Multilevel surrogate modeling of an amine scrubbing process for CO2capture

Surrogate models provide a powerful method for simplifying calculations within complex simulations. While surrogate models are broadly applied within chemical engineering, little research exists investigating the level of surrogacy's impact on a simplified process model. In this work, artificial neural networks (ANN) and Kriging models are used as surrogate models at the process, process unit, and thermodynamic levels for a CO₂ amine scrubbing process. The surrogated models are evaluated against an Aspen Plus simulation for accuracy, convergence behavior, computational cost, and ability to extrapolate. The thermodynamic and process unit models can better handle discontinuous, non-smooth behavior, and convergence issues in the surrogated truth model, but poor conditioning in the final system of equations results in a lower accuracy and convergence rate than the process level surrogate. Beyond model accuracy, availability of diverse data, intended re-usability, and the desired outputs must be considered when selecting a level of abstraction.     

Effect of lanthanum-modified magnesium silicate on isotactic polypropylene crystallization in composite materials during shear flow

The activity of isotactic polypropylene (iPP) nucleating additives during shear flow of composite materials is still not entirely explained. In current work the sol-gel method was employed to synthesize MgO·SiO₂ filler, surface-modified with trivalent lanthanum. The crystallization of commercial iPP in the presence of 0.5% by weight La³⁺ modified or unmodified silicates was analyzed. The wide angle X-ray scattering analysis proved that the presence of even small amount of filler influences significantly on supermolecular structure of iPP. The results of microscope observations confirmed that the lanthanum-modified filler shows the nucleating ability for iPP. In that case a significant reduction of crystallization induction time was noticed. The investigation of iPP crystallization in composites after shear treatment confirmed that the increase of shear rate reduces the nucleating ability of additives. Moreover, the flow of filler particles during shearing may impede the shear-induced crystallization phenomenon.     

Predetermination of potential plastic hinges on reinforced concrete frames using GFRP reinforcement

In the past, glass fiber-reinforced polymer (GFRP)-reinforcement has been successfully applied in reinforced concrete (RC) structures where corrosion resistance, electromagnetic neutrality, or cuttability were required. Previous investigations suggest that the application of GFRP in RC structures could be advantageous in areas with seismic activity due to their high deformability and strength. However, especially the low modulus of elasticity of GFRP limited its wide application as GFRP-reinforced members usually exhibit considerably larger deformations under service loads than comparable steel-reinforced elements. To overcome the aforementioned issues, the combination of steel and GFRP reinforcement in hybrid RC sections has been investigated in the past. Based on this idea, this paper presents a novel concept for the predetermination of potential plastic hinges in RC frames using GFRP reinforcement. To analyze the efficiency of the concept, nonlinear finite element simulations were performed. The results underscore the high efficiency of hybrid steel-GFRP RC sections for predetermining potential plastic hinges on RC frames. The results also indicate that the overall seismic behavior of RC structures could be improved by means of GFRP as both the column base shear force during the seismic activity as well as the plastic deformations after the earthquake were considerably less pronounced than in the steel-reinforced reference structure.     

Consistent Monitoring of Cointegrating Relationships: The US Housing Market and the Subprime Crisis

We propose a consistent monitoring procedure for structural change in a cointegrating relationship. The procedure is inspired by Chu et al. (1996) by being based on parameter estimation on a prebreak ‘calibration’ period. We use three modified least squares estimators to obtain nuisance parameter‐free limiting distributions. We study the asymptotic and finite sample properties of the procedures and finally apply the approach to monitor two‐fundamentals‐driven US housing prices cointegrating relationships over the period 1976:Q1–2010:Q4 using the data of Anundsen (2015). Depending on the relationship considered and the estimation method used, a break point is detected as early as 2003:Q2, that is, well before US housing prices started to fall in 2007.     

Sustainability of biofuels in Latin America: Risks and opportunities

Several Latin American countries are setting up biofuel programmes to establish alternative markets for agricultural commodities. This is mainly triggered by the current success of Brazilian bioethanol production for the domestic market and for export. Furthermore, the global biofuel market is expected to increase due to ambitious biofuel programmes in the EU and in the USA. Colombia, Venezuela, Costa Rica and Guatemala are focusing on bioethanol production from sugarcane whereas biofuel production in Argentina is based on soy biodiesel. Recent developments of the biofuel sector take place extremely rapid especially in Argentina, which became one of the five largest biodiesel producers in the world in 2008. Till date no specific biofuel sustainability certification systems have been implemented in Latin American, as well as on global level. This fact and the predominant use of food crops for biofuel production raise concerns about the sustainability of biofuel production related to environmental and social aspects. This paper provides an overview of the hotspots of conflicts in biofuel production in Latin America. It investigates presently available sustainability tools and initiatives to ensure sustainable biofuel production in Latin America. Finally, it provides an outlook on how to integrate sustainability in the Latin American biofuel sector.     

Cell Type-Specific Induction of Inflammation-Associated Genes in Crohn’s Disease and Colorectal Cancer

Based on the rapid increase in incidence of inflammatory bowel disease (IBD), the identification of susceptibility genes and cell populations contributing to this condition is essential. Previous studies suggested multiple genes associated with the susceptibility of IBD; however, due to the analysis of whole-tissue samples, the contribution of individual cell populations remains widely unresolved. Single-cell RNA sequencing (scRNA-seq) provides the opportunity to identify underlying cellular populations. We determined the enrichment of Crohn’s disease (CD)-induced genes in a publicly available Crohn’s disease scRNA-seq dataset and detected the strongest induction of these genes in innate lymphoid cells (ILC1), highly activated T cells and dendritic cells, pericytes and activated fibroblasts, as well as epithelial cells. Notably, these genes were highly enriched in IBD-associated neoplasia, as well as sporadic colorectal cancer (CRC). Indeed, the same six cell populations displayed an upregulation of CD-induced genes in a CRC scRNA-seq dataset. Finally, after integrating and harmonizing the CD and CRC scRNA-seq data, we demonstrated that these six cell types display a gradual increase in gene expression levels from a healthy state to an inflammatory and tumorous state. Together, we identified cell populations that specifically upregulate CD-induced genes in CD and CRC patients and could, therefore, contribute to inflammation-associated tumor development.     

The Use of a Novel Ferulic Acid Esterase from Lactobacillus acidophilus K1 for the Release of Phenolic Acids from Brewer's Spent Grain

In this work, an extracellular ferulic acid esterase was produced in bioreactor cultivations of Lactobacillus acidophilus K1 strain. The enzyme was partially purified using ultrafiltration (10 kDa), dialysis (4–6 kDa) and Fast Protein Liquid Chromatography (Sepharose CM, Sephacryl S‐300). A considerable increment of enzyme activity (31‐fold) in the final preparation was achieved. Two distinct bands (approx. 21.5 kDa and 39 kDa) were obtained after SDS‐PAGE. A high similarity of the purified enzyme (LC‐MS/MS analysis) to tannase and ferulic acid esterase from Burkholderia ambifaria MEX‐5 was obtained. The optimal pH and temperature for the enzyme activity were 6.3 and 37°C, respectively. The enzyme preparation effectively released phenolic acids (mainly ferulic and p‐coumaric acid) from brewer's spent grain. This novel enzyme preparation can be used for the utilisation of a valuable and inexpensive by‐product of the brewing industry.     

Reconstruction of graphs based on random walks

The analysis of complex networks is of major interest in various fields of science. In many applications we face the challenge that the exact topology of a network is unknown but we are instead given information about distances within this network. The theoretical approaches to this problem have so far been focusing on the reconstruction of graphs from shortest path distance matrices. Often, however, movements in networks do not follow shortest paths but occur in a random fashion. In these cases an appropriate distance measure can be defined as the mean length of a random walk between two nodes — a quantity known as the mean first hitting time.In this contribution we investigate whether a graph can be reconstructed from its mean first hitting time matrix and put forward an algorithm for solving this problem. A heuristic method to reduce the computational effort is described and analyzed. In the case of trees we can even give an algorithm for reconstructing graphs from incomplete random walk distance matrices.