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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。
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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。
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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。
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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。
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引用次数: 0
Z-scheme single-atom photocatalyst for advanced oxidation processes 用于高级氧化过程的 Z 型单原子光催化剂
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-05-27 DOI: 10.1016/j.coche.2024.101028
Penghui Yi , Yu Li , Xi-Lin Wu , Xiaoguang Duan

Single-atom catalysts (SACs) have attracted widespread interest due to their exceptional properties in heterogeneous catalysis. Recently, Z-scheme photocatalysts-based SACs are emerging as a versatile catalytic system for environmental applications. This review succinctly introduces the synthetic strategies for SAC-based Z-scheme photocatalysts and highlights their recent progress in advanced oxidation processes (AOPs). The applications of Z-scheme SAC-mediated AOPs in wastewater treatment are summarized, including photo-Fenton-like reactions, photocatalysis, and piezo-photocatalysis technologies. Additionally, the advantages of the Z-scheme heterojunction in photocatalysis and the corresponding Z-scheme charge-transfer mechanisms are discussed. This review offers valuable insights into the potential applications of SAC-based Z-scheme photocatalysts for environmental remediation and aims to inspire future research on advanced SACs.

单原子催化剂(SAC)因其在异相催化中的特殊性能而受到广泛关注。最近,基于 Z 型光催化剂的 SAC 正在成为环境应用领域的一种多功能催化体系。本综述简明扼要地介绍了基于 Z-scheme光催化剂的 SAC 的合成策略,并重点介绍了它们在高级氧化过程(AOPs)中的最新进展。综述了 Z 型 SAC 介导的 AOP 在废水处理中的应用,包括类光芬顿反应、光催化和压电光催化技术。此外,还讨论了 Z 型异质结在光催化中的优势以及相应的 Z 型电荷转移机制。这篇综述为基于 SAC 的 Z 型光催化剂在环境修复方面的潜在应用提供了宝贵的见解,旨在启发未来对先进 SAC 的研究。
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引用次数: 0
Present achievements and future directions of advanced carbon dioxide reduction strategies 先进二氧化碳减排战略的当前成就和未来方向
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-05-27 DOI: 10.1016/j.coche.2024.101029
Dhanalakshmi Vadivel , Daniele Dondi , Andrea G Capodaglio

The aim of this paper is to assess carbon dioxide (CO2) reduction research and strategies, in view of the 2030 Sustainable Development Goals (SDG), and in particular SDG 13 ‘Climate Action’, achievement. According to current understanding, limiting global warming to a determined temperature level requires stabilization of atmospheric greenhouse gases by achieving net-zero emissions. This implies that all residual emissions should be counterbalanced by natural or technical long-term storage sinks. Therefore, CO2 reduction and storage appear to be essential for curtailing global warming and for the stabilization of global climate, as a precondition for the achievement of SDGs. Catalyst preparation has a high impact on carbon removal technology, especially as far as the most promising methods, such as electrochemical and photochemical reduction, are concerned. Even if the two technologies might preliminarily appear different, the inner mechanisms, that is, electron transfer and surface absorption, are common to both. This study analyses recent literature on CO2 catalytic reduction through the analysis of network maps created by VOSviewer to spotlight the most promising areas for the sector’s improvement.

本文旨在根据 2030 年可持续发展目标(SDG),特别是 SDG 13 "气候行动 "的实现情况,评估二氧化碳(CO2)减排研究和战略。根据目前的理解,要将全球变暖限制在确定的温度水平,就必须通过实现净零排放来稳定大气中的温室气体。这意味着所有剩余排放量都应通过自然或技术上的长期储存汇来抵消。因此,作为实现可持续发展目标的先决条件,减少和封存二氧化碳似乎对遏制全球变暖和稳定全球气候至关重要。催化剂的制备对除碳技术有很大影响,尤其是最有前途的方法,如电化学和光化学还原。尽管这两种技术初步看来可能有所不同,但其内在机理,即电子转移和表面吸收,却是共通的。本研究通过分析 VOSviewer 绘制的网络图,对有关二氧化碳催化还原的最新文献进行了分析,以突出该领域最有前途的改进领域。
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引用次数: 0
Mathematical modeling of reversible deactivation radical polymerization 可逆失活自由基聚合的数学建模
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-05-18 DOI: 10.1016/j.coche.2024.101026
Enrique Saldívar-Guerra

Since its creation and diversification 30 years ago, reversible deactivation radical polymerization (RDRP) has gained tremendous relevance as a powerful and versatile set of techniques for the robust synthesis of precise polymer architectures for advanced applications. In parallel, mathematical models for the polymerization kinetics, molar mass distributions, and copolymer characteristics have rapidly developed and gained sophistication and detail. The aim of this review is to provide a summary of the most important modeling techniques used in RDRP and a brief description of the most recent literature on the subject, highlighting the most relevant issues and subjects addressed in these works.

可逆去活化自由基聚合技术(RDRP)自 30 年前问世并实现多样化以来,作为一套功能强大、用途广泛的技术,已在为先进应用稳健合成精密聚合物结构方面获得了巨大的现实意义。与此同时,有关聚合动力学、摩尔质量分布和共聚物特性的数学模型也得到了迅速发展,并变得越来越复杂和详细。本综述旨在概述 RDRP 中使用的最重要建模技术,并简要介绍有关该主题的最新文献,重点介绍这些著作中涉及的最相关问题和主题。
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引用次数: 0
Towards a Net Zero, socially sustainable and eco-efficient biopharma industry: how far are we? 实现净零、社会可持续和生态高效的生物制药产业:我们还有多远?
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-05-17 DOI: 10.1016/j.coche.2024.101027
Miriam Sarkis , Alasdair T Fyfe , Cleo Kontoravdi , Maria M Papathanasiou

Clinical advances in the space of next-generation vaccines and medicines, together with the advent of platform technologies, have revolutionised the modus operandi of the biopharmaceutical industry. The industry’s core mission for uninterrupted delivery of high-quality, efficacious drugs is now further challenged by bold and necessary targets to operate sustainably. In this paper, we discuss how threefold sustainability that integrates economic, environmental, and social objectives can be achieved through a combination of technological advances, expert knowledge and transparent dialogue. We summarise recent advances in biomanufacturing in terms of novel technologies, intracellular and process-level analytics, and computational models before providing an outlook on how Industry 5.0 principles can be adopted and applied to advance industrial practice.

下一代疫苗和药物领域的临床进展以及平台技术的出现,彻底改变了生物制药行业的运作方式。生物制药行业的核心使命是不间断地提供高质量、高效的药物,而现在,这一使命又面临着可持续运营的大胆而必要的目标的进一步挑战。在本文中,我们将讨论如何通过结合技术进步、专家知识和透明对话,实现经济、环境和社会目标的三重可持续发展。我们从新技术、细胞内和过程级分析以及计算模型等方面总结了生物制造的最新进展,然后展望了如何采用和应用工业 5.0 原则来推动工业实践。
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引用次数: 0
Artificial intelligence applications for fault detection and diagnosis in pharmaceutical bioprocesses: a review 人工智能在制药生物工艺故障检测和诊断中的应用:综述
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-05-11 DOI: 10.1016/j.coche.2024.101025
Mohammad Aghaee , Abhishek Mishra , Stephane Krau , Ibrahim Melih Tamer , Hector Budman

Because of increasing demand and strict regulations, pharmaceutical manufacturers encounter significant hurdles in achieving high productivity while ensuring normal process states. Variability in raw materials and operational disturbances can lead to deviations from normal operating conditions that result in decreased productivity. The implementation of smart fault detection and diagnosis (FDD) techniques is crucial for attaining acceptable productivity and ensuring process safety. In this review, we identify the major challenges of smart FDD in pharmaceutical processes, and we discuss future opportunities and new perspectives.

由于需求不断增长和法规日益严格,制药商在确保正常工艺状态的同时实现高生产率方面遇到了巨大障碍。原材料的多变性和操作干扰会导致偏离正常操作条件,从而降低生产率。实施智能故障检测和诊断 (FDD) 技术对于实现可接受的生产率和确保工艺安全至关重要。在本综述中,我们将指出智能故障检测与诊断技术在制药工艺中面临的主要挑战,并讨论未来的机遇和新的前景。
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引用次数: 0
The development of iron-based catalysts for the reduction of nitrogen and per- and polyfluoroalkyl substances in wastewater treatment: a review 开发用于在废水处理中还原氮和全氟及多氟烷基物质的铁基催化剂:综述
IF 6.6 2区 工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Pub Date : 2024-05-08 DOI: 10.1016/j.coche.2024.101024
Abdulaziz Al-Anazi , Emad F Newair , Changseok Han

This review meticulously explores the innovative application of iron-based catalysts in addressing the pressing environmental challenge of removing nitrogen and per- and polyfluoroalkyl substances (PFAS) from wastewater. Traditional wastewater treatment methods fall short of efficiently eliminating these pervasive pollutants, necessitating the development of more effective, sustainable, and economically viable alternatives. Iron-based catalysts, characterized by their exceptional catalytic reduction capabilities, offer a promising solution. Through various forms, including zero-valent iron, iron oxides, and bimetallic combinations, these catalysts demonstrate a unique ability to break down nitrogen oxides and PFAS into less harmful substances. The review underscores the catalysts’ advantages in terms of reactivity, cost-efficiency, and environmental impact, highlighting their potential to transform wastewater treatment practices. However, it also acknowledges existing challenges, such as catalyst stability and the need for further optimization, to facilitate widespread application. This work advocates for intensified research efforts to refine these catalytic systems, aiming to integrate them seamlessly into future wastewater treatment infrastructures, thereby contributing to the preservation of water quality and public health.

这篇综述细致地探讨了铁基催化剂在解决从废水中去除氮以及全氟和多氟烷基物质(PFAS)这一紧迫环境挑战方面的创新应用。传统的废水处理方法无法有效消除这些普遍存在的污染物,因此需要开发更有效、可持续且经济可行的替代方法。铁基催化剂以其卓越的催化还原能力为特点,提供了一种前景广阔的解决方案。通过零价铁、氧化铁和双金属组合等各种形式,这些催化剂展示了将氮氧化物和全氟辛烷磺酸分解为危害较小的物质的独特能力。综述强调了催化剂在反应性、成本效益和环境影响方面的优势,突出了它们改变废水处理方法的潜力。不过,它也承认了现有的挑战,如催化剂稳定性和进一步优化的必要性,以促进广泛应用。这项工作提倡加强研究工作,完善这些催化系统,旨在将它们无缝集成到未来的废水处理基础设施中,从而为保护水质和公众健康做出贡献。
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引用次数: 0
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