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Al-Kutubi, H. (author), Rassaei, L. (author), Olthuis, W. (author), Nelson, G.W. (author), Foord, J.S. (author), Holdway, P. (author), Carta, M. (author), Malpass-Evans, R. (author), McKeown, N.B. (author), Tsang, S.C. (author), Castaing, R. (author), Forder, T.R. (author), Jones, M.D. (author), He, D. (author), Marken, F. (author)The highly rigid molecular structure of Polymers of Intrinsic Microporosity (PIM) – associated with a high thermolysis threshold – combined with the possibility to fill intrinsic micropores allows the direct “one-step” templated conversion of metal nitrates into nano-structured metal oxides. This is demonstrated here with PIM-EA-TB and with PIM...journal article 2015
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García-Pérez, E. (author), Serra-Crespo, P. (author), Hamad, S. (author), Kapteijn, F. (author), Gascon, J. (author)Simulation of gas adsorption in flexible porous materials is still limited by the slow progress in the development of flexible force fields. Moreover, the high computational cost of such flexible force fields may be a drawback even when they are fully developed. In this work, molecular simulations of gas adsorption and diffusion of carbon...journal article 2014
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Holtmann, D. (author), Fraaije, M.W. (author), Arends, I.W.C.E. (author), Oppermand, D.J. (author), Hollmann, F. (author)The scope and limitations of oxygenases as catalysts for preparative organic synthesis is discussed.journal article 2014
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Fang, C.M. (author), Van Huis, M.A. (author), Xu, Q. (author), Cava, R.J. (author), Zandbergen, H.W. (author)Nb12O29 is a 4d transition metal oxide that occurs in two forms with different symmetries, monoclinic (m) and orthorhombic (o). The monoclinic form has unusual magnetic properties; below a temperature of 12 K, it exhibits both metallic conductivity and antiferromagnetic ordering. Here, first-principles density-functional theory calculations are...journal article 2014
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Valero-Romero, M.J. (author), Sartipi, S. (author), Sun, X. (author), Rodríguez-Mirasol, J. (author), Cordero, T. (author), Kapteijn, F. (author), Gascon, J. (author)Mesoporous H-ZSM-5–carbon composites, prepared via tetrapropylammonium hydroxide (TPAOH) post treatment of H-ZSM-5 followed by deposition of pyrolytic carbon, have been used as the support for the preparation of Co-based Fischer–Tropsch catalysts. The resulting catalysts display an improved performance during Fischer–Tropsch synthesis (FTS),...journal article 2016
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Dobrowolska, M.E. (author), Koper, G.J.M. (author)Surfactant-free emulsion polymerization involving a nonionic, and hence uncharged initiator presents a new approach towards environmentally friendly procedures to synthesize latex particles. Under optimal solvent conditions, notably pH and ionic strength, the latex particles are stabilized by the natural development of ionic charge at the...journal article 2013
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Alfeld, M. (author), De Nolf, W. (author), Cagno, S. (author), Appel, K. (author), Siddons, D.P. (author), Kuczewski, A. (author), Janssens, K. (author), Dik, J. (author), Trentelman, K. (author), Walton, M. (author), Sartorius, A. (author)Over the past several decades the oeuvre of Rembrandt has been the subject of extensive art historical and scientific investigations. One of the most striking features to emerge is his frequent re-use of canvases and panels. The painting An Old Man in Military Costume (78.PB.246), in the collection of the J. Paul Getty Museum, is an example of...journal article 2012
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Deckers, S. (author), Vandendriessche, S. (author), Cornelis, D. (author), Monnaie, F. (author), Koeckelberghs, G. (author), Asselberghs, I. (author), Verbiest, T. (author), Van der Veen, M.A. (author)Regioregular poly(3-hexylthiophene)s with chain lengths varying from 5 to 100 monomers are synthesized. Poly(3-hexylthiophene)s show in solution an unexpectedly significant second-order nonlinear optical response. The increase in transition dipole moment upon oligomerisation causes the significant second-order nonlinear optical response.journal article 2014
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Nasalevich, M.A. (author), Goesten, M.G. (author), Savenije, T.J. (author), Kapteijn, F. (author), Gascon, J. (author)NH2-MIL-125(Ti) has been post-synthetically functionalized with dye-like molecular fragments. The new material (methyl red-MIL- 125(Ti)) exhibits improved light absorption over a wide range of the visible spectrum, and shows enhanced photocatalytic oxidation activity under visible light illumination. The consequences of functionalization and the...journal article 2013
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Schrittwieser, J. (author), Coccia, F. (author), Kara, S. (author), Grischek, B. (author), Kroutil, W. (author), d'Alessandro, N. (author), Hollmann, F. (author)One-pot combinations of sequential catalytic reactions can offer practical and ecological advantages over classical multi-step synthesis schemes. In this context, the integration of enzymatic and chemo-catalytic transformations holds particular potential for efficient and selective reaction sequences that would not be 10 possible using either...journal article 2013
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Galán, E. (author), Perrin, M.L. (author), Lutz, M. (author), Van der Zant, H.S.J. (author), Grozema, F.C. (author), Eelkema, R. (author)We have described the synthesis of novel biphenylethane-based wires for molecular electronics. Exceptional single-molecule diode behavior was predicted for unsymmetrically substituted biphenylethane derivatives, synthesized here using the so far unexplored unsymmetrically substituted 1,2-bis(4-bromophenyl)ethanes as key intermediates, which were...journal article 2016
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Gorczak, N. (author), Swart, M. (author), Grozema, F.C. (author)We calculated the energy landscape of charged molecules that is determined by electrostatic and induction interaction using the fully polarizable force field DRF90 in the bulk and at interfaces of the electron accepting material C60, and two exemplary electron donating materials pentacene and phthalocyanine. In particular, we compared the energy...journal article 2014
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Shinde, V.M. (author), Skupien, E. (author), Makkee, M. (author)Narrow sized and highly homogeneous dispersed Pd nanoparticles have been synthesized on nitric acid-functionalized multi-walled carbon nanotubes (CNTs) without a capping agent. The TEM images show that the extremely small Pd nanoparticles with an average size of about 1.5 nm were homogeneously dispersed on the surface of the CNTs. The...journal article 2015
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Danon, B. (author), Marcotullio, G. (author), De Jong, W. (author)In this paper both the mechanistic and kinetic aspects of furfural formation from pentoses in aqueous acidic media have been reviewed. Based on the reviewed literature, a comprehensive reaction mechanism has been proposed consisting of more than one route, all starting from acyclic xylose, and involving alternately 1,2-enolization, ?-elimination...journal article 2013
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Nederlof, C. (author), Vijfhuizen, P. (author), Zarubina, V. (author), Melián-Cabrera, I. (author), Kapteijn, F. (author), Makkee, M. (author)A packed bed microbalance reactor setup (TEOM-GC) is used to investigate the formation of coke as a function of time-on-stream on ?-Al2O3 and 3P/SiO2 catalyst samples under different conditions for the ODH reaction of ethylbenzene to styrene. All samples show a linear correlation of the styrene selectivity and yield with the initial coverage of...journal article 2014
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Second harmonic generation microscopy reveals hidden polar organization in fluoride doped MIL-53(Fe)Markey, K. (author), Putzeys, T. (author), Horcajada, P. (author), Devic, T. (author), Guillou, N. (author), Wübbenhorst, M. (author), Van Cleuvenbergen, S. (author), Verbiest, T. (author), De Vos, D.E. (author), Van der Veen, M.A. (author)Polar metal–organic frameworks have potential applications as functional non-linear optical, piezoelectric, pyroelectric and ferroelectric materials. Using second harmonic generation microscopy we found that fluoride doping of the microporous iron(III) terephthalate MOF MIL-53(Fe) induces a polar organization in its structure, which was not...journal article 2016
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Silvestri, C. (author), Riccio, M. (author), Poelma, R.H. (author), Morana, B. (author), Vollebregt, S. (author), Santagata, F. (author), Irace, A. (author), Zhang, G.Q. (author), Sarro, P.M. (author)Thermal material properties play a fundamental role in the thermal management of microelectronic systems. The porous nature of carbon nanotube (CNT) arrays results in a very high surface area to volume ratio, which makes the material attractive for surface driven heat transfer mechanisms. Here, we report on the heat transfer performance of...journal article 2016
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Sheldon, R.A. (author), Van Pelt, S. (author)In this tutorial review, an overview of the why, what and how of enzyme immobilisation for use in biocatalysis is presented. The importance of biocatalysis in the context of green and sustainable chemicals manufacture is discussed and the necessity for immobilisation of enzymes as a key enabling technology for practical and commercial viability...journal article 2013
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Khodadadia, S. (author), Sokolov, A.P. (author)We present an overview of protein dynamics based mostly on results of neutron scattering, dielectric relaxation spectroscopy and molecular dynamics simulations. We identify several major classes of protein motions on the time scale from faster than picoseconds to several microseconds, and discuss the coupling of these processes to solvent...journal article 2015
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Sartipi, S. (author), Makkee, M. (author), Kapteijn, F. (author), Gascon, J. (author)The combination of acidic zeolites and Fischer–Tropsch synthesis (FTS) catalysts for one-step production of liquid fuels from syngas is critically reviewed. Bifunctional systems are classified by the proximity between FTS and acid functionalities on three levels: reactor, catalyst particle, and active phase. A thorough analysis of the published...journal article 2014