applications toward environmental remediation and energy conversion are critically discussed. The review is concluded with a perspective for the further development of high-performance photocatalysts based on deliberate heterojunction engineering of MOF materials.

金属有机框架(MOFs)因其独特的分子结构和多样化的组成而在光催化领域备受关注。在这篇综述中,我们总结了具有传统异质结(如 I 型、II 型和 p-n 型)以及 Z 型和 S 型甚至多组分异质结的 MOF 基光催化剂的最新进展,并对这些异质结在光催化应用于环境修复和能源转换方面的优缺点进行了深入探讨。综述的最后还展望了基于 MOF 材料的特意异质结工程进一步开发高性能光催化剂的前景。
{"title":"Metal–organic framework–based heterojunctions for photocatalysis","authors":"Ran Tai ,&nbsp;Runjie Wu ,&nbsp;Mingzhu Zhang ,&nbsp;Jie Yuan ,&nbsp;John Tressel ,&nbsp;Yao Tang ,&nbsp;Qiang Wang ,&nbsp;Shaowei Chen","doi":"10.1016/j.coche.2024.101033","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101033","url":null,"abstract":"<div><p>Metal–organic frameworks (MOFs) have attracted much attention in photocatalysis due to their unique molecular architecture and diverse composition, where the performance can be effectively enhanced by the construction of heterojunctions. In this review, we summarize the recent progress of MOF-based photocatalysts with traditional heterojunctions (e.g. type I, type II, and p-n type) as well as Z- and S-scheme and even multicomponent heterojunctions, where the advantages and disadvantages of these heterojunctions in their photocatalytic applications toward environmental remediation and energy conversion are critically discussed. The review is concluded with a perspective for the further development of high-performance photocatalysts based on deliberate heterojunction engineering of MOF materials.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101033"},"PeriodicalIF":6.6,"publicationDate":"2024-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141286532","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bayesian data-driven models for pharmaceutical process development 用于制药工艺开发的贝叶斯数据驱动模型
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-06-05 DOI: 10.1016/j.coche.2024.101034
Hochan Chang, Nathan Domagalski, Jose E Tabora, Jean W Tom

The primary objectives of pharmaceutical development encompass identifying the routes, processes, and conditions for producing medicines while establishing a control strategy to ensure acceptable quality attributes throughout the commercial manufacturing lifecycle. However, achieving these goals is challenged by uncertainties surrounding design decisions for the manufacturing process and variations in manufacturing methods resulting in distributions of outcomes during production. In this discussion, we focus on Bayesian approaches to quantify uncertainty and guide decision-making in process development.Bayesian modeling with Markov chain Monte Carlo proves effective in estimating process reliability. Recent advancements in surrogate models (e.g. Gaussian process, decision trees, and neural networks) offer novel means to quantify uncertainty and have shown success in designing experimental plans that reduce the number of required experiments to determine the optimal process design. By leveraging Bayesian approaches, chemical engineers can enhance their ability to navigate complex decision landscapes and optimize processes for improved efficiency and reliability.

药品开发的主要目标包括确定药品生产的路线、工艺和条件,同时制定控制策略,以确保在整个商业生产生命周期内达到可接受的质量属性。然而,由于生产工艺设计决策的不确定性以及生产方法的变化导致生产过程中的结果分布不均,实现这些目标面临挑战。在本讨论中,我们将重点讨论贝叶斯方法,以量化不确定性并指导工艺开发中的决策。事实证明,使用马尔科夫链蒙特卡罗进行贝叶斯建模可有效估计工艺可靠性。代用模型(如高斯过程、决策树和神经网络)的最新进展提供了量化不确定性的新方法,并在设计实验计划方面取得了成功,减少了确定最佳工艺设计所需的实验次数。利用贝叶斯方法,化学工程师可以提高驾驭复杂决策环境的能力,并优化工艺以提高效率和可靠性。
{"title":"Bayesian data-driven models for pharmaceutical process development","authors":"Hochan Chang,&nbsp;Nathan Domagalski,&nbsp;Jose E Tabora,&nbsp;Jean W Tom","doi":"10.1016/j.coche.2024.101034","DOIUrl":"https://doi.org/10.1016/j.coche.2024.101034","url":null,"abstract":"<div><p>The primary objectives of pharmaceutical development encompass identifying the routes, processes, and conditions for producing medicines while establishing a control strategy to ensure acceptable quality attributes throughout the commercial manufacturing lifecycle. However, achieving these goals is challenged by uncertainties surrounding design decisions for the manufacturing process and variations in manufacturing methods resulting in distributions of outcomes during production. In this discussion, we focus on Bayesian approaches to quantify uncertainty and guide decision-making in process development.Bayesian modeling with Markov chain Monte Carlo proves effective in estimating process reliability. Recent advancements in surrogate models (e.g. Gaussian process, decision trees, and neural networks) offer novel means to quantify uncertainty and have shown success in designing experimental plans that reduce the number of required experiments to determine the optimal process design. By leveraging Bayesian approaches, chemical engineers can enhance their ability to navigate complex decision landscapes and optimize processes for improved efficiency and reliability.</p></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"45 ","pages":"Article 101034"},"PeriodicalIF":6.6,"publicationDate":"2024-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141263847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Current Opinion in Chemical Engineering
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1