@article{AbouzarPoghossianCherstvyetal.2012, author = {Abouzar, Maryam H. and Poghossian, Arshak and Cherstvy, Andrey G. and Pedraza, Angela M. and Ingebrandt, Sven and Sch{\"o}ning, Michael Josef}, title = {Label-free electrical detection of DNA by means of field-effect nanoplate capacitors: Experiments and modeling}, series = {Physica Status Solidi (a)}, volume = {209}, journal = {Physica Status Solidi (a)}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1862-6319}, doi = {10.1002/pssa.201100710}, pages = {925 -- 934}, year = {2012}, abstract = {Label-free electrical detection of consecutive deoxyribonucleic acid (DNA) hybridization/denaturation by means of an array of individually addressable field-effect-based nanoplate silicon-on-insulator (SOI) capacitors modified with gold nanoparticles (Au-NP) is investigated. The proposed device detects charge changes on Au-NP/DNA hybrids induced by the hybridization or denaturation event. DNA hybridization was performed in a high ionic-strength solution to provide a high hybridization efficiency. On the other hand, to reduce the screening of the DNA charge by counter ions and to achieve a high sensitivity, the sensor signal induced by the hybridization and denaturation events was measured in a low ionic-strength solution. High sensor signals of about 120, 90, and 80 mV were registered after the DNA hybridization, denaturation, and re-hybridization events, respectively. Fluorescence microscopy has been applied as reference method to verify the DNA immobilization, hybridization, and denaturation processes. An electrostatic charge-plane model for potential changes at the gate surface of a nanoplate field-effect sensor induced by the DNA hybridization has been developed taking into account both the Debye length and the distance of the DNA charge from the gate surface.}, language = {en} } @article{AtlasBrealeyDharetal.2012, author = {Atlas, Glen and Brealey, David and Dhar, Sunil and Dikta, Gerhard and Singer, Meryvn}, title = {Additional hemodynamic measurements with an esophageal Doppler monitor: a preliminary report of compliance, force, kinetic energy, and afterload in the clinical setting}, series = {Journal of clinical monitoring and computing}, journal = {Journal of clinical monitoring and computing}, number = {26}, publisher = {Springer Nature}, address = {London}, isbn = {1573-2614}, doi = {10.1007/s10877-012-9386-5}, pages = {473 -- 482}, year = {2012}, abstract = {The esophageal Doppler monitor (EDM) is a minimally-invasive hemodynamic device which evaluates both cardiac output (CO), and fluid status, by estimating stroke volume (SV) and calculating heart rate (HR). The measurement of these parameters is based upon a continuous and accurate approximation of distal thoracic aortic blood flow. Furthermore, the peak velocity (PV) and mean acceleration (MA), of aortic blood flow at this anatomic location, are also determined by the EDM. The purpose of this preliminary report is to examine additional clinical hemodynamic calculations of: compliance (C), kinetic energy (KE), force (F), and afterload (TSVRi). These data were derived using both velocity-based measurements, provided by the EDM, as well as other contemporaneous physiologic parameters. Data were obtained from anesthetized patients undergoing surgery or who were in a critical care unit. A graphical inspection of these measurements is presented and discussed with respect to each patient's clinical situation. When normalized to each of their initial values, F and KE both consistently demonstrated more discriminative power than either PV or MA. The EDM offers additional applications for hemodynamic monitoring. Further research regarding the accuracy, utility, and limitations of these parameters is therefore indicated.}, language = {en} } @article{BassamHeschelerTemizArtmannetal.2012, author = {Bassam, Rasha and Hescheler, J{\"u}rgen and Temiz Artmann, Ayseg{\"u}l and Artmann, Gerhard and Digel, Ilya}, title = {Effects of spermine NONOate and ATP on the thermal stability of hemoglobin}, series = {BMC Biophysics}, volume = {5}, journal = {BMC Biophysics}, publisher = {BioMed Central}, address = {London}, issn = {2046-1682}, doi = {10.1186/2046-1682-5-16}, pages = {Art. 16}, year = {2012}, abstract = {Background Minor changes in protein structure induced by small organic and inorganic molecules can result in significant metabolic effects. The effects can be even more profound if the molecular players are chemically active and present in the cell in considerable amounts. The aim of our study was to investigate effects of a nitric oxide donor (spermine NONOate), ATP and sodium/potassium environment on the dynamics of thermal unfolding of human hemoglobin (Hb). The effect of these molecules was examined by means of circular dichroism spectrometry (CD) in the temperature range between 25°C and 70°C. The alpha-helical content of buffered hemoglobin samples (0.1 mg/ml) was estimated via ellipticity change measurements at a heating rate of 1°C/min. Results Major results were: 1) spermine NONOate persistently decreased the hemoglobin unfolding temperature T u irrespectively of the Na + /K + environment, 2) ATP instead increased the unfolding temperature by 3°C in both sodium-based and potassium-based buffers and 3) mutual effects of ATP and NO were strongly influenced by particular buffer ionic compositions. Moreover, the presence of potassium facilitated a partial unfolding of alpha-helical structures even at room temperature. Conclusion The obtained data might shed more light on molecular mechanisms and biophysics involved in the regulation of protein activity by small solutes in the cell.}, language = {en} } @article{BohrnStuetzFuchsetal.2012, author = {Bohrn, U. and St{\"u}tz, E. and Fuchs, K. and Fleischer, M. and Sch{\"o}ning, Michael Josef and Wagner, P.}, title = {Monitoring of irritant gas using a whole-cell-based sensor system}, series = {Sensors and Actuators B: Chemical}, volume = {175}, journal = {Sensors and Actuators B: Chemical}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0925-4005}, doi = {10.1016/j.snb.2012.05.088}, pages = {208 -- 217}, year = {2012}, abstract = {Cell-based sensors for the detection of gases have long been underrepresented, due to the cellular requirement of being cultured in a liquid environment. In this work we established a cell-based gas biosensor for the detection of toxic substances in air, by adapting a commercial sensor chip (Bionas®), previously used for the measurement of pollutants in liquids. Cells of the respiratory tract (A549, RPMI 2650, V79), which survive at a gas phase in a natural context, are used as biological receptors. The physiological cell parameters acidification, respiration and morphology are continuously monitored in parallel. Ammonia was used as a highly water-soluble model gas to test the feasibility of the sensor system. Infrared measurements confirmed the sufficiency of the medium draining method. This sensor system provides a basis for many sensor applications such as environmental monitoring, building technology and public security.}, language = {en} } @article{BaeckerRaueSchusseretal.2012, author = {B{\"a}cker, Matthias and Raue, Markus and Schusser, Sebastian and Jeitner, C. and Breuer, L. and Wagner, P. and Poghossian, Arshak and F{\"o}rster, Arnold and Mang, Thomas and Sch{\"o}ning, Michael Josef}, title = {Microfluidic chip with integrated microvalves based on temperature- and pH-responsive hydrogel thin films}, series = {Physica Status Solidi (a)}, volume = {209}, journal = {Physica Status Solidi (a)}, number = {5}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1862-6319}, doi = {10.1002/pssa.201100763}, pages = {839 -- 845}, year = {2012}, abstract = {Two types of microvalves based on temperature-responsive poly(N-isopropylacrylamide) (PNIPAAm) and pH-responsive poly(sodium acrylate) (PSA) hydrogel films have been developed and tested. The PNIPAAm and PSA hydrogel films were prepared by means of in situ photopolymerization directly inside the fluidic channel of a microfluidic chip fabricated by combining Si and SU-8 technologies. The swelling/shrinking properties and height changes of the PNIPAAm and PSA films inside the fluidic channel were studied at temperatures of deionized water from 14 to 36 °C and different pH values (pH 3-12) of Titrisol buffer, respectively. Additionally, in separate experiments, the lower critical solution temperature (LCST) of the PNIPAAm hydrogel was investigated by means of a differential scanning calorimetry (DSC) and a surface plasmon resonance (SPR) method. Mass-flow measurements have shown the feasibility of the prepared hydrogel films to work as an on-chip integrated temperature- or pH-responsive microvalve capable to switch the flow channel on/off.}, language = {en} } @article{GrinsvenBonStrauvenetal.2012, author = {Grinsven, Bart van and Bon, Natalie vanden and Strauven, Hannelore and Grieten, Lars and Murib, Mohammed and Jim{\´e}nez Monroy, Kathia L. and Janssens, Stoffel D. and Haenen, Ken and Sch{\"o}ning, Michael Josef and Vermeeren, Veronique and Ameloot, Marcel and Michiels, Luc and Thoelen, Ronald and Ceuninck, Ward de and Wagner, Patrick}, title = {Heat-Transfer Resistance at Solid-Liquid Interfaces: A Tool for The Detection of Single Nucleotide Polymorphisms in DNA.}, series = {ACS Nano}, volume = {6}, journal = {ACS Nano}, number = {3}, publisher = {ACS Publications}, address = {Washington, DC}, issn = {1936-086X}, doi = {10.1021/nn300147e}, pages = {2712 -- 2721}, year = {2012}, abstract = {In this article, we report on the heat-transfer resistance at interfaces as a novel, denaturation-based method to detect single-nucleotide polymorphisms in DNA. We observed that a molecular brush of double-stranded DNA grafted onto synthetic diamond surfaces does not notably affect the heat-transfer resistance at the solid-to-liquid interface. In contrast to this, molecular brushes of single-stranded DNA cause, surprisingly, a substantially higher heat-transfer resistance and behave like a thermally insulating layer. This effect can be utilized to identify ds-DNA melting temperatures via the switching from low- to high heat-transfer resistance. The melting temperatures identified with this method for different DNA duplexes (29 base pairs without and with built-in mutations) correlate nicely with data calculated by modeling. The method is fast, label-free (without the need for fluorescent or radioactive markers), allows for repetitive measurements, and can also be extended toward array formats. Reference measurements by confocal fluorescence microscopy and impedance spectroscopy confirm that the switching of heat-transfer resistance upon denaturation is indeed related to the thermal on-chip denaturation of DNA.}, language = {en} } @article{Grotendorst2012, author = {Grotendorst, Johannes}, title = {Supercomputer programmieren - ein besonderes Studienangebot in J{\"u}lich}, series = {Junge Wissenschaft. 27 (2012), H. 94}, journal = {Junge Wissenschaft. 27 (2012), H. 94}, publisher = {-}, isbn = {0179-8529}, pages = {12 -- 14}, year = {2012}, language = {de} } @article{Grotendorst2012, author = {Grotendorst, Johannes}, title = {IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems}, series = {Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1}, journal = {Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1}, publisher = {-}, pages = {104}, year = {2012}, language = {en} } @article{GutheilBergGrotendorst2012, author = {Gutheil, Inge and Berg, Tommy and Grotendorst, Johannes}, title = {Performance Analysis of Parallel Eigensolvers of two Libraries on BlueGene/P}, series = {Journal of Mathematics and Systems Science}, volume = {2}, journal = {Journal of Mathematics and Systems Science}, number = {4}, publisher = {David Publishing}, address = {Libertyville}, issn = {2159-5291}, doi = {10.17265/2159-5291/2012.04.003}, pages = {231 -- 236}, year = {2012}, abstract = {Many applications in computational science and engineering require the computation of eigenvalues and vectors of dense symmetric or Hermitian matrices. For example, in DFT (density functional theory) calculations on modern supercomputers 10\% to 30\% of the eigenvalues and eigenvectors of huge dense matrices have to be calculated. Therefore, performance and parallel scaling of the used eigensolvers is of upmost interest. In this article different routines of the linear algebra packages ScaLAPACK and Elemental for parallel solution of the symmetric eigenvalue problem are compared concerning their performance on the BlueGene/P supercomputer. Parameters for performance optimization are adjusted for the different data distribution methods used in the two libraries. It is found that for all test cases the new library Elemental which uses a two-dimensional element by element distribution of the matrices to the processors shows better performance than the old ScaLAPACK library which uses a block-cyclic distribution.}, language = {en} } @article{HasanKeilStaatetal.2012, author = {Hasan, Istabrak and Keil, Ludger and Staat, Manfred and Wahl, Gerhard and Bourauel, Christoph}, title = {Determination of the frictional coefficient of the implant-antler interface : experimental approach}, series = {Biomedical Engineering / Biomedizinische Technik}, volume = {57}, journal = {Biomedical Engineering / Biomedizinische Technik}, number = {5}, publisher = {De Gruyter}, address = {Berlin}, issn = {1862-278X}, pages = {359 -- 363}, year = {2012}, abstract = {The similar bone structure of reindeer antler to human bone permits studying the osseointegration of dental implants in the jawbone. As the friction is one of the major factors that have a significant influence on the initial stability of immediately loaded dental implants, it is essential to define the frictional coefficient of the implant-antler interface. In this study, the kinetic frictional forces at the implant-antler interface were measured experimentally using an optomechanical setup and a stepping motor controller under different axial loads and sliding velocities. The corresponding mean values of the static and kinetic frictional coefficients were within the range of 0.5-0.7 and 0.3-0.5, respectively. An increase in the frictional forces with increasing applied axial loads was registered. The measurements showed an evidence of a decrease in the magnitude of the frictional coefficient with increasing sliding velocity. The results of this study provide a considerable assessment to clarify the suitable frictional coefficient to be used in the finite element contact analysis of antler specimens.}, language = {en} }