Production and Downstream Integration of 5-(Chloromethyl)furfural from Lignocellulose

The importance of reducing the strong dependence of the chemical industry on fossil feedstock is no longer a debate. Above-the-ground carbon is abundant, but scalable technologies to supply alternatives to fossil-fuel-derived chemicals and/or materials at the world scale are still not available. Lignocellulosic biomass is the most available carbon source, and a first requirement for its valorization is the complete saccharification of its sugar-bearing components. HCl-based technologies can achieve this at 20 °C and ambient pressure. These principles were disclosed in the 1920s, but the inability to economically separate sugars from acids impeded its commercialization. Avantium Chemicals B.V. developed a modern version of this “Bergius” highly concentrated acid hydrolysis, in which the saccharides in HCl are transformed into furanics without any prior purification, in particular, to 5-(chloromethyl)furfural (CMF). Saccharide conversion to CMF was developed by Mascal in the early 2000s. CMF is extracted in situ using immiscible organic solvents, allowing for an easy product separation. This study not only targets to investigate the viability and optimization of this integrated process but also aims to predict the outcome of the CMF formation reaction by applying design of experiment techniques from the hydrolyzed saccharides varying a broad range of reaction parameters

Dropping cold quantum gases on Earth over long times and large distances

We describe the non-relativistic time evolution of an ultra-cold degenerate quantum gas (bosons/fermions) falling in Earth's gravity during long times (10 sec) and over large distances (100 m). This models a drop tower experiment that is currently performed by the QUANTUS collaboration at ZARM (Bremen, Germany). Starting from the classical mechanics of the drop capsule and a single particle trapped within, we develop the quantum field theoretical description for this experimental situation in an inertial frame, the corotating frame of the Earth, as well as the comoving frame of the drop capsule. Suitable transformations eliminate non-inertial forces, provided all external potentials (trap, gravity) can be approximated with a second order Taylor expansion around the instantaneous trap center. This is an excellent assumption and the harmonic potential theorem applies. As an application, we study the quantum dynamics of a cigar-shaped Bose-Einstein condensate in the Gross-Pitaevskii mean-field approximation. Due to the instantaneous transformation to the rest-frame of the superfluid wave packet, the long-distance drop (100m) can be studied easily on a numerical grid.Comment: 18 pages latex, 5 eps figures, submitte

Multiplicity, Invariants and Tensor Product Decomposition of Tame Representations of U(\infty)

The structure of r-fold tensor products of irreducible tame representations of the inductive limit U(\infty) of unitary groups U(n) are are described, versions of contragredient representations and invariants are realized on Bargmann-Segal-Fock spaces.Comment: 48 pages, LaTeX file, to appear in J. Math. Phy

A novel heteroditopic terpyridine-pincer ligand as building block for mono- and heterometallic Pd(II) and Ru(II) complexes

A palladium-catalyzed Stille coupling reaction was employed as a versatile method for the synthesis of a novel terpyridine-pincer (3, TPBr) bridging ligand, 4'-{4-BrC6H2(CH2NMe2)(2)-3,5}-2,2':6',2 ''-terpyridine. Mononuclear species [PdX(TP)] (X = Br, Cl), [Ru(TPBr)(tpy)](PF6)(2), and [Ru(TPBr)(2)](PF6)(2), synthesized by selective metalation of the NCNBr-pincer moiety or complexation of the terpyridine of the bifunctional ligand TPBr, were used as building blocks for the preparation of heterodi- and trimetallic complexes [Ru(TPPdCl)(tpy)](PF6)(2) (7) and [Ru(TPPdCl)(2)]-(PF6)(2) (8). The molecular structures in the solid state of [PdBr(TP)] (4a) and [Ru(TPBr)(2)](PF6)(2) (6) have been determined by single-crystal X-ray analysis. Electrochemical behavior and photophysical properties of the mono-and heterometallic complexes are described. All the above di- and trimetallic Ru complexes exhibit absorption bands attributable to (MLCT)-M-1 (Ru -> tpy) transitions. For the heteroleptic complexes, the transitions involving the unsubstituted tpy ligand are at a lower energy than the tpy moiety of the TPBr ligand. The absorption bands observed in the electronic spectra for TPBr and [PdCl(TP)] have been assigned with the aid of TD-DFT calculations. All complexes display weak emission both at room temperature and in a butyronitrile glass at 77 K. The considerable red shift of the emission maxima relative to the signal of the reference compound [Ru(tpy)(2)](2+) indicates stabilization of the luminescent (MLCT)-M-3 state. For the mono- and heterometallic complexes, electrochemical and spectroscopic studies (electronic absorption and emission spectra and luminescence lifetimes recorded at room temperature and 77 K in nitrile solvents), together with the information gained from IR spectroelectrochemical studies of the dimetallic complex [Ru(TPPdSCN)(tpy)](PF6)(2), are indicative of charge redistribution through the bridging ligand TPBr. The results are in line with a weak coupling between the {Ru(tpy)(2)} chromophoric unit and the (non)metalated NCN-pincer moiety

Rapid risk assessment tool (RRAT) to prioritize emerging and re-emerging livestock diseases for risk management

Increasing globalization and international trade contribute to rapid expansion of animal and human diseases. Hence, preparedness is warranted to prevent outbreaks of emerging and re-emerging diseases or detect outbreaks in an early stage. We developed a rapid risk assessment tool (RRAT) to inform risk managers on the incursion risk of multiple livestock diseases, about the main sources for incursion and the change of risk over time. RRAT was built as a relational database to link data on disease outbreaks worldwide, on introduction routes and on disease-specific parameters. The tool was parameterized to assess the incursion risk of 10 livestock diseases for the Netherlands by three introduction routes: legal trade in live animals, legal trade of animal products, and animal products illegally carried by air travelers. RRAT calculates a semi-quantitative risk score for the incursion risk of each disease, the results of which allow for prioritization. Results based on the years 2016-2018 indicated that the legal introduction routes had the highest incursion risk for bovine tuberculosis, whereas the illegal route posed the highest risk for classical swine fever. The overall incursion risk via the illegal route was lower than via the legal routes. The incursion risk of African swine fever increased over the period considered, whereas the risk of equine infectious anemia decreased. The variation in the incursion risk over time illustrates the need to update the risk estimates on a regular basis. RRAT has been designed such that the risk assessment can be automatically updated when new data becomes available. For diseases with high-risk scores, model results can be analyzed in more detail to see which countries and trade flows contribute most to the risk, the results of which can be used to design risk-based surveillance. RRAT thus provides a multitude of information to evaluate the incursion risk of livestock diseases at different levels of detail. To give risk managers access to all results of RRAT, an online visualization tool was built.</p

De-pollution efficacy of photocatalytic roofing granules

Photocatalytic building surfaces can harness sunlight to reduce urban air pollution. The NOx abatement capacity of TiO2-coated granules used in roofing products was evaluated for commercial product development. A laboratory test chamber and ancillary setup were built following conditions prescribed by ISO Standard 22197-1. It was validated by exposing reference P25-coated aluminum plates to a 3 L min−1 air flow enriched in 1 ppm NO under UVA irradiation (360 nm, 11.5 W m−2). We characterized prototype granule-surfaced asphalt shingles and loose granules prepared with different TiO2 loadings and post-treatment formulations. Tests performed at surface temperatures of 25 and 60 °C showed that NOx abatement was more effective at the higher temperature. Preliminary tests explored the use of 1 ppm NO2 and of 1 ppm and 0.3 ppm NO/NO2 mixtures. Specimens were aged in a laboratory accelerated weathering apparatus, and by exposure to the outdoor environment over periods that included dry and rainy seasons. Laboratory aging led to higher NO removal and NO2 formation rates, and the same catalyst activation was observed after field exposure with frequent precipitation. However, exposure during the dry season reduced the performance. This inactivation was mitigated by cleaning the surface of field-exposed specimens. Doubling the TiO2 loading led to a 50–150% increase in NO removal and NOx deposition rates. Application of different post-treatment coatings decreased NO removal rates (21–35%) and NOx deposition rates (26–74%) with respect to untreated granules. The mass balance of nitrogenated species was assessed by extracting granules after UV exposure in a 1 ppm NO-enriched atmosphere