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Dynamic data-driven models for complex pharmaceutical reactions — the dynamic response surface methodology 复杂制药反应的动态数据驱动模型--动态响应面法
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-08-06 DOI: 10.1016/j.coche.2024.101045
Christos Georgakis

Modern robotic equipment has yielded a plethora of time-resolved data collected during a set of experiments aiming to study the kinetics of a pharmaceutical reaction. This has generated the need for a modeling methodology that will represent the reaction’s time evolution. The present communication highlights the main characteristics of the Dynamic Response Surface Methodology (DRSM), which generalizes the classical Response Surface Methodology by incorporating time as an independent variable in the estimated data-driven model. We also highlight the process insights this model reveals. Besides listing the substantial number of studies that have used this type of model, we also describe how the DRSM models of all the measured species can be used to discover the stoichiometric model of a reaction system. Some comparisons with other data-driven modeling approaches are commented upon.

现代机器人设备在一系列旨在研究制药反应动力学的实验中收集了大量时间分辨数据。这就需要有一种建模方法来表示反应的时间演变。动态响应面方法(DRSM)将时间作为自变量纳入数据驱动模型的估算中,从而推广了经典的响应面方法。我们还强调了这一模型所揭示的过程启示。除了列举大量使用这种模型的研究之外,我们还介绍了如何使用所有测量物种的 DRSM 模型来发现反应系统的化学计量模型。我们还对与其他数据驱动建模方法的一些比较进行了评论。
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引用次数: 0
End-to-end process flowsheet modeling for biopharmaceutical production: current state and future potential 生物制药生产的端到端工艺流程建模:现状与未来潜力
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-07-26 DOI: 10.1016/j.coche.2024.101044
Nikola G Malinov, Katherine Raudenbush-Henderson, Chaoying Ding, Jayanth V Reddy, Marianthi G Ierapetritou

As the biopharmaceutical industry advances to meet the pressures of an expanding product portfolio and global demand, it will continue to face new challenges while concurrently implementing Quality-by-Design principles. At this forefront, flowsheet modeling frameworks will become increasingly important in silico decisional tools during the process design phase. Flowsheet models further enable screening of process configurations, evaluation of technological alternatives, and identification and alleviation of potential bottlenecks within the context of technoeconomic and environmental impact studies. This review summarizes the recent literature on flowsheet methodologies within the monoclonal antibody sector. Key gaps and assumptions, primarily in the simulation of upstream production, present in current flowsheet approaches are examined. Strategies to overcome the identified assumptions are presented, involving the integration of higher resolution unit operation models to improve the accuracy of process assessments by incorporating biologically relevant constraints while maintaining computational feasibility.

随着生物制药行业的发展,以应对不断扩大的产品组合和全球需求所带来的压力,该行业将继续面临新的挑战,同时还要贯彻质量源于设计的原则。在这一前沿领域,流程表建模框架将在工艺设计阶段成为越来越重要的硅决策工具。在技术经济和环境影响研究的背景下,流程图模型可进一步筛选工艺配置、评估技术替代方案、识别和缓解潜在瓶颈。本综述总结了单克隆抗体领域有关流程表方法的最新文献。对当前流程表方法中存在的主要差距和假设(主要是在模拟上游生产方面)进行了研究。文中还介绍了克服已确定假设的策略,包括整合更高分辨率的单元操作模型,在保持计算可行性的同时纳入生物相关约束条件,从而提高工艺评估的准确性。
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引用次数: 0
Piezocatalytic reduction: an emerging research direction with bright prospects 压电催化还原:前景广阔的新兴研究方向
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-07-24 DOI: 10.1016/j.coche.2024.101043
Hanggara Sudrajat , Ilenia Rossetti , Irene Carra , Juan C Colmenares

Catalytic reduction represents a promising avenue for addressing some of the most pressing challenges in energy and environmental research. However, the absence of efficient electron management has emerged as a fundamental obstacle to practical applications. Piezocatalysis, a newcomer in charge carrier–based catalysis, holds the potential to overcome this bottleneck. By utilizing mechanical energy, the most ubiquitous and accessible source of energy in the environment yet underutilized, piezocatalysis enables efficient charge separation to retard recombination and thereby maximize charge utilization. This review discusses key achievements in piezocatalytic reduction for acquiring clean water, alternative fuels, and high-value-added chemicals. Challenges and potential research directions are outlined to stimulate further discussion.

催化还原是解决能源和环境研究中一些最紧迫挑战的可行途径。然而,缺乏有效的电子管理已成为实际应用的根本障碍。压电催化是电荷载流子催化领域的新生事物,具有克服这一瓶颈的潜力。机械能是环境中最无处不在、最容易获得但却未得到充分利用的能量来源,压电催化利用机械能实现高效电荷分离,延缓重组,从而最大限度地提高电荷利用率。本综述讨论了压电催化还原在获取清洁水、替代燃料和高附加值化学品方面取得的主要成就。此外,还概述了面临的挑战和潜在的研究方向,以激发进一步的讨论。
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引用次数: 0
Step-scheme heterojunction photocatalyst: preparation, application and future outlook 阶梯型异质结光催化剂:制备、应用与未来展望
IF 8 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-07-04 DOI: 10.1016/j.coche.2024.101042
Tingting Li, Wenqing Zhou, Yuxi Lin, Fulin Yang, Fang Deng, Xinman Tu

Photocatalysis utilizes inexhaustible solar energy to provide a green and sustainable solution for environmental remediation and energy storage. The step-scheme (S-scheme) heterojunction was proposed to overcome the deficiencies of traditional type-II and Z-scheme heterojunctions in terms of kinetics and thermodynamics. This review aims to convey the state-of-the-art progress and achievements in the development of S-scheme heterojunctions. Firstly, the origins and fundamental principles of S-scheme heterojunctions were summarized. Secondly, the significant applications of S-scheme heterojunctions photocatalysts in hydrogen/hydrogen peroxide production, CO2 reduction, pollutants degradation and bacteria disinfection were discussed. Thirdly, the facing challenges and prospects of S-scheme heterojunctions in industrial application were highlighted. At last, we proposed the future direction of researching S-scheme heterojunctions, including NIR absorption, interface engineering, co-catalysts, IT techniques and experimental robots, in order to provide novel insight for clean energy exploration and environmental issues treatment.

光催化利用取之不尽、用之不竭的太阳能,为环境修复和能源储存提供了一种绿色、可持续的解决方案。为了克服传统的 II 型和 Z 型异质结在动力学和热力学方面的不足,人们提出了阶梯型(S 型)异质结。本综述旨在介绍 S 型异质结的最新进展和成果。首先,总结了 S 型异质结的起源和基本原理。其次,讨论了 S 型异质结光催化剂在制氢/过氧化氢、二氧化碳还原、污染物降解和细菌消毒等方面的重要应用。第三,强调了 S 型杂质结在工业应用中面临的挑战和前景。最后,我们提出了 S 型异质结的未来研究方向,包括近红外吸收、界面工程、助催化剂、信息技术和实验机器人,以期为清洁能源开发和环境问题处理提供新的见解。
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引用次数: 0
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。
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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。
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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。
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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。
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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。
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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。
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引用次数: 0
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