An automatic initialization procedure in parameter estimation problems with parameter-affine dynamic models

This paper proposes an initialization approach for parameter estimation problems (PEPs) involving parameter-affine dynamic models. By using the state measurements, the nonconvex PEP is modified such that a convex approximation to the original PEP is obtained. The modified problem is solved by convex optimization methods yielding an approximate solution to the original PEP. The approximate solution can be further refined by linearizing the original problem around the obtained minimum. An assessment of the distance between the real solution and the one provided by the linearization of the problem around the convex approximation is presented. The optimum obtained by the convex approximation is used to subsequently initialize a simultaneous Gauss–Newton (SGN) approach on the original nonconvex PEP. Comparative results for the SGN with arbitrary initialization and with the proposed approach are presented using three benchmark examples in the chemical and biological fields.     

Iron‐Catalyzed Epoxidation of Aromatic Olefins and 1,3‐Dienes

The combination of iron(III) chloride, pyridine‐2,6‐dicarboxylic acid and formamidine ligands allows for the epoxidation of styrenes and conjugated dienes in excellent chemoselectivity and yields.     

Inhibition of Eimeria tenella CDK‐Related Kinase 2: From Target Identification to Lead Compounds

Apicomplexan parasites encompass several human‐ and animal‐pathogenic protozoans such as Plasmodium falciparum, Toxoplasma gondii, and Eimeria tenella. E. tenella causes coccidiosis, a disease that afflicts chickens, leading to tremendous economic losses to the global poultry industry. The considerable increase in drug resistance makes it necessary to develop new therapeutic strategies against this parasite. Cyclin‐dependent kinases (CDKs) are key molecules in cell‐cycle regulation and are therefore prominent target proteins in parasitic diseases. Bioinformatics analysis revealed four potential CDK‐like proteins, of which one—E. tenella CDK‐related kinase 2 (EtCRK2)—has already been characterized by gene cloning and expression. 1 By using the CDK‐specific inhibitor flavopiridol in EtCRK2 enzyme assays and schizont maturation assays (SMA), we could chemically validate CDK‐like proteins as potential drug targets. An X‐ray crystal structure of human CDK2 (HsCDK2) served as a template to build protein models of EtCRK2 by comparative homology modeling. Structural differences in the ATP binding site between EtCRK2 and HsCDK2, as well as chicken CDK3, were addressed for the optimization of selective ATP‐competitive inhibitors. Virtual screening and “wet‐bench” high‐throughput screening campaigns on large compound libraries resulted in an initial set of hit compounds. These compounds were further analyzed and characterized, leading to a set of four promising lead compounds for development as EtCRK2 inhibitors.     

Quality Changes of Shrimp (Pandalus borealis) Stored under Different Cooling Conditions

The influence of different cooling techniques and storage temperatures (‐1.5 °C or 1.5 °C) to prolong the shelf life of shrimp was evaluated by sensory analysis, physical methods, chemical analysis, and microbial analysis. Storage in liquid ice was more effective than flake ice or brine mixed with flake ice in delaying spoilage of the shrimp by slowing down microbial growth and formation of total volatile basic nitrogen (TVB‐N) and trimethylamine (TMA). Total viable counts (TVC) showed that bacteria grew most quickly in shrimp stored in flake ice and in brine mixed with flake ice, followed by those in liquid ice at 1.5 °C and ‐1.5 °C, respectively. Lowest counts were observed in shrimp stored in liquid ice at ‐1.5 °C where the lag phase of growth was apparently extended at the beginning of storage. Principal component analysis (PCA) showed a good correlation between quality indicators related to microbial growth, TVC, pH, TVB‐N, TMA, responses of an electronic nose and sensory evaluation.     

Application of proteomics to understand the molecular mechanisms behind meat quality

The proteome is expressed from the genome, influenced by environmental and processing conditions, and can be seen as the molecular link between the genome and the functional quality characteristics of the meat. In contrast to traditional biochemical methods where one protein is studied at a time, several hundred proteins can be studied simultaneously. Proteomics is a promising and powerful tool in meat science and this is reflected by the increasing number of studies emerging in the literature using proteomics as the key tool to unleash the molecular mechanisms behind different genetic backgrounds or processing techniques of meat. Thus understanding the variations and different components of the proteome with regard to a certain meat quality or process parameter will lead to knowledge that can be used in optimising the conversion of muscles to meat. At present, there has been focus on development of techniques and mapping of proteomes according to genotypes and muscle types. In the future, focus should be more towards understanding and finding markers for meat quality traits. This review will focus on the methods used in the published proteome analyses of meat, with emphasis on the challenges related to statistical analysis of proteome data, and on the different topics of meat science that are investigated.     

Gas–Surface Interactions on Quasicrystals

To commemorate the awarding of the Nobel Prize for Chemistry to Daniel Shechtman for his discovery of quasicrystals, this paper reviews our recent studies of the interaction of rare gases and hydrocarbon gases with the tenfold surface of quasicrystalline decagonal Al-Co-Ni.     

Heißgasfiltration im Synthesegas aus Biomasse

During thermochemical conversion of biological material in a fluidized bed reactor the nutrients are remaining as dust in the product gas. Hot gas filtration represents a possibility to recover these minerals. The characteristics of this gas add up new technical tasks. The following article gives an account of long lasting experience of operation and optimization in a pilot plant.     

Tuning Parameter Tolerance Design: Foundations, Methods, and Measures

In this paper, a novel technique is presented to solve tolerance design problems. To achieve the desired performance tolerance, the technique uses a subtle, but significant, change in the design: the addition of a tuning parameter in place of an increase in component precision. Statistical models are used to develop a framework for the tuning parameter design method. Also developed is a new, dimensionless design metric which ranks candidate tuning parameters. A step-by-step method is developed for the application of tuning parameters using this metric. The step-by-step tuning parameter design method is applied to a heavy-duty manual stapler as a clarifying example.