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Positron Emission Particle Tracking of Granular Flows. 粒状流的正电子发射粒子跟踪。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-30 DOI: 10.1146/annurev-chembioeng-011620-120633
C R K Windows-Yule, J P K Seville, A Ingram, D J Parker

Positron emission particle tracking (PEPT) is a noninvasive technique capable of imaging the three-dimensional dynamics of a wide variety of powders, particles, grains, and/or fluids. The PEPT technique can track the motion of particles with high temporal and spatial resolution and can be used to study various phenomena in systems spanning a broad range of scales, geometries, and physical states. We provide an introduction to the PEPT technique, an overview of its fundamental principles and operation, and a brief review of its application to a diverse range of scientific and industrial systems.

正电子发射粒子跟踪(PEPT)是一种非侵入性技术,能够成像各种粉末、颗粒、颗粒和/或流体的三维动力学。PEPT技术能够以较高的时间和空间分辨率跟踪粒子的运动,并可用于研究跨越大范围尺度、几何和物理状态的系统中的各种现象。我们介绍了PEPT技术,概述了其基本原理和操作,并简要回顾了其在各种科学和工业系统中的应用。
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引用次数: 41
Covalent Organic Frameworks in Separation. 共价有机框架的分离。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-30 DOI: 10.1146/annurev-chembioeng-112019-084830
Saikat Das, Jie Feng, Wei Wang

In the wake of sustainable development, materials research is going through a green revolution that is putting energy-efficient and environmentally friendly materials and methods in the limelight. In this quest for greener alternatives, covalent organic frameworks (COFs) have emerged as a new generation of designable crystalline porous polymers for a wide array of clean-energy and environmental applications. In this contribution, we categorically review the merits and shortcomings of COF bulk powders, nanosheets, freestanding thin films/membranes, and membranes on porous supports in various separation processes, including separation of gases, pervaporation, organic solvent nanofiltration, water purification, radionuclide sequestration, and chiral separations, with particular reference to COF material pore size, host-guest interactions, stability, selectivity, and permeability. This review covers the fabrication strategies of nanosheets, films, and membranes, as well as performance parameters, and provides an overview of the separation landscape with COFs in relation to other porous polymers, while seeking to interpret the future research opportunities in this field.

在可持续发展的背景下,材料研究正在经历一场绿色革命,节能环保的材料和方法备受关注。在寻找更环保的替代品的过程中,共价有机框架(COFs)已经成为新一代可设计的晶体多孔聚合物,用于广泛的清洁能源和环境应用。在这篇文章中,我们对COF粉体、纳米片、独立薄膜/膜和多孔支撑膜在各种分离过程中的优缺点进行了综述,包括气体分离、渗透蒸发、有机溶剂纳滤、水净化、放射性核素隔离和手性分离,并特别提到了COF材料的孔径、主-guest相互作用、稳定性、选择性和渗透性。本文综述了纳米片、薄膜和膜的制备策略以及性能参数,并概述了COFs与其他多孔聚合物的分离前景,同时试图解释该领域未来的研究机会。
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引用次数: 29
Possibilities and Limits of Computational Fluid Dynamics-Discrete Element Method Simulations in Process Engineering: A Review of Recent Advancements and Future Trends. 计算流体动力学的可能性和局限性——过程工程中的离散元方法模拟:最新进展和未来趋势的回顾。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-13 DOI: 10.1146/annurev-chembioeng-110519-075414
Paul Kieckhefen, Swantje Pietsch, Maksym Dosta, Stefan Heinrich

Fluid-solid systems play a major role in a wide variety of industries, from pharmaceutical and consumer goods to chemical plants and energy generation. Along with this variety of fields comes a diversity in apparatuses and applications, most prominently fluidized and spouted beds, granulators and mixers, pneumatic conveying, drying, agglomeration, coating, and combustion. The most promising approach for modeling the flow in these systems is the CFD-DEM method, coupling computational fluid dynamics (CFD) for the fluid phase and the discrete element method (DEM) for the particles. This article reviews the progress in modeling particle-fluid flows with the CFD-DEM method. A brief overview of the basic method as well as methodical extensions of it are given. Recent applications of this simulation approach to separation and classification units, fluidized beds for both particle formation and energy conversion, comminution units, filtration, and bioreactors are reviewed. Future trends are identified and discussed regarding their viability.

流固系统在各种各样的行业中发挥着重要作用,从制药和消费品到化工厂和能源生产。随着这些领域的多样化,设备和应用的多样性也随之而来,最突出的是流化和喷淋床,造粒机和混合器,气动输送,干燥,团聚,涂层和燃烧。对这些系统的流动建模最有前途的方法是CFD-DEM方法,将流体相的计算流体动力学(CFD)和颗粒的离散单元法(DEM)相结合。本文综述了用CFD-DEM方法模拟颗粒流体流动的研究进展。简要概述了基本方法,并对其进行了系统的扩展。本文综述了该模拟方法在分离和分类装置、颗粒形成和能量转换流化床、粉碎装置、过滤和生物反应器等方面的最新应用。确定并讨论其可行性方面的未来趋势。
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引用次数: 44
Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains. 化学过程、产品和供应链设计的生命周期评估。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-27 DOI: 10.1146/annurev-chembioeng-011520-075844
Johanna Kleinekorte, Lorenz Fleitmann, Marvin Bachmann, Arne Kätelhön, Ana Barbosa-Póvoa, Niklas von der Assen, André Bardow

Design in the chemical industry increasingly aims not only at economic but also at environmental targets. Environmental targets are usually best quantified using the standardized, holistic method of life cycle assessment (LCA). The resulting life cycle perspective poses a major challenge to chemical engineering design because the design scope is expanded to include process, product, and supply chain. Here, we first provide a brief tutorial highlighting key elements of LCA. Methods to fill data gaps in LCA are discussed, as capturing the full life cycle is data intensive. On this basis, we review recent methods for integrating LCA into the design of chemical processes, products, and supply chains. Whereas adding LCA as a posteriori tool for decision support can be regarded as established, the integration of LCA into the design process is an active field of research. We present recent advances and derive future challenges for LCA-based design.

化工行业的设计越来越不仅以经济为目标,而且以环境为目标。通常使用标准化的、整体的生命周期评估(LCA)方法对环境目标进行量化是最好的。由此产生的生命周期视角对化学工程设计提出了重大挑战,因为设计范围扩展到包括过程、产品和供应链。在这里,我们首先提供一个简短的教程,重点介绍LCA的关键元素。讨论了在LCA中填充数据缺口的方法,因为捕获整个生命周期是数据密集型的。在此基础上,我们回顾了将LCA整合到化学过程、产品和供应链设计中的最新方法。虽然将LCA作为决策支持的后验工具可以视为已经建立,但将LCA集成到设计过程中是一个活跃的研究领域。我们介绍了基于lca的设计的最新进展和未来的挑战。
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引用次数: 35
Water Structure and Properties at Hydrophilic and Hydrophobic Surfaces. 亲水和疏水表面的水结构和性质。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-13 DOI: 10.1146/annurev-chembioeng-120919-114657
Jacob Monroe, Mikayla Barry, Audra DeStefano, Pinar Aydogan Gokturk, Sally Jiao, Dennis Robinson-Brown, Thomas Webber, Ethan J Crumlin, Songi Han, M Scott Shell

The properties of water on both molecular and macroscopic surfaces critically influence a wide range of physical behaviors, with applications spanning from membrane science to catalysis to protein engineering. Yet, our current understanding of water interfacing molecular and material surfaces is incomplete, in part because measurement of water structure and molecular-scale properties challenges even the most advanced experimental characterization techniques and computational approaches. This review highlights progress in the ongoing development of tools working to answer fundamental questions on the principles that govern the interactions between water and surfaces. One outstanding and critical question is what universal molecular signatures capture the hydrophobicity of different surfaces in an operationally meaningful way, since traditional macroscopic hydrophobicity measures like contact angles fail to capture even basic properties of molecular or extended surfaces with any heterogeneity at the nanometer length scale. Resolving this grand challenge will require close interactions between state-of-the-art experiments, simulations, and theory, spanning research groups and using agreed-upon model systems, to synthesize an integrated knowledge of solvation water structure, dynamics, and thermodynamics.

水在分子和宏观表面上的性质对广泛的物理行为有着重要的影响,其应用范围从膜科学到催化再到蛋白质工程。然而,我们目前对水界面分子和材料表面的理解是不完整的,部分原因是水结构和分子尺度性质的测量即使是最先进的实验表征技术和计算方法也面临挑战。这篇综述强调了正在开发的工具的进展,这些工具致力于回答有关水和表面之间相互作用的基本原则的基本问题。一个突出而关键的问题是,由于传统的宏观疏水性测量方法(如接触角)无法捕捉到纳米尺度上具有任何异质性的分子或扩展表面的基本性质,因此,什么样的普遍分子特征能够以一种有意义的操作方式捕捉到不同表面的疏水性。解决这一重大挑战需要最先进的实验、模拟和理论之间的密切互动,跨越研究小组并使用商定的模型系统,以综合溶剂化水结构、动力学和热力学的综合知识。
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引用次数: 65
Quorum Sensing Communication: Molecularly Connecting Cells, Their Neighbors, and Even Devices. 群体感应通信:分子连接细胞,它们的邻居,甚至设备。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-13 DOI: 10.1146/annurev-chembioeng-101519-124728
Sally Wang, Gregory F Payne, William E Bentley

Quorum sensing (QS) is a molecular signaling modality that mediates molecular-based cell-cell communication. Prevalent in nature, QS networks provide bacteria with a method to gather information from the environment and make decisions based on the intel. With its ability to autonomously facilitate both inter- and intraspecies gene regulation, this process can be rewired to enable autonomously actuated, but molecularly programmed, genetic control. On the one hand, novel QS-based genetic circuits endow cells with smart functions that can be used in many fields of engineering, and on the other, repurposed QS circuitry promotes communication and aids in the development of synthetic microbial consortia. Furthermore, engineered QS systems can probe and intervene in interkingdom signaling between bacteria and their hosts. Lastly, QS is demonstrated to establish conversation with abiotic materials, especially by taking advantage of biological and even electronically induced assembly processes; such QS-incorporated biohybrid devices offer innovative ways to program cell behavior and biological function.

群体感应(Quorum sensing, QS)是一种介导基于分子的细胞间通讯的分子信号传导方式。自然界中普遍存在的QS网络为细菌提供了一种从环境中收集信息并根据信息做出决策的方法。凭借其自主促进物种间和物种内基因调控的能力,这一过程可以重新连接,以实现自主驱动,但分子编程的遗传控制。一方面,新的基于QS的遗传电路赋予细胞智能功能,可用于许多工程领域;另一方面,重新定位的QS电路促进了通信,并有助于合成微生物群体的发展。此外,工程QS系统可以探测和干预细菌和宿主之间的王国间信号。最后,QS被证明可以与非生物材料建立对话,特别是通过利用生物甚至电子诱导的组装过程;这种结合了qs的生物混合装置提供了创新的方法来编程细胞行为和生物功能。
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引用次数: 40
Mechanistic Modeling of Preparative Column Chromatography for Biotherapeutics. 生物治疗制剂制备柱色谱的机理模拟。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 DOI: 10.1146/annurev-chembioeng-102419-125430
Vijesh Kumar, Abraham M Lenhoff

Chromatography has long been, and remains, the workhorse of downstream processing in the production of biopharmaceuticals. As bioprocessing has matured, there has been a growing trend toward seeking a detailed fundamental understanding of the relevant unit operations, which for some operations include the use of mechanistic modeling in a way similar to its use in the conventional chemical process industries. Mechanistic models of chromatography have been developed for almost a century, but although the essential features are generally understood, the specialization of such models to biopharmaceutical processing includes several areas that require further elucidation. This review outlines the overall approaches used in such modeling and emphasizes current needs, specifically in the context of typical uses of such models; these include selection and improvement of isotherm models and methods to estimate isotherm and transport parameters independently. Further insights are likely to be aided by molecular-level modeling, as well as by the copious amounts of empirical data available for existing processes.

色谱法长期以来一直是,并且仍然是生物制药生产下游加工的主力。随着生物处理的成熟,越来越多的趋势是寻求对相关单元操作的详细基本理解,其中一些操作包括使用类似于传统化学过程工业的机械建模方法。层析的机制模型已经发展了将近一个世纪,但是尽管基本特征已经被普遍理解,这种模型对生物制药加工的专业化包括几个需要进一步阐明的领域。本综述概述了在这种建模中使用的总体方法,并强调当前的需要,特别是在这种模型的典型使用的背景下;这包括选择和改进等温线模型以及独立估计等温线和输运参数的方法。进一步的见解可能会得到分子水平建模的帮助,以及现有过程中可用的大量经验数据。
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引用次数: 25
A ChemE Grows in Brooklyn. 一种化学物质在布鲁克林生长。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-09 DOI: 10.1146/annurev-chembioeng-101519-120354
Carol K Hall

I profile my personal and professional journey from being a girl of the 1950s, with expectations typical for the times, to a chemical engineering professor and still-enthusiastic researcher. I describe my family, my early education, my college and graduate school training in physics, my postdoc years in chemistry, and my subsequent transformation into a chemical engineering faculty member-one of the first women to be appointed to a chemical engineering faculty in the United States. I focus on the events that shaped me, the people who noticed and supported me, and the environment for women scientists and engineers in what some would call the "early days." My initial research activities centered on applications of statistical mechanics to predict phase equilibria in simple systems. Over time, my interests evolved to focus on applying molecule-level computer simulations to systems of interest to chemical engineers, e.g., hydrocarbons and polymers. Eventually, spurred on by my personal interest in amyloid diseases and my wish to make a contribution to human health, I turned to more biologically oriented problems having to do with protein aggregation and protein design. I give a candid assessment of my strengths and weaknesses, successes and failures. Finally, I share the most valuable lessons that I have learned over a lifetime of professional and personal experience.

我描述了我的个人和职业生涯,从一个20世纪50年代的女孩,带着典型的时代期望,到一名化学工程教授和仍然充满热情的研究人员。我描述了我的家庭、我的早期教育、我在大学和研究生院接受的物理训练、我在化学领域的博士后研究,以及我后来成为一名化学工程教员——美国首批被任命为化学工程教员的女性之一。我关注的是那些塑造了我的事件,关注和支持我的人,以及女性科学家和工程师在一些人所谓的“早期”所处的环境。我最初的研究活动集中在应用统计力学来预测简单系统中的相平衡。随着时间的推移,我的兴趣逐渐集中于将分子级计算机模拟应用于化学工程师感兴趣的系统,例如碳氢化合物和聚合物。最终,在我个人对淀粉样蛋白疾病的兴趣和对人类健康做出贡献的愿望的刺激下,我转向了与蛋白质聚集和蛋白质设计有关的更多生物学导向的问题。我对自己的优点和缺点、成功和失败都给出了坦率的评价。最后,我将分享我在职业生涯和个人经历中学到的最有价值的经验。
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引用次数: 0
N-Glycosylation of IgG and IgG-Like Recombinant Therapeutic Proteins: Why Is It Important and How Can We Control It? IgG和IgG样重组治疗蛋白的n -糖基化:为什么重要?我们如何控制它?
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-16 DOI: 10.1146/annurev-chembioeng-102419-010001
Natalia I Majewska, Max L Tejada, Michael J Betenbaugh, Nitin Agarwal

Regulatory bodies worldwide consider N-glycosylation to be a critical quality attribute for immunoglobulin G (IgG) and IgG-like therapeutics. This consideration is due to the importance of posttranslational modifications in determining the efficacy, safety, and pharmacokinetic properties of biologics. Given its critical role in protein therapeutic production, we review N-glycosylation beginning with an overview of the myriad interactions of N-glycans with other biological factors. We examine the mechanism and drivers for N-glycosylation during biotherapeutic production and the several competing factors that impact glycan formation, including the abundance of precursor nucleotide sugars, transporters, glycosidases, glycosyltransferases, and process conditions. We explore the role of these factors with a focus on the analytical approaches used to characterize glycosylation and associated processes, followed by the current state of advanced glycosylation modeling techniques. This combination of disciplines allows for a deeper understanding of N-glycosylation and will lead to more rational glycan control.

世界各地的监管机构认为n -糖基化是免疫球蛋白G (IgG)和IgG样治疗药物的关键质量属性。这种考虑是由于翻译后修饰在确定生物制剂的有效性、安全性和药代动力学特性方面的重要性。鉴于其在蛋白质治疗生产中的关键作用,我们从n -糖基化与其他生物因子的无数相互作用的概述开始回顾n -糖基化。我们研究了生物治疗生产过程中n -糖基化的机制和驱动因素,以及影响聚糖形成的几个竞争因素,包括前体核苷酸糖的丰度、转运体、糖苷酶、糖基转移酶和工艺条件。我们探讨了这些因素的作用,重点是用于表征糖基化和相关过程的分析方法,其次是先进的糖基化建模技术的现状。这些学科的结合使我们能够更深入地了解n -糖基化,并将导致更合理的聚糖控制。
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引用次数: 35
Multiscale Lithium-Battery Modeling from Materials to Cells. 从材料到电池的多尺度锂电池建模。
IF 8.4 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2020-06-07 Epub Date: 2020-03-25 DOI: 10.1146/annurev-chembioeng-012120-083016
Guanchen Li, Charles W Monroe

New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials' mechanical and electrochemical states.

新的实验技术和理论方法推动了电池从分子到宏观的跨越长度尺度的研究。纳米级现象的直接观察和原子模拟增强了对电池材料中发生的基本电化学过程的理解。这一庞大且不断增长的微观数据池带来了分离关键性能决定物理参数的挑战,这一努力通常需要考虑在非常不同的长度尺度和时间尺度上复杂的相互作用。有效的基于物理的电池建模强调跨尺度的视角,目的是展示纳米尺度的物理化学现象如何影响设备性能。本文综述了研究人员用来弥合纳米尺度和宏观尺度之间差距的方法。我们强调了对电池性能指标有直接和相当大影响的特性或现象的建模,例如开路电压和充放电过电位。特别强调了热力学严格的多物理场模型,包括材料的力学和电化学状态之间的耦合。
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引用次数: 26
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Annual review of chemical and biomolecular engineering
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