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第401回化学システム工学専攻公開セミナー Novel reactivity modes leveraging p-block elements and transition metals towards the synthesis of molecules of interest

日時
2023年12月5日(火)11:00-12:30
場所
工学部3号館6階6C06
講演題目Novel reactivity modes leveraging p-block elements and transition metals towards the synthesis of molecules of interest
講演者Dr. Daniel Pla
IHFA, UMR CNRS
概要p-Block elements alone or assisted by transition metal catalysts have the ability to lower the activation energy towards enabling novel chemical reactions that would not be achievable otherwise. This is best exemplified by cutting-edge innovations in transition metal (nano)catalysis exploiting metal-metal interactions rely on precluding agglomeration pathways leading to catalyst passivation via bulk metal formation. [1] This talk will be divided into two main axes in order to overview both molecular strategies as well as surface-catalyzed transformations using tailored nanoparticle systems with high specific surface areas. With a special emphasis on catalyst design, this presentation will provide an overview on C–C and C–heteroatom couplings and multicomponent metal‐catalyzed reactions with a special emphasis on the selective transformation of C–H bonds via novel strategies comprising both molecular complexes and metal-based nanoparticles with enhanced surface reactivity, thus harnessing sustainable processes. An account of our work focusing on bottom-up strategies for the synthesis of both mono- (Pd, Pt, Ru, Cu, Ni, Co) and bi- metallic nanoparticles (Ni/Co, Pd/Cu) metal-based nanoparticles immobilized both in liquid media (glycerol, biosourced ionic liquids) [2] as well as on inorganic supports (hydrochars, halloysite, hydroxyapatite, TiO 2 , MgAl 2 O 4 ) [3] will be presented with a special emphasis on the metal precursors and the nature of stabilizers (such as amines, ammonium salts, phosphines and biomass-based alkaloids). A combination of techniques has been used for the full characterization of the as-prepared catalytic materials (PXRD, X-ray fluorescence, XPS, XAS, (HR)TEM, FTIR, ssNMR, EPR, magnetization…), as well as to assess their catalytic behavior towards a number of chemical transformations. Efficient catalytic applications by means of C–C homocoupling [4] and (de)hydrogenation reactions together with mechanistic insights will be presented. [5] Moreover, straightforward and atom economical catalytic methods to effect multicomponent reactions via molecular processes streamlining the synthesis of nitrogen-containing heterocycles such as oxazolidinones, and imidazo[1,5- a]pyridines [6] will also be presented using Cu catalysis. Nevertheless, the development of chemical processes to embed main group elements encompasses huge potential towards the development of functional compounds and materials such as molecular switches, frustrated Lewis pairs [7] and trifluoroborate-based probes that can be used as prosthetic groups for [ 18 F]fluorination via F-18 for F-19 isotopic exchange (IEX) in water. [8] Finally, a sequential process combining both multi-component reactions towards the upgrading of green-house gases into amines via a dual catalytic strategy will be presented, namely i) the tri-reforming of methane (TRM) [9] catalyzed by supported Ni-based nanocatalysts for the production of syngas and ii) the hydroaminomethylation (HAM) for the synthesis of homologated terpenic amines from syngas and terpenes, catalyzed by Rh-Co molecular complexes (Figure 1), with an special emphasis on catalyst loading, choice of metal pre-catalysts and ligands/stabilizers, optimization of operating conditions in the quest for efficient catalysts. This original bimetallic catalytic system based on Rh(I) and Co(0) in glycerol afforded the synthesis of terpenic amines taking advantage of cooperative effects. [10] These results represent attractive means to expand the exploration of chemical space through novel synthetic tools to override the dependence on fossil resources.
*If you would like to see a figure and references, please click on the following link
Summary
世話人高鍋 和広(内線21195)

第400回化学システム工学専攻公開セミナー マルチスケール数理モデルによる生体の理解と制御

日時
2023年10月10日(火)16:00-17:30
場所
工学部5号館53講義室 / Zoom(https://u-tokyo-ac-jp.zoom.us/j/82596354812?pwd=17R0N1mzenOzd1ivRaoNZo5jK8sWo4.1, Meeting ID: 825 9635 4812, Passcode: 505756)
講演題目マルチスケール数理モデルによる生体の理解と制御
講演者西川昌輝
(東京大学大学院工学系研究科化学システム工学専攻 講師)
概要生体は、秒単位で起こる分子レベルの酵素反応から、年単位で観測される臓器レベルの相互作用によるホメオスタシスの維持まで、時空間的に多階層、非線形な存在である。老化、ガン、生活習慣病などの現象解明と治療法の開発には、この多階層、非線形なシステムの理解と、それに基づく制御と予測が必要である。本講演では、肝臓を多階層、非線形な臓器として数理・培養モデル化し、創薬や医療応用を目指す研究について紹介する。特に、時空間的に広がる各階層をつなぐ概念として、化学工学的な物質・熱・エネルギー収支に立ち返り、生体のエネルギー代謝を理解することの重要性を述べる。さらに、多細胞系としての肝疾患モデル構築の試みを紹介し、マルチスケール数理モデルによる生体の理解と制御の利点と展望を議論する。
世話人中山哲(内線27270)

第399回化学システム工学専攻公開セミナー External Bioartificial Liver: Translational Perspectives

日時
2023年11月6日(月)15:00-17:00
場所
工学部5号館51講義室
講演題目External Bioartificial Liver: Translational Perspectives
講演者Prof. Cécile Legallais, CNRS Research Director
Université de Technologie de Compiègne, UMR CNRS 7338 Biomechanics &
Bioengineering
概要Liver supply systems are still needed in clinical situation due to the increasing organ shortage. However, none of the bioartificial livers developed in the past have been commercialized yet. After analyzing the past, we will present the new approaches. Among them, the culture of cells as spheroids/organoids in alginate beads appears as an interesting option. We evaluated some of the major functions of hepatic cells in such environment and propose a complete set up at human scale for liver supply. We will discuss here the advantages of microencapsulation and the questions regarding the type of cells to be used in such system.
世話人酒井康行(内線27751)

第398回化学システム工学専攻公開セミナー Process Systems Engineering in an Area of Big Data and AI: Challenges and Opportunities

日時
2023年10月12日(木)14:15~15:45
場所
工学部2号館211講義室
講演題目Process Systems Engineering in an Area of Big Data and AI: Challenges and Opportunities
講演者Prof. Marianthi Ierapetrigou
Department of Chemical & Biomolecular Engineering
Bob and Jane Gore Centennial Chair of Chemical & Biomolecular Engineering
University of Delaware
概要The data revolution demands the Process Systems Engineering (PSE) community to adapt the methodologies to fully leverage the additional resources for accurate representation of processes and detailed analyses. The approaches can facilitate process development, system analysis, and optimization, supporting goals in areas like sustainability, circular economy, and public health. Process modeling remains a critical PSE tool to describe complex physical processes based on system understanding. With data revolution, there are challenges in incorporating information of different scales, and in the extent of data involvement. To acquire comprehensive process understanding, efficient PSE tools such as sensitivity analysis, feasibility analysis, life cycle assessment (LCA), and technoeconomic analysis (TEA) can be applied for analysis with data from experiments, pilot plants, databases, and/or models. Using the developed models, optimization can be performed to identify optimal conditions of the most important variables identified using sensitivity analysis, while satisfying important operability and product quality constraints. Such in silico optimization results can provide insights to the experimental work, but as model complexity increases, the optimization task becomes computationally demanding. In the implementation of all these tools, data uncertainty is a critical issue and uncertainty quantification (UQ) approaches can be applied to address this issue. In this talk, we will discuss our group’s work towards developing these tools and highlight their application in pharmaceutical advanced manufacturing and towards sustainable chemical production.
世話人杉山 弘和(内線27227)

第397回化学システム工学専攻公開セミナー Energy, environmental, and food security implications of a net-zero CO2 emissions chemical industry

日時
2023年11月27日(月) 17:00-18:00
場所
Zoom ( https://u-tokyo-ac-jp.zoom.us/j/88272842701?pwd=UkJlYmd4cHY5M1M5UGNMSXJjOVNIdz09 , Meeting ID: 882 7284 2701 , Passcode: 526405)
講演題目Energy, environmental, and food security implications of a net-zero CO2 emissions chemical industry
講演者Dr. Paolo Gabrielli
Senior Scientist
Institute of Energy and Process Engineering
ETH Zurich
概要To limit global warming below 1.5°C, all anthropogenic activities will have to reach net-zero CO2 emissions by mid-century. The chemical industry is responsible for about 5% of global CO2 emissions and is key to achieving net-zero targets. Decarbonizing this industry, nevertheless, faces a special challenge in that a large fraction of chemical products contain carbon. Yet, multiple technology routes are now available for producing chemicals with net-zero CO2 emissions based on biomass, recycling, and carbon capture, utilization, and storage. However, the extent to which these routes are viable with respect to the local availability of energy and natural resources remains unclear. In this seminar, I compare net-zero routes by quantifying their energy, land, and water requirements and the corresponding induced resource scarcity at the country-level, and further discuss the technical and environmental viability of a net-zero chemical industry. Furthermore, I dive into ammonia and fertilizers production to investigate the energy and food security implications of net-zero nitrogen fertilizers. Finally, I present the optimal design of net-zero hydrogen supply chains, which will be needed to supply hydrogen to chemical plants, and possibly other plants, in a world of net-zero emissions.
世話人Sara Badr(内線26876)

第396回化学システム工学専攻公開セミナー Microwave Catalyst Design for Heterogeneous Reactions at National Energy Technology Laboratory

日時
2023年10月5日(木)15:00-16:30
場所
工学部3号館31号室
講演題目Microwave Catalyst Design for Heterogeneous Reactions at National Energy Technology Laboratory
講演者Dr. Christina Wildfire
Research Engineer
Energy Conversion Engineering Directorate
National Energy Technology Laboratory (US)
概要National Energy Technology Laboratory (NETL) is exploring microwave-assisted technologies for a wide range of chemical conversion processes such as ammonia reactions, methane dehydroaromatization (DHA), CO2 conversion, and mixed waste conversion using heterogeneous catalysis. With the direct interaction of the electromagnetic field with the solid material, catalysis design has to be re-examined. However, the lack of a fundamental understanding of the underlying mechanistic and kinetic phenomena leading to the enhanced performance characteristics hinders the advancement of this technology and makes scaling from the laboratory-scale to commercialization difficult. R&D at NETL is devoted to understanding the fundamental microwave-material interactions, reaction chemistry, and kinetics, which will allow greater control over reaction mechanisms and lead to enhanced performance of microwave-assisted catalytic reactions. The lab is developing a one-of-a kind characterization facility to study these surface effects in-situ so that modeling of the materials can be improved and used in material and microwave cavity designs. In this talk, the application of microwaves to different reactions will be addressed to demonstrate the potential benefits. The research challenges for the MW-assisted reaction would also be addressed.
世話人岸本史直(内線26157)

第395回化学システム工学専攻公開セミナー Solid State Batteries – from interfaces to high energy density

日時
2023年9月25日(月)15:00-16:00
場所
工学部5号館51講義室
講演題目Solid State Batteries – from interfaces to high energy density
講演者Prof. Jihui Yang
Materials Science and Engineering Department
University of Washington
概要The use of solid electrolytes in Lithium-ion batteries has several promises, most noticeably improved safety, quicker charging times, and longer ranges for electric vehicle applications. This talk will consider some of the options and challenges. I will show that high energy and long cycle life could be achieved in solid state batteries via optimizing the interfacial thermodynamics. This is also the case for liquid-based Lithium-ion batteries with the separator coated by solid electrolytes.
世話人山田淳夫(内線27295)

第394回化学システム工学専攻公開セミナー Micropore Engineering in Molecular Sieves from Synthesis to Practical Applications

日時
2023年8月22日(火)14:45-15:45
場所
工学部3号館6B04号室
講演題目Micropore Engineering in Molecular Sieves from Synthesis to Practical Applications
講演者Prof. Jong Hun Kang
Assistant Professor
School of Chemical and Biological Engineering
Seoul National University
概要Molecular sieves, including zeolites, have assumed a pivotal position within contemporary chemical engineering due to their indispensable utility as a prominent category of heterogeneous catalysts. Possessing crystallographically well-defined micropore structures at the molecular scale, these materials are capable of directing the reaction pathways of surface-mediated reactions. This presentation about molecular sieves will be divided into two parts: synthesis and reaction. The first part will discuss synthetic approaches to preparing several novel frameworks, achieved through a combination of traditional hydrothermal synthesis and postsynthetic topotactic transformations. Various newly developed molecular sieves, including germanosilicates, aluminophosphates, and chiral STW, will be presented. The second part of the presentation will discuss the relationship between the structural properties of zeolites and their catalytic properties. The focus will be on the shape selectivity in the methanol-to-olefin (MTO) reaction and the role of zeolite acid site properties in the shale-gas dehydroaromatization reaction.
世話人伊與木健太(内線27368)

第393回化学システム工学専攻公開セミナー Population and physiologically-based pharmacokinetic modelling for therapeutic dose finding in drug development

日時
2023年7月4日(火)14:00-15:00
場所
工学部5号館51号室
講演題目Population and physiologically-based pharmacokinetic modelling for therapeutic dose finding in drug development
講演者Yumi Cleary
Clinical Pharmacometrics, Roche Pharma Research and Early Development, Roche
Innovation Center Basel, Basel, Switzerland;
Centre for Applied Pharmacokinetic Research, University of Manchester,
Manchester, UK
概要Therapeutic dose finding is a critical element of drug development. Understanding the pharmacokinetics (PK) of a new chemical entity (NCE) is one of the prerequisites for dose finding. Therefore, PK modelling, typically population PK and physiologically-based PK (PPK and PBPK) modelling, are routinely conducted during the clinical development of a NCE. In this talk, I will introduce the basic drug development process and concept of PPK and PBPK modelling. As a case example, I will explain how PPK and PBPK modelling, respectively, was conducted to support the clinical development of risdiplam, which has been approved for the treatment of spinal muscular atrophy. I will discuss the challenges in the modelling to find the dosing regimen to achieve the target exposure consistently across the heterogeneous patient population, including 2-months-old infants to 61-year-old patients, and the utility of such modelling to provide guidance for drug labels in lieu of clinical studies.
世話人杉山 弘和(内線27227)

第392回化学システム工学専攻公開セミナー Real time monitoring and control of downstream processing of biopharmaceuticals

日時
2023年7月12日(水)10:00-11:00
場所
工学部3号館6C07号室
講演題目Real time monitoring and control of downstream processing of biopharmaceuticals
講演者Prof. Alois Jungbauer
Department of Biotechnology
University of Natural Resources and Life Sciences Vienna
(BOKU), Austria
Austrian Centre of Industrial Biotechnology
概要The biopharmaceutical industry is still running in batch mode, mostly because it is a highly regulated industry sector. In the past, sensors were not readily available and in-process control was mainly executed off-line. The most important product parameters are quantity, purity and potency besides adventitious agents and bioburden. In order to ensure the quality of pharmaceuticals initiatives such as Process Analytical Technologies, Quality by Design and Continuous Integrated Manufacturing have been established. The vision must be that these initiatives together with technology development pave the way for process automation and autonomous bioprocessing without any human intervention. Then a real-time release would be realized leading to a highly predictive and robust biomanufacturing system. The steps toward such automated and autonomous bioprocessing will be presented in context of monitoring and control. Starting from statistical treatment of single and multiple sensors, establishing soft sensors with predictive chemometrics and hybrid models. A scenario is described how to integrate soft sensors and predictive chemometrics into modern process control. This will be exemplified by selective downstream processing steps such as chromatography and membrane filtration, the most common unit operations for separation of biopharmaceuticals.
世話人Sara Badr(内線26876)