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van Cranenburgh, Tom (author)With renewed interest in the development of civil supersonic aircraft, their return in the future is becoming more ever more likely. The environmental impact of emissions in the stratosphere on climate and the ozone layer therefore needs to be explored. The stratospheric ozone levels determine the amount of harmful ultraviolet radiation reaching...master thesis 2024
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Pletzer, Johannes (author)At speeds roughly between five and ten thousand km/h, hypersonic aircraft offer the promise of an extremely fast means of transport. Growing concerns about climate warming, however, direct attention to sustainability. This thesis focuses on atmospheric composition and radiation changes by considering a range of individual hypersonic aircraft...doctoral thesis 2024
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Spitzbarth, B. (author)Nature has inspired countless researchers in their quest to understand the phenomena we observe and utilise their findings to develop new technologies. This becomes especially apparent in systems chemistry, which heavily draws inspiration from natural systems in its pursuit for the understanding and development of chemical reaction networks ...doctoral thesis 2024
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Slijkhuis, Nuria (author), Razzi, F. (author), Korteland, Suze Anne (author), Heijs, Bram (author), van Gaalen, Kim (author), Duncker, Dirk J. (author), van der Steen, A.F.W. (author), van Steijn, V. (author), van Beusekom, Heleen M.M. (author), van Soest, G. (author)Coronary atherosclerosis is caused by plaque build-up, with lipids playing a pivotal role in its progression. However, lipid composition and distribution within coronary atherosclerosis remain unknown. This study aims to characterize lipids and investigate differences in lipid composition across disease stages to aid in the understanding of...journal article 2024
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Kalikadien, A.V. (author), Mirza, Adrian (author), Hossaini, Aydin Najl (author), Sreenithya, Avadakkam (author), Pidko, E.A. (author)In the past decade, computational tools have become integral to catalyst design. They continue to offer significant support to experimental organic synthesis and catalysis researchers aiming for optimal reaction outcomes. More recently, data-driven approaches utilizing machine learning have garnered considerable attention for their expansive...journal article 2024
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- Smith, S.J. (author), Lauria, Mélanie (author), Higgins, Christopher P. (author), Pennell, Kurt D. (author), Blotevogel, Jens (author), Arp, Hans Peter H. (author) journal article 2024
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Adwani, Dheeraj (author), Pipintakos, Georgios (author), Mirwald, Johannes (author), Wang, Yudi (author), Hajj, Ramez (author), Guo, Meng (author), Liang, Meichen (author), Jing, R. (author), Varveri, Aikaterini (author)Oxidative aging induces significant stiffening of asphalt binders that leads to a pronounced reduction in the overall durability of asphalt pavements. The strategic implementation of antioxidant additives provides a potential solution to alleviate this issue. This work presents results from the second phase of the global consortium for...journal article 2024
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Abdelrady, Ahmed (author), Tang, Yuchen (author), Bogaard, T.A. (author), Foppen, J.W.A. (author)Sand filtration systems (SF) are a well-established approach in ensuring the availability of clean water. Understanding the transport properties of colloidal particles within SF systems is of paramount importance for optimizing their performance. This study investigated the potential utilization of silica-encapsulated DNA particles, equipped...journal article 2024
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van Dam, J.P.B. (author), Tiringer, U. (author), Abrahami, S.T. (author), Milošev, I. (author), Terryn, H.A. (author), Kovač, J. (author), Mol, J.M.C. (author)The sol–gel process is a chemical surface preparation method based on hydrolysis and polycondensation reactions for enhanced adhesion for metallic substrates in adhesive bonding and coating applications. This paper describes an investigation into the effect of the microstructural complexity of two commonly used aerospace aluminium alloys (AAs...journal article 2024
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Kaven, Luise F. (author), Schweidtmann, A.M. (author), Keil, Jan (author), Israel, Jana (author), Wolter, Nadja (author), Mitsos, Alexander (author)Microgels are cross-linked, colloidal polymer networks with great potential for stimuli-response release in drug-delivery applications, as their small size allows them to pass human cell boundaries. For applications with specified requirements regarding size, producing tailored microgels in a continuous flow reactor is advantageous because...journal article 2024
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Assaf Martinez-Streignard, E.I. (author), Liu, X. (author), Lin, P. (author), Erkens, S. (author)The advent of computational techniques, particularly atomistic simulations, has lessened the dependency on physical experiments in various scientific fields. Yet, the preparation complexity for simulations using platforms like LAMMPS and GROMACS persists. We introduce SMI2PDB, a Python tool that automates molecular systems assembly from SMILES...journal article 2024
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Buravets, Vladislav (author), Gorin, Oleg (author), Burtsev, Vasilii (author), Zabelina, Anna (author), Zabelin, Denis (author), Kosina, Jiri (author), Maixner, Jaroslav (author), Svorcik, Vaclav (author), Kolganov, A.A. (author), Pidko, E.A. (author), Lyutakov, Oleksiy (author)Organic electrochemistry is currently experiencing an era of renaissance, which is closely related to the possibility of carrying out organic transformations under mild conditions, with high selectivity, high yields, and without the use of toxic solvents. Combination of organic electrochemistry with alternative approaches, such as photo...journal article 2024
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Assaf Martinez-Streignard, E.I. (author), Liu, X. (author), Lin, Peng (author), Erkens, S. (author)Pdb2dat, developed in Python, is an open-source, self-contained utility that facilitates the conversion of PDB files into LAMMPS data files, catering to the need of initializing atomistic simulation from initial atomic configurations. It extracts molecular details from PDB files, uses Rdkit and Xyz2mol for bonding analysis and 3D conformer...journal article 2024
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- Mulder, J.T. (author) doctoral thesis 2023
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Hosseini, A. (author), Hage, Johannes (author), Meijer, Koen (author), Offerman, S.E. (author), Yang, Y. (author)In this paper a CFD analysis of HIsarna off-gas system for post combustion of CO-H2-carbon particle mixture is presented to evaluate the effect of different sub-models and parameters on the accuracy of predictions and simulation time. The effects of different mesh type, mesh grid size, radiation models, turbulent models, kinetic mechanism,...journal article 2023
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França, Alexandre S. (author), Brêda, Gabriela C. (author), De Oliveira, Kleber T. (author), Almeida, Rodrigo V. (author), Hollmann, F. (author), de Souza, Rodrigo O.M.A. (author)A visible-light-driven photocatalytic decarboxylation of palmitic acid and related fatty acids is described in this study. Remarkable decarboxylation rates have been observed with full conversion in less than 20 min. In this study, we have<br/>demonstrated that sunlight irradiation, even on cloudy days, can deliver similar results to traditional...journal article 2023
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Li, G. (author), Lewis, R.W. (author), Eelkema, R. (author)The field of supramolecular chemistry is rapidly progressing, transitioning from the creation of thermodynamically stable systems found in local or global minima on the free energy landscape to the development of out-of-equilibrium systems that rely on chemical reactions to establish and maintain their structures. Over the past decade,...review 2023
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Wu, Y. (author), Paul, C.E. (author), Hollmann, F. (author)This review article critically compares two widely used types of catalysis, chemo- and biocatalysis, and provides insights on their greenness according to specified parameters. A comparative analysis of the environmental impact of chemo- and biocatalytic oxyfunctionalisation reactions based on published experimental data reveals that both...journal article 2023
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Jiang, Bojing (author), Tan, Sin Yen (author), Fang, Shiyu (author), Feng, Xiaohan (author), Park, B.P. (author), Fok, Hong Kiu Francis (author), Yang, Zhongguang (author), Wang, Ri (author), Kou, Songzi (author), Wu, Angela Ruohao (author), Sun, Fei (author)Spider silk is recognized for its exceptional mechanical properties and biocompatibility, making it a versatile platform for developing functional materials. In this study, a modular functionalization strategy for recombinant spider silk is presented using SpyTag/SpyCatcher chemistry, a prototype of genetically encoded click chemistry. The...journal article 2023
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Adwani, Dheeraj (author), Sreeram, Anand (author), Pipintakos, Georgios (author), Mirwald, Johannes (author), Wang, Yudi (author), Hajj, Ramez (author), Jing, R. (author), Bhasin, Amit (author)The design and use of antioxidant additives to reduce or slow down the aging of asphalt binders can bring about tremendous benefits to the asphalt industry. Despite many isolated and scattered research efforts showing mixed results, the application of this science to engineering-based solutions has been limited due to variability in results and...journal article 2023