Predicting protein diffusion coefficients

Diffusion coefficients for proteins in water are predicted. The numerical method developed is general enough to be applied to a wide range of protein surface shapes, from rodlike to globular. Results are presented for lysozyme and tobacco mosaic virus, and they are compared with actual data and with predictions made by less general methods.     

A digital library framework for heterogeneous music collections: from document acquisition to cross-modal interaction

In this paper, we present a digital library system for managing heterogeneous music collections. The heterogeneity refers to various document types and formats as well as to different modalities, e. g., CD-audio recordings, scanned sheet music, and lyrics. The system offers a full-fledged, widely automated document processing chain: digitization, indexing, annotation, access, and presentation. Our system is implemented as a generic and modular music repository based on a service-oriented software architecture. As a particular strength of our approach, the various documents representing aspects of a piece of music are jointly considered in all stages of the document processing chain. Our user interfaces allow for a multimodal and synchronized presentation of documents (WYSIWYH: what you see is what you hear), a score- or lyrics-based navigation in audio, as well as a cross- and multimodal retrieval. Hence, our music repository may be called a truly cross-modal library system. In our paper, we describe the system components, outline the techniques of the document processing chain, and illustrate the implemented functionalities for user interaction. We describe how the system is put into practice at the Bavarian State Library (BSB) Munich as a part of the German PROBADO Digital Library Initiative (PDLI).     

New inhibitors of the Tat-TAR RNA interaction found with a "fuzzy" pharmacophore model

TAR RNA is a potential target for AIDS therapy. Ligand-based virtual screening was performed to retrieve novel scaffolds for RNA-binding molecules capable of inhibiting the Tat-TAR interaction, which is essential for HIV replication. We used a "fuzzy" pharmacophore approach (SQUID) and an alignment-free pharmacophore method (CATS3D) to carry out virtual screening of a vendor database of small molecules and to perform "scaffold-hopping". A small subset of 19 candidate molecules were experimentally tested for TAR RNA binding in a fluorescence resonance energy transfer (FRET) assay. Both methods retrieved molecules that exhibited activities comparable to those of the reference molecules acetylpromazine and chlorpromazine, with the best molecule showing ten times better binding behavior (IC50 = 46 microM). The hits had molecular scaffolds different from those of the reference molecules.     

Designing Personalized Garments with Body Movement

The standardized sizes used in the garment industry do not cover the range of individual differences in body shape for most people, leading to ill-fitting clothes, high return rates and overproduction. Recent research efforts in both industry and academia, therefore, focus on virtual try-on and on-demand fabrication of individually fitting garments. We propose an interactive design tool for creating custom-fit garments based on 3D body scans of the intended wearer. Our method explicitly incorporates transitions between various body poses to ensure a better fit and freedom of movement. The core of our method focuses on tools to create a 3D garment shape directly on an avatar without an underlying sewing pattern, and on the adjustment of that garment's rest shape while interpolating and moving through the different input poses. We alternate between cloth simulation and rest shape adjustment based on stretch to achieve the final shape of the garment. At any step in the real-time process, we allow for interactive changes to the garment. Once the garment shape is finalized for production, established techniques can be used to parameterize it into a 2D sewing pattern or transform it into a knitting pattern.     

AR-based serious game framework for post-stroke rehabilitation

Stroke is considered one of the main causes of death around the world. Survivors often suffer different kinds of disabilities in terms of their cognitive and motor capabilities, and are therefore unable to perform their day-to-day activities. To regain some of their cognitive as well as motor abilities, they require rehabilitation. To this end, we present a serious game framework based on augmented reality technology that may motivate the patients’ involvement in the rehabilitation exercise. Additionally, we analyze the requirements for such a framework and describe the concept and implementation of the proposed approach. Furthermore, we designed a wireless vibrotactile output device that is attached to a tangible object. The tangible object that is connected to the framework can give haptic as well as audio-visual feedback to the patient in a more motivating and entertaining environment for rehabilitation exercises. The suitability and utility of the proposed framework was evaluated with real stroke patients and compared against the performance of a healthy control group, thus facilitating occupational therapists in assessing a patient’s progress. Our evaluations show that the serious games with vibrotactile feedback are well accepted by patients.     

Proteome alterations induced in human white blood cells by consumption of Brussels sprouts: Results of a pilot intervention study

Epidemiological studies indicate a correlation of cruciferous vegetables consumption with reduced incidence of cancer. This study was designed to investigate molecular mechanisms, which may help to understand the beneficial effects of Brussels sprout consumption. In order to avoid the limitations of in vitro model systems, we performed a dietary intervention study with five participants. We investigated, whether sprout consumption affects the proteome profile of primary white blood cells. In order to achieve maximal sensitivity in detecting specific adaptive proteome alterations, we metabolically labelled freshly isolated cells in the presence of ³⁵S‐methionine/cysteine and performed autoradiographic quantification of protein synthesis. Proteins were separated by 2‐DE and spots of interest were cut out, digested and identified by MS. After the intervention, we found a significant up‐regulation of the synthesis of manganese superoxide dismutase (1.56‐fold) and significant down‐regulation of the synthesis of heat shock 70 kDa protein (hsp70; 2.27‐fold). Both proteins play a role in malignant transformation of cells. Hsp‐70 is involved in the regulation of apoptosis, which leads to elimination of cancer cells, while SOD plays a key role in protection against reactive oxygen species mediated effects. Our findings indicate that the alteration of the synthesis of these proteins may be involved in the anticarcinogenic effects of cruciferous vegetables, which was observed in earlier laboratory studies with animals.     

Science and technology in the region: The output of regional science and technology, its strengths and its leading institutions

Summary We operationalize scientific output in a region by means of the number of articles (as in the SciSearch database) per year and technology output by means of the number of patent applications (as in the database of the European Patent Office) per priority year. All informetric analyses were done using the DIALOG online-system. The main research questions are the following: Which scientific and technological fields or topics are most influent within a region and which institutions or companies are mainly publishing articles or holding patents? Do the distributions of regional science and technology fields and of publishing institutions follow the well-known informetric function? Are there - as it is expected - only few fields and few institutions which dominate the region? Is there a connection between the economic power of a region and the regional publication and patent output? Examples studied in detail are seven German regions: Aachen, Düsseldorf, Hamburg, Köln (Cologne), Leipzig - Halle - Dessau, München (Munich), and Stuttgart. Three different indicators were used, science and technology attraction of a region (number of scientific articles and patents), science and technology intensity (articles and patents per 1,000 inhabitants), and science and technology density (articles and patents per 1 billion EURO gross value added). Top region concerning both attraction and intensity is Munich, concerning density it is Aachen.