Optimization strategy in the development process with application to cast components

At the development of commercial vehicles, it is necessary to develop cost-optimized components with respect to their entire lifetime. This requires a product development process that utilizes the possibility to simulate the product performance using modeling of different degrees of sophistication at any predefined level-of-detail (LOD). For example, the mechanical properties of a cast component depend strongly on the casting process, the simulation of which requires complex modeling at a high LOD. In this article, we propose an optimization strategy that is based on the LOD concept to develop cost-effective components. A sizing optimization of a cast model component is carried out with respect to both the mechanical and thermal response to exemplify the process. In particular, a (novel) global measure of the temperature in energy norm is introduced as an indicator of the “production fitness” to ensure high quality of the material properties. This measure is the thermal counterpart of the well-accepted mechanical strain energy.     

Sequential assignment of 1H, 15N, 13C resonances and secondary structure of human calmodulin-like protein determined by NMR spectroscopy

Human calmodulin-like protein (CLP) is closely related to vertebrate calmodulin, yet its unique cell specific expression pattern, overlapping but divergent biochemical properties, and specific target proteins suggest that it is not an isoform of calmodulin. To gain insight into the structural differences that may underlie the difference target specificities and biochemical properties of CLP when compared to calmodulin, we determined the sequential backbone assignment and associated secondary structure of 144 out of the 148 residues of Ca2+-CLP by using multinuclear multidimensional NMR spectroscopy. Despite a very high overall degree of structural similarity between CLP and calmodulin, a number of significant differences were found mainly in the length of alpha-helices and in the central nonhelical flexible region. Interestingly, the regions of greatest primary sequence divergence between CLP and calmodulin in helices III and VIII displayed only minor secondary structure differences. The data suggest that the distinct differences in target specificity and biochemical properties of CLP and calmodulin result from the sum of several minor structural and side-chain changes spread over multiple domains in these proteins.     

Screening of biomarkers in rat urine using LC/electrospray ionization-MS and two-way data analysis

Biofluids, like urine, form very complex matrixes containing a large number of potential biomarkers, that is, changes of endogenous metabolites in response to xenobiotic exposure. This paper describes a fast and sensitive method of screening biomarkers in rat urine. Biomarkers for phospholipidosis, induced by an antidepressant drug, were studied. Urine samples from rats exposed to citalopram were analyzed using solid-phase extraction (SPE) and liquid chromatography mass spectrometry (LC/MS) analysis detecting negative ions. A fast iterative method, called Gentle, was used for the automatic curve resolution, and metabolic fingerprints were obtained. After peak alignment principal component analysis (PCA) was performed for pattern recognition, PCA loadings were studied as a means of discovering potential biomarkers. In this study a number of potential biomarkers of phospholipidosis in rats are discussed. They are reported by their retention time and base peak, as their identification is not within the scope of the study. In addition to the fact that it was possible to differentiate control samples from dosed samples, the data were very easy to interpret, and signals from xenobiotic-related substances were easily removed without affecting the endogenous compounds. The proposed method is a complement or an alternative to NMR for metabolomic applications.     

Effects of the antiestrogenic environmental pollutant 3,3',4,4', 5-pentachlorobiphenyl (PCB #126) in rat bone and uterus: diverging effects in ovariectomized and intact animals

The purpose of this study was to compare effects on rat bone and uterus of estrogen depletion and exposure to the coplanar PCB-congener 3,3',4,4',5-pentachlorobiphenyl (PCB #126) which exhibits anti-estrogenic properties. Half of the rats were ovariectomized (n = 20) and the other half were sham-operated. Ten of the ovariectomized rats and ten of the sham operated were exposed to PCB #126 (ip injections) for 3 months (total dose: 384 microgram/kg body wt). The remaining control rats were injected with corn oil (vehicle). The rats were killed and the tibiae and uteri were dissected. The left tibia was used for measurements of weight, length, and bone mineral density and the right for histomorphometrical analysis. The uteri were analyzed with respect to estrogen receptor content. PCB #126 exposure did not affect bone mineral density or trabecular bone volume of tibia in sham-operated rats. In ovariectomized rats PCB #126 exposure resulted in a decreased length and an increased bone mineral density of tibia. An obvious PCB #126 induced increase in osteoid surface was observed in sham-operated rats. The cortical thickness and the organic content of the tibia were also increased in these rats. In estrogen deprived tissue like the uteri of ovariectomized rats, PCB #126 showed weak estrogen agonistic activity. The observed effects of PCB #126 on bone and uterine tissues differed between ovariectomized and sham-operated rats.     

Bio-methanol: How energy choices in the western United States can help mitigate global climate change

Converting available biomass from municipal, agricultural and forest wastes to bio-methanol can result in significant environmental and economic benefits. Keeping these benefits in mind, one plausible scenario discussed here is the potential to produce energy using bio-methanol in five states of the western United States. In this scenario, the bio-methanol produced is from different biomass sources and used as a substitute for fossil fuels in energy production. In the U.S. West, forest materials are the dominant biomass waste source in Idaho, Montana, Oregon and Washington, while in California, the greatest amount of available biomass is from municipal wastes. Using a 100% rate of substitution, bio-methanol produced from these sources can replace an amount equivalent to most or all of the gasoline consumed by motor vehicles in each state. In contrast, when bio-methanol powered fuel cells are used to produce electricity, it is possible to generate 12–25% of the total electricity consumed annually in these five states.As a gasoline substitute, bio-methanol can optimally reduce vehicle C emissions by 2–29 Tg of C (23–81% of the total emitted by each state). Alternatively, if bio-methanol supported fuel cells are used to generate electricity, from 2 to 32 Tg of C emissions can be avoided. The emissions avoided, in this case, could equate to 25–32% of the total emissions produced by these particular western states when fossil fuels are used to generate electricity. The actual C emissions avoided will be lower than the estimates here because C emissions from the methanol production processes are not included; however, such emissions are expected to be relatively low. In general, there is less carbon emitted when bio-methanol is used to generate electricity with fuel cells than when it is used as a motor vehicle fuel.In the state of Washington, thinning “high-fire-risk” small stems, namely 5.1–22.9 cm diameter trees, from wildfire-prone forests and using them to produce methanol for electricity generation with fuel cells would avoid C emissions of 3.7–7.3 Mg C/ha. Alternatively, when wood-methanol produced from the high-fire-risk wood is used as a gasoline substitute, 3.3–6.6 Mg C/ha of carbon emissions are avoided. If these same “high-fire-risk” woody stems were burned during a wildfire 7.9 Mg C/ha would be emitted in the state of Washington alone. Although detailed economic analyses of producing methanol from biomass are in its infancy, we believe that converting biomass into methanol and substituting it for fossil-fuel-based energy production is a viable option in locations that have high biomass availability.     

Hierarchical model-based predictive control of a power plant portfolio

One of the main difficulties in large-scale implementation of renewable energy in existing power systems is that the production from renewable sources is difficult to predict and control. For this reason, fast and efficient control of controllable power producing units – so-called “portfolio control” – becomes increasingly important as the ratio of renewable energy in a power system grows. As a consequence, tomorrow's “smart grids” require highly flexible and scalable control systems compared to conventional power systems. This paper proposes a hierarchical model-based predictive control design for power system portfolio control, which aims specifically at meeting these demands.The design involves a two-layer hierarchical structure with clearly defined interfaces that facilitate an object-oriented implementation approach. The same hierarchical structure is reflected in the underlying optimisation problem, which is solved using Dantzig–Wolfe decomposition. This decomposition yields improved computational efficiency and better scalability compared to centralised methods.The proposed control scheme is compared to an existing, state-of-the-art portfolio control system (operated by DONG Energy in Western Denmark) via simulations on a real-world scenario. Despite limited tuning, the new controller shows improvements in terms of ability to track reference production as well as economic performance.     

Copolymerization and polymer blending of trimethylene carbonate and adipic anhydride for tailored drug delivery

The copolymerization in bulk and solution of trimethylene carbonate (TMC) with adipic anhydride (AA) as well as the blending of homopolymers are described. We show experimentally that the components are not copolymerizable but partially miscible, forming a microscopic dispersion without any visible signs of phase separation. Poly(adipic anhydride) (PAA) functions as a plasticizer, permitting an increase in the erosion rate by increasing the porosity and hydration. Drug delivery from the blends was evaluated. A statistical factorial model was designed to explore the influence of three important blend parameters and their interactions, making it possible to predict the erosion and drug‐release behavior of the blend matrices. The PAA:poly(trimethylene carbonate) (PTMC) ratio and molecular weight of the polycarbonate component significantly influence the drug‐release performance, mass loss, and degree of plasticization. The interaction among these factors also influences the blend properties. Plasticization of PTMC enhances the drug release to an extent that is dependent on the amount of PAA used. We demonstrate that blending offers a convenient alternative to copolymerization for the preparation of polymer matrices with predictable drug delivery. © 1999 John Wiley & Sons, Inc. J Appl Polym Sci 72: 227–239, 1999     

Visualization of GC/TOF-MS-based metabolomics data for identification of biochemically interesting compounds using OPLS class models

Metabolomics studies generate increasingly complex data tables, which are hard to summarize and visualize without appropriate tools. The use of chemometrics tools, e.g., principal component analysis (PCA), partial least-squares to latent structures (PLS), and orthogonal PLS (OPLS), is therefore of great importance as these include efficient, validated, and robust methods for modeling information-rich chemical and biological data. Here the S-plot is proposed as a tool for visualization and interpretation of multivariate classification models, e.g., OPLS discriminate analysis, having two or more classes. The S-plot visualizes both the covariance and correlation between the metabolites and the modeled class designation. Thereby the S-plot helps identifying statistically significant and potentially biochemically significant metabolites, based both on contributions to the model and their reliability. An extension of the S-plot, the SUS-plot (shared and unique structure), is applied to compare the outcome of multiple classification models compared to a common reference, e.g., control. The used example is a gas chromatography coupled mass spectroscopy based metabolomics study in plant biology where two different transgenic poplar lines are compared to wild type. By using OPLS, an improved visualization and discrimination of interesting metabolites could be demonstrated.     

Prehydrolysis in softwood pulping produces a valuable biorefinery fraction for material utilization

A scaled-up prehydrolysis process was elaborated to demonstrate an industrially feasible operation step in a pulping process that generates a valuable side product in addition to the cellulose pulp. The valuable side product is aqueous process liquor, a softwood hydrolysate (SWH) herein produced in 60 L batches, and its components were recovered and utilized as materials. The process parameters were shown to influence the yield, composition, and quality of the obtained hydrolysates. Furthermore, the process conditions were shown to influence the ability of SWHs to form free-standing, foldable films in blends with either microfibrillated cellulose (MFC) or carboxymethyl cellulose (CMC). Films with oxygen permeabilities (OP) as low as 0.35 cm(3) μm day(-1) m(-2) kPa(-1) at 50% relative humidity, were produced from aqueous solutions providing a viable and green alternative to petroleum-based packaging barriers. The OPs were very low regardless of SWH film composition and upgrading conditions, whereas the films' tensile performance was directly controlled by the ratio of SWH to cocomponent.